elements listlengths 1 10 | nsites int32 1 444 | chemical_formula_anonymous stringlengths 1 18 | chemical_formula_reduced stringlengths 1 23 | chemical_formula_descriptive stringlengths 2 36 | nelements int8 1 10 | dimension_types listlengths 3 3 | nperiodic_dimensions int8 3 3 | lattice_vectors listlengths 3 3 | immutable_id stringlengths 6 13 | cartesian_site_positions listlengths 1 444 | species stringlengths 138 1.39k | species_at_sites listlengths 1 444 | last_modified stringlengths 19 19 | elements_ratios listlengths 1 10 | stress_tensor listlengths 0 3 | energy float64 -2,846.53 7.04k | magnetic_moments listlengths 0 444 | forces listlengths 0 444 | total_magnetization float64 -340.3 383 ⌀ | dos_ef float64 -14.23 392 ⌀ | functional stringclasses 1
value | cross_compatibility bool 2
classes | entalpic_fingerprint stringlengths 37 62 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"As",
"Cl",
"Cs",
"Sr"
] | 12 | A8B2CD | AsCl8CsSr2 | Cs1 Sr2 As1 Cl8 | 4 | [
1,
1,
1
] | 3 | [
[
6.61283348,
-0.00002885,
-0.00025921
],
[
0.04460107,
6.57172519,
0.0013676
],
[
0.01159776,
0.02174406,
9.23101316
]
] | agm004914779 | [
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0.00579888,
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[
3.3368457475045323,
3.299605464695506,
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[
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[
0,
0,
0
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[
1.0483131825619063,
5.086784341143933,
1.7606372077682653
... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sr", "attached"... | [
"Cs",
"Sr",
"Sr",
"As",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
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0.08333333333333333,
0.16666666666666666
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[
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0
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[
0.00403122,
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0.00025176
],
[
-0.00140858,
-0.00197... | 0 | 0 | pbe | true | a82745d346dee935464eff25b3979202_2_Cs1Sr2As1Cl8 |
[
"Be",
"P"
] | 15 | A3B2 | Be3P2 | Be9 P6 | 2 | [
1,
1,
1
] | 3 | [
[
5.58583892,
0,
0
],
[
-2.79291946,
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0
],
[
0,
0,
19.81142718
]
] | agm2000041903 | [
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[
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11.444340940279462
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[
2.7... | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"P",
"P",
"P",
"P",
"P",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be"
] | 2023-11-16 06:57:59 | [
0.6,
0.4
] | [
[
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0,
0
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[
0,
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0
],
[
0,
0,
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] | -55.947449 | [
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0,
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0,
0,
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0,
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0,
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] | [
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[
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[
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],
[
0,
0,
-0.01159898
],
[
0.00184591,
-0.00245412,
... | 0.000178 | 5.701326 | pbe | true | 08edac4b57b63853e13bc74065c57b0e_157_Be9P6 |
[
"Ba",
"Be",
"Sc"
] | 4 | A2BC | Ba2BeSc | Ba2 Sc1 Be1 | 3 | [
1,
1,
1
] | 3 | [
[
7.17349552,
0.00283689,
-0.00366578
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[
3.74922473,
6.11574687,
0.00366576
],
[
-4.728933,
-4.36680563,
3.16658502
]
] | agm004073902 | [
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3.0090368990812673,
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[
0.41007689725402585,
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],
[
3.437011448910103,
-0.9413582387350263,
1.581459615944727... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Be",
"Ba",
"Ba"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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],
[
0.01094988,
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]
] | -12.254083 | [
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0,
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0
] | [
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0
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0
],
[
-0.00460668,
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0
],
[
-0.0039883,
-0.00223413,
0
]
] | -0.001072 | 5.833875 | pbe | true | c6ca4396e7e48f10846a9c4fa3bbc195_44_Ba2Sc1Be1 |
[
"Be",
"Cd",
"Sc"
] | 5 | A3BC | BeCdSc3 | Sc3 Be1 Cd1 | 3 | [
1,
1,
1
] | 3 | [
[
4.8556479,
0,
0
],
[
0,
4.8556479,
0
],
[
0,
0,
4.8556479
]
] | agm002420191 | [
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2.42782395,
0,
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[
0,
0,
0
],
[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Sc",
"Sc",
"Be",
"Cd"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
3.2560754,
0,
0
],
[
0,
3.2560754,
0
],
[
0,
0,
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]
] | -22.776777 | [
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0.021,
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[
0,
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[
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],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.239746 | 9.719183 | pbe | true | 8a9b4dfcbc8a411e9891ae8766f47314_221_Sc3Be1Cd1 |
[
"Be",
"Li",
"Nb"
] | 12 | ABC | BeLiNb | Li4 Be4 Nb4 | 3 | [
1,
1,
1
] | 3 | [
[
5.65257388,
0,
0
],
[
0,
3.82090047,
0
],
[
0,
0,
7.47797455
]
] | agm003089979 | [
[
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[
1.4969347945903517,
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[
2.5176... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Be", "attached"... | [
"Be",
"Be",
"Be",
"Be",
"Nb",
"Nb",
"Nb",
"Nb",
"Li",
"Li",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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0.3333333333333333
] | [
[
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0,
0
],
[
0,
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0
],
[
0,
0,
2.0628054
]
] | -60.035255 | [
0,
0,
0,
0,
-0.001,
0,
0,
0,
0,
0,
0,
0
] | [
[
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0.00656689,
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[
0.00656689,
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[
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[
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0,
0.02238355
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[
0.00440116,
0,
0.02238355
],
[
0.00440116,
0,
... | 0 | 7.724684 | pbe | true | 07eb0f7e095fcffeb53b0a3d3aec69d1_62_Li4Be4Nb4 |
[
"Br",
"Na",
"Sc"
] | 11 | A7B2C2 | Br7Na2Sc2 | Na2 Sc2 Br7 | 3 | [
1,
1,
1
] | 3 | [
[
7.27631869,
0.17790902,
0.25673559
],
[
-0.60915966,
7.73377785,
-0.28556628
],
[
-0.60915966,
-2.98322765,
7.14095377
]
] | agm003326121 | [
[
3.028999685,
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5.09448284347522
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[
3.028999685,
4.68428280579809,
2.0176402365247808
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2.25347546952106
],
[
-0.07737404599917228,
3.366877424104932,
4.85864761047894
],
[
0.99312690... | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sc", "attached"... | [
"Na",
"Na",
"Sc",
"Sc",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.6363636363636364,
0.18181818181818182,
0.18181818181818182
] | [
[
0.76418024,
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[
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],
[
-0.02639976,
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]
] | -43.893698 | [
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0,
0.391,
0.391,
-0.003,
-0.003,
-0.003,
-0.003,
0.001,
0.001,
0.001
] | [
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0,
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[
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[
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0.00352307
],
[
0.00222535,
-0.00411349,
0.000935... | 1.028792 | 1.066203 | pbe | true | ed3300f51c0ae086f36a02c117620a9f_12_Na2Sc2Br7 |
[
"Ca",
"P",
"Re"
] | 4 | A2BC | CaP2Re | Ca1 Re1 P2 | 3 | [
1,
1,
1
] | 3 | [
[
5.43892261,
0.00246941,
-1e-8
],
[
2.81125386,
4.65604306,
-1e-8
],
[
-4.12508546,
-2.32925467,
2.67210177
]
] | agm004399148 | [
[
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[
0,
0,
0
],
[
1.4056283174999997,
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],
[
4.125088235,
2.329256235,
-1e-8
]
] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "P", "attached":... | [
"Ca",
"P",
"P",
"Re"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.4573352,
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[
0.04173698,
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],
[
0.00000247,
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]
] | -23.87528 | [
0.03,
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1.305
] | [
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0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.484854 | 2.882464 | pbe | true | 488d484b9366c73955db53a131227466_119_Ca1Re1P2 |
[
"Ce",
"In",
"Mg"
] | 10 | A2B2C | Ce2InMg2 | Ce4 Mg4 In2 | 3 | [
1,
1,
1
] | 3 | [
[
5.05540414,
0,
0
],
[
0,
7.30328615,
0
],
[
0,
0,
7.30328615
]
] | agm002219884 | [
[
0,
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0,
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[
2.52770207,
1.010495087300455,
4.662138162300455
],
[
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Mg", "attached"... | [
"Mg",
"Mg",
"Mg",
"Mg",
"Ce",
"Ce",
"Ce",
"Ce",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
3.617173,
0,
0
],
[
0,
2.5058117,
0
],
[
0,
0,
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]
] | -36.096395 | [
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-0.001,
0.652,
0.645,
0.645,
0.651,
-0.008,
-0.008
] | [
[
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0,
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[
0,
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[
0,
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[
0,
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[
0,
0.02779341,
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[
0,
-0.02779341,
... | 2.906314 | 15.438337 | pbe | true | 02de749bdb780402b4ddc76655384092_127_Ce4Mg4In2 |
[
"Ga",
"P",
"Y"
] | 4 | A2BC | GaPY2 | Y2 Ga1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
3.80835651,
0,
0
],
[
1.90417825,
3.29813348,
0
],
[
1.90417825,
1.09937783,
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]
] | agm001935899 | [
[
1.9041801552685889,
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6.225524474938481
],
[
5.7125328547314105,
3.2981323817125094,
3.0262676950615193
],
[
3.808356505,
2.1987556550000003,
4.625896085
],
[
0,
0,
0
]
] | [{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Y", "attached": n... | [
"Y",
"Y",
"P",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.8475899,
0,
0
],
[
0,
0.8475899,
0
],
[
0,
0,
0.60486376
]
] | -23.673306 | [
0,
0,
0,
0
] | [
[
0,
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],
[
0,
0,
-0.00225872
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000908 | 4.425817 | pbe | true | a4e75b3ab5fcd27e823a2d27a7d065dc_166_Y2Ga1P1 |
[
"Ga",
"Pm",
"Sm"
] | 12 | A3B2C | Ga2PmSm3 | Pm2 Sm6 Ga4 | 3 | [
1,
1,
1
] | 3 | [
[
7.02390097,
0,
0
],
[
0,
7.40677916,
0
],
[
-3.51195048,
-3.70338958,
7.2871716
]
] | agm003421107 | [
[
0,
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0
],
[
0,
0,
0
],
[
3.511950485,
1.85169479,
0
],
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0
],
[
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4.009146180340271
],
[
-0.0000035097013094229032,
1.85169849338958,
3.27802541965972... | [{"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ga", "attached"... | [
"Pm",
"Pm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Ga",
"Ga",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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... | -0.000994 | 15.206585 | pbe | true | 85694074ff12fc8645427a6644f66695_72_Pm2Sm6Ga4 |
[
"Co",
"Mg",
"Tm"
] | 19 | A15B2C2 | Co15Mg2Tm2 | Tm2 Mg2 Co15 | 3 | [
1,
1,
1
] | 3 | [
[
6.27395028,
-0.03278882,
0.78377694
],
[
0.6879072,
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0.78377694
],
[
-0.03679729,
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]
] | agm005549145 | [
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2.4457938659138305,
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4.47926632408617,
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[
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Tm", "attached"... | [
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"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.7894736842105263,
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] | [
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1.4,
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... | 20.342197 | 21.341473 | pbe | true | 8a0804cd21da3b37645c55a9bd4af21c_166_Tm2Mg2Co15 |
[
"Cs",
"H",
"I"
] | 10 | A5B4C | Cs5H4I | Cs5 H4 I1 | 3 | [
1,
1,
1
] | 3 | [
[
4.54672609,
1e-8,
1.03857807
],
[
1.92636907,
7.50790321,
2.03837348
],
[
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11.34065996
]
] | agm006127134 | [
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2.5648197247863025,
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[
3.7097843052136974,
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[
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[
3.9432356922906484,... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Cs", "attached": nu... | [
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"H",
"H",
"H",
"H",
"I"
] | 2023-11-16 06:57:59 | [
0.5,
0.4,
0.1
] | [
[
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[
0.01568915,
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[
-0.02256687,
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] | -23.397633 | [
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[
0.00001723,
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],
... | -0.000014 | 0 | pbe | true | 1a1f3325d78c9626d93b840d3da111cd_12_Cs5H4I1 |
[
"Cu",
"Ir",
"V"
] | 4 | A2BC | CuIrV2 | V2 Cu1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.01437998,
3.01437998
],
[
3.01437998,
0,
3.01437998
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[
3.01437998,
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0
]
] | agm002747193 | [
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[
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[
1.50718999,
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],
[
4.52156997,
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] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "V", "attached":... | [
"Ir",
"Cu",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0
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[
0,
0.863575,
0
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[
0,
0,
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] | -31.343643 | [
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0.875,
0.875
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.049269 | 5.439006 | pbe | true | 7b8532a8fdb3a6a645db5822e23e2205_225_V2Cu1Ir1 |
[
"Dy",
"Tb",
"Tm"
] | 13 | A7B4C2 | Dy2Tb4Tm7 | Tb4 Dy2 Tm7 | 3 | [
1,
1,
1
] | 3 | [
[
7.56569183,
-4.09446253,
1.42209314
],
[
-7.28436137,
12.77831494,
-0.22891083
],
[
0.97543432,
1.37355177,
6.44257572
]
] | agm005642774 | [
[
1.345852158275795,
7.8589716824178755,
4.813802521507203
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[
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2.1984251872814826,
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[
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4.080085032628757
],
[
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7.8886872969050845,
3.555672997371243
],
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tb",
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"Tb",
"Dy",
"Dy",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm"
] | 2023-11-16 06:57:59 | [
0.15384615384615385,
0.3076923076923077,
0.5384615384615384
] | [
[
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[
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2.8922007,
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[
0.07861311,
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] | -57.947454 | [
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0
] | [
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[
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[
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[
0.00205717,
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],
[
-0.00205717,
-0.000... | -0 | 22.653767 | pbe | true | b9d2fe0aba3800356688bbfd3616ba63_2_Tb4Dy2Tm7 |
[
"Ho",
"Se",
"Zn"
] | 10 | A5B4C | Ho5Se4Zn | Ho5 Zn1 Se4 | 3 | [
1,
1,
1
] | 3 | [
[
5.18497582,
0,
2.50085414
],
[
2.59248791,
6.4478581,
1.25042706
],
[
-0.20867925,
1e-8,
7.05803829
]
] | agm006091478 | [
[
5.528969569920696,
2.528501254700552,
8.42708336256973
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[
3.48776286698915,
5.188333762738866,
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[
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4.780934662817363
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[
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3.9193568552994478,
2.3875350872333505
],
[
2... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Zn", "attached"... | [
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Zn",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.5,
0.4,
0.1
] | [
[
0.4214654,
0,
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[
0,
0.43531746,
1e-8
],
[
-0.00668123,
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] | -52.846483 | [
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0,
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0,
0,
0,
0,
0,
0
] | [
[
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[
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[
0.00217484,
0,
0.00104898
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[
0.00029775,
0,
0.00014361... | -0.000002 | 2.840751 | pbe | true | 596aa1e470049d0c0ecd4a2ffd258d43_87_Ho5Zn1Se4 |
[
"I",
"Na",
"Tl"
] | 12 | A4BC | I4NaTl | Na2 Tl2 I8 | 3 | [
1,
1,
1
] | 3 | [
[
7.58958499,
0.01508179,
0
],
[
-0.20458698,
7.58684205,
0
],
[
0,
0,
10.51779365
]
] | agm005775902 | [
[
6.1689942653974965,
1.3951350446204318,
7.888345237499999
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[
1.2160037446025038,
6.206788795379568,
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[
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0
],
[
2.6264386511661715,
2.7035872683461375,
5.258896825
],
[
1.2943917725406082,
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "I", "attached":... | [
"Na",
"Na",
"Tl",
"Tl",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
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0
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[
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0
],
[
0,
0,
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] | -26.732196 | [
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0,
0,
0,
0,
0,
0,
0,
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0,
0,
0
] | [
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[
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[
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[
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[
0.00138227,
0.00117598,
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],
[
-0... | 0 | 0 | pbe | true | 4a508f14b0c2c9fddc3e064236b04173_20_Na2Tl2I8 |
[
"Ir",
"Pt",
"Y"
] | 4 | A2BC | Ir2PtY | Y1 Ir2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.642225,
0,
0
],
[
2.3211125,
4.02028478,
0
],
[
2.3211125,
1.34009493,
3.79036084
]
] | agm003953044 | [
[
0,
0,
0
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[
2.3211125,
1.3400949275,
0.94759021
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[
4.642225,
2.680189855,
1.89518042
],
[
6.9633375,
4.0202847825,
2.84277063
]
] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached":... | [
"Ir",
"Ir",
"Pt",
"Y"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
],
[
0,
5.4390287,
0
],
[
0,
0,
5.4390287
]
] | -30.828635 | [
0.432,
0.359,
0.023,
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] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.79335 | 5.705254 | pbe | true | fd9c810a828603bf9ee640264c145102_216_Y1Ir2Pt1 |
[
"Ir",
"Tb",
"Te"
] | 10 | A5B4C | IrTb4Te5 | Tb4 Te5 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.23545807,
0,
0
],
[
0,
8.50562015,
-0.41533824
],
[
-2.11772904,
-1.64391606,
9.19064082
]
] | agm003656984 | [
[
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6.665918773550838,
5.89052672029418
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[
2.117726891095548,
4.87714059437677,
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[
2.1177311299632597,
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2.88477585970582
],
[
0.0000021389044519999488,
1.9845634956232299,
-0.0934949095346586... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ir", "attached"... | [
"Tb",
"Tb",
"Tb",
"Tb",
"Te",
"Te",
"Te",
"Te",
"Te",
"Ir"
] | 2023-11-16 06:57:59 | [
0.1,
0.4,
0.5
] | [
[
0.40334758,
0,
0
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[
0,
0.41467223,
0.03671959
],
[
0,
0.03671967,
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]
] | -53.324726 | [
0,
0,
0,
0,
0,
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0,
0,
0,
0
] | [
[
0,
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[
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[
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[
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[
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[
0,
0.00033391,
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[
0,
-0.00033391,
... | 0.000059 | 5.932156 | pbe | true | 5bb96ad571482ee7a41d8179ce9115f5_12_Tb4Te5Ir1 |
[
"Nd",
"Tb",
"Th"
] | 7 | A4B2C | NdTb2Th4 | Tb2 Nd1 Th4 | 3 | [
1,
1,
1
] | 3 | [
[
3.55142662,
0,
-0.46862095
],
[
0,
3.56818295,
0
],
[
0.59704459,
0,
18.21619876
]
] | agm005965173 | [
[
3.16286329220151,
1.784091475,
10.27818576455638
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[
0.98560791779849,
1.784091475,
7.469392045443622
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[
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0,
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[
3.800810309162306,
1.784091475,
15.112838092169591
],
[
2.442805435993018,
0,
4.82124460172468
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Nd", "attached"... | [
"Tb",
"Tb",
"Nd",
"Th",
"Th",
"Th",
"Th"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.2857142857142857,
0.5714285714285714
] | [
[
0.50597507,
0,
0.00036348
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[
0,
0.44209513,
0
],
[
0.00036348,
0,
0.5086826
]
] | -43.100268 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00024949,
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[
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[
0,
0,
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[
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[
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[
0.00039033,
0,
0.00295807
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[
0.0003173,
0,
0.00240465
]
] | -0.000033 | 10.576007 | pbe | true | 633ea6ed06136b99cf5e862eff50d9fe_65_Tb2Nd1Th4 |
[
"Ni",
"Sc",
"Zn"
] | 8 | A2BC | Ni2ScZn | Sc2 Zn2 Ni4 | 3 | [
1,
1,
1
] | 3 | [
[
4.3835231,
0,
0
],
[
0,
4.55875262,
0
],
[
0,
0,
5.54842367
]
] | agm005643793 | [
[
2.19176155,
3.1389493573626326,
2.774211835
],
[
0,
1.4198032626373671,
0
],
[
0,
1.2612378569943765,
2.774211835
],
[
2.19176155,
3.2975147630056236,
0
],
[
2.19176155,
0.8528597826668947,
1.4105103337090308
],
[
2.19176155,
... | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Zn", "attached"... | [
"Sc",
"Sc",
"Zn",
"Zn",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-5.0366297,
0,
0
],
[
0,
-5.699416,
0
],
[
0,
0,
-5.6468415
]
] | -41.608136 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00208599,
0
],
[
0,
-0.00208599,
0
],
[
0,
0.00534305,
0
],
[
0,
-0.00534305,
0
],
[
0,
0.00052306,
0.00255419
],
[
0,
0.00052306,
-0.00255419
],
[
0,
-0.00052306,
0.00255419
],
[
0,
-0.000... | 0 | 4.498269 | pbe | true | 2b77a5cf5ec2702e6324510eb81d7eaf_59_Sc2Zn2Ni4 |
[
"Be",
"Er",
"Ti",
"Zn"
] | 4 | ABCD | BeErTiZn | Er1 Ti1 Be1 Zn1 | 4 | [
1,
1,
1
] | 3 | [
[
4.62041451,
0,
0
],
[
2.31020725,
4.00139634,
0
],
[
2.31020725,
1.33379878,
3.77255265
]
] | agm001293063 | [
[
6.9306217575,
4.00139634,
2.8294144875000002
],
[
2.3102072524999997,
1.33379878,
0.9431381625
],
[
0,
0,
0
],
[
4.620414504999999,
2.66759756,
1.886276325
]
] | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Zn", "attached"... | [
"Be",
"Zn",
"Ti",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.3296149,
0,
0
],
[
0,
1.3296149,
0
],
[
0,
0,
1.3296149
]
] | -17.462201 | [
0.011,
-0.008,
-0.569,
-0.129
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.835808 | 3.795444 | pbe | true | 015ebd3896348ae1c66ed19a67f5189e_216_Er1Ti1Be1Zn1 |
[
"Cl",
"Cr",
"Pd",
"S"
] | 5 | A2BCD | ClCrPdS2 | Cr1 Pd1 S2 Cl1 | 4 | [
1,
1,
1
] | 3 | [
[
4.5369075,
0,
0
],
[
0,
4.5369075,
0
],
[
0,
0,
4.72894961
]
] | agm001768264 | [
[
0,
0,
0
],
[
0,
2.26845375,
0
],
[
2.26845375,
0,
0
],
[
2.26845375,
2.26845375,
2.364474805
],
[
0,
0,
2.364474805
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pd", "attached": ... | [
"Cr",
"S",
"S",
"Pd",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
3.052936,
0,
0
],
[
0,
3.052936,
0
],
[
0,
0,
2.9763172
]
] | -24.029293 | [
2.43,
-0.245,
-0.245,
-0.562,
-0.017
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.374052 | 4.623218 | pbe | true | 8591e1430c651065dca31dbc22e5f162_123_Cr1Pd1S2Cl1 |
[
"Cl",
"P",
"Rh",
"Te"
] | 5 | A2BCD | Cl2PRhTe | Te1 P1 Rh1 Cl2 | 4 | [
1,
1,
1
] | 3 | [
[
5.30175345,
0,
0
],
[
0,
5.08350829,
0
],
[
0,
0,
5.30175345
]
] | agm001597946 | [
[
2.650876725,
2.541754145,
2.650876725
],
[
0,
0,
0
],
[
0,
2.541754145,
0
],
[
0,
0,
2.650876725
],
[
2.650876725,
0,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rh", "attached"... | [
"P",
"Te",
"Rh",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
0.6369673,
0,
0
],
[
0,
1.000695,
0
],
[
0,
0,
0.6369673
]
] | -15.434793 | [
1.02,
0.016,
-0.705,
0.039,
0.041
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.636778 | 3.676631 | pbe | true | f9eeda91ee6d1c96cbd7f2c407e936b0_123_Te1P1Rh1Cl2 |
[
"Ag",
"Cd",
"Cs"
] | 14 | A9B3C2 | Ag2Cd9Cs3 | Cs3 Cd9 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
4.89939537,
0,
1.24199228
],
[
2.22555541,
9.67270935,
1.50518645
],
[
0.06242854,
0.09712226,
10.03826032
]
] | agm005631027 | [
[
0,
0,
0
],
[
4.123677278992308,
2.9021222270582694,
4.302032743323626
],
[
3.063702041007691,
6.8677093829417295,
8.483406306676372
],
[
1.143991975,
4.884915805,
5.771723385
],
[
3.470638918586231,
0.212467660124408,
6.878119366854267
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cs", "attached"... | [
"Cs",
"Cs",
"Cs",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.6428571428571429,
0.21428571428571427
] | [
[
3.618618,
0.01860188,
-0.05017336
],
[
0.01860188,
3.829291,
-0.07338154
],
[
-0.05017336,
-0.07338154,
3.8038204
]
] | -17.012038 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00024591,
0.00091998,
0.00097004
],
[
0.00024591,
-0.00091998,
-0.00097004
],
[
0,
0,
0
],
[
-0.0001711,
-0.0010235,
0.00067497
],
[
0.0001711,
0.0010235,
-0.00067497
],
[
0.00023625,
0.00077976... | -0 | 7.464368 | pbe | true | 3d9b0a7516de88b0e7db0802d9da6fc4_71_Cs3Cd9Ag2 |
[
"Pm",
"Se",
"Te",
"Th"
] | 10 | A2BCD | PmSeTe2Th | Pm2 Th2 Te4 Se2 | 4 | [
1,
1,
1
] | 3 | [
[
4.38448916,
0,
0
],
[
0,
4.38448916,
0
],
[
0,
0,
15.61812438
]
] | agm004991045 | [
[
2.19224458,
0,
9.853741585087652
],
[
0,
2.19224458,
5.764382794912345
],
[
2.19224458,
0,
1.320207706722346
],
[
0,
2.19224458,
14.297916673277653
],
[
0,
2.19224458,
11.067729646995401
],
[
0,
2.19224458,
1.9713413684364... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached"... | [
"Pm",
"Pm",
"Th",
"Th",
"Te",
"Te",
"Te",
"Te",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.36530825,
0,
0
],
[
0,
0.36530825,
0
],
[
0,
0,
0.38106015
]
] | -57.012349 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00420828
],
[
0,
0,
-0.00420828
],
[
0,
0,
-0.00044626
],
[
0,
0,
0.00044626
],
[
0,
0,
0.00535198
],
[
0,
0,
-0.00528524
],
[
0,
0,
0.00528524
],
[
0,
0,
-0.00535198
],
[
0,... | -0.000041 | 4.755675 | pbe | true | a075b6f30e08e0f65fee759bab032679_129_Pm2Th2Te4Se2 |
[
"Er",
"Pr",
"Zn"
] | 4 | A2BC | ErPr2Zn | Pr2 Er1 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
5.47056918,
0,
0
],
[
2.73528459,
4.73765188,
0
],
[
2.73528459,
1.57921729,
4.46670103
]
] | agm001101499 | [
[
2.73528459,
1.5792172924999999,
1.1166752575
],
[
8.205853770000001,
4.737651877499999,
3.3500257725000004
],
[
5.47056918,
3.1584345849999997,
2.233350515
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Zn", "attached"... | [
"Pr",
"Pr",
"Zn",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.6974601,
0,
0
],
[
0,
0.6974601,
0
],
[
0,
0,
0.6974601
]
] | -15.322963 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00028 | 4.948353 | pbe | true | 15cfd5f8dc36f474790e13f2075b8da9_225_Pr2Er1Zn1 |
[
"Ga",
"Mg",
"Th"
] | 4 | A2BC | Ga2MgTh | Th1 Mg1 Ga2 | 3 | [
1,
1,
1
] | 3 | [
[
4.48546597,
0,
0
],
[
2.24273299,
3.88452748,
0
],
[
2.24273299,
1.29484249,
5.20767141
]
] | agm001952863 | [
[
4.485465975,
2.589684985,
2.603835705
],
[
6.728198962211275,
3.884527477788725,
3.4546787040648943
],
[
2.2427329877887248,
1.2948424922112756,
1.7529927059351058
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ga", "attached"... | [
"Mg",
"Ga",
"Ga",
"Th"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.7376612,
0,
0
],
[
0,
1.7376612,
0
],
[
0,
0,
1.7321733
]
] | -16.459689 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00462818
],
[
0,
0,
-0.00462818
],
[
0,
0,
0
]
] | -0.000003 | 2.010605 | pbe | true | 9e39189c09c88ac3ab67001ca2036b64_166_Th1Mg1Ga2 |
[
"As",
"Ca",
"La"
] | 4 | A2BC | As2CaLa | Ca1 La1 As2 | 3 | [
1,
1,
1
] | 3 | [
[
4.40845418,
-0.01835267,
0.01521428
],
[
2.21003454,
3.81451864,
0.01521428
],
[
2.19225899,
1.25741379,
6.78568404
]
] | agm004324292 | [
[
6.618860964062859,
3.7963794779938698,
0.0338069619579896
],
[
4.40500161093714,
2.5265763720061307,
3.4046778980420105
],
[
6.6080607825,
3.79018482,
5.112084449999999
],
[
2.2026869275000003,
1.26339494,
1.7040281499999999
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "La", "attached"... | [
"As",
"As",
"Ca",
"La"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.5199759,
-0.06226379,
-0.01731296
],
[
-0.06226379,
0.5928181,
-0.00993019
],
[
-0.01731305,
-0.00993024,
0.64745045
]
] | -20.985164 | [
0,
0,
0,
0
] | [
[
0.00190214,
0.00109101,
0.00327957
],
[
-0.00190214,
-0.00109101,
-0.00327957
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000019 | 4.555235 | pbe | true | 5d35f73d47db9ef44c3d0ad914c91c45_12_Ca1La1As2 |
[
"Ge",
"Pd",
"Te"
] | 4 | A2BC | Ge2PdTe | Ge2 Te1 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.43798438,
3.43798438
],
[
3.43798438,
0,
3.43798438
],
[
3.43798438,
3.43798438,
0
]
] | agm002678547 | [
[
1.71899219,
1.71899219,
1.71899219
],
[
5.15697657,
5.15697657,
5.15697657
],
[
3.43798438,
3.43798438,
3.43798438
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pd", "attached"... | [
"Ge",
"Ge",
"Te",
"Pd"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
7.454069,
0,
0
],
[
0,
7.454069,
0
],
[
0,
0,
7.454069
]
] | -16.662064 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.161605 | pbe | true | 04d905ed668bb48cfbd975dc7b0450d0_225_Ge2Te1Pd1 |
[
"Au",
"C",
"Pr"
] | 5 | A3BC | AuCPr3 | Pr3 Au1 C1 | 3 | [
1,
1,
1
] | 3 | [
[
5.10024894,
0,
0
],
[
0,
5.10024894,
0
],
[
0,
0,
5.10024894
]
] | agm001102850 | [
[
0,
2.55012447,
0
],
[
0,
0,
2.55012447
],
[
2.55012447,
0,
0
],
[
0,
0,
0
],
[
2.55012447,
2.55012447,
2.55012447
]
] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Au", "attached": ... | [
"Pr",
"Pr",
"Pr",
"C",
"Au"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.04001822,
0,
0
],
[
0,
0.04001822,
0
],
[
0,
0,
0.04001822
]
] | -27.712941 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00002 | 5.695554 | pbe | true | 3ce97f1cfaf45326a336d8b67b633546_221_Pr3Au1C1 |
[
"Au",
"K",
"La"
] | 4 | A2BC | AuK2La | K2 La1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
6.61554551,
0,
0
],
[
0,
4.6216146,
0
],
[
0,
0,
4.6216146
]
] | agm004125366 | [
[
3.307772755,
0,
2.3108073
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[
0,
0,
0
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[
0,
2.3108073,
2.3108073
],
[
3.307772755,
2.3108073,
0
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Au", "attached": ... | [
"Au",
"K",
"K",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.2634997,
0,
0
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[
0,
2.4499903,
0
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[
0,
0,
2.4499903
]
] | -10.151877 | [
0,
0,
0,
0.001
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.002612 | 3.828412 | pbe | true | e3de13ccad9d932d9dbe9cb51810d657_123_K2La1Au1 |
[
"Bi",
"O",
"Si"
] | 8 | A5B2C | Bi2O5Si | Si1 Bi2 O5 | 3 | [
1,
1,
1
] | 3 | [
[
5.44560009,
-0.00010386,
-0.0007808
],
[
0.00001919,
5.44640073,
-0.00060899
],
[
-2.72313776,
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4.21430158
]
] | agm003468452 | [
[
2.7221935731209426,
2.722702871412555,
4.023178458918428
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[
0.0008511774728486676,
2.723303128785008,
1.492821301101093
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[
2.7229394214487757,
0.000568474695269062,
1.492706112204316
],
[
4.244928425955901,
1.2008362178288625,
0.3392426685908306
],... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Si", "attached": ... | [
"Si",
"Bi",
"Bi",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.25,
0.625,
0.125
] | [
[
0.67827094,
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[
0.01043433,
0.4560985,
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[
-0.02310608,
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0.5953071
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] | -51.669402 | [
0,
0,
0,
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0,
0,
0
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[
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[
0.00133422,
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[
0.00099315,
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[
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0.00036991
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[
0.00335487,
0.00254437,
-0.00005815
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[
-0.0031438,
-0.002268... | 0 | 0 | pbe | true | a7a119f96b7bc630b0f8ccea970d960f_107_Si1Bi2O5 |
[
"As",
"Bi"
] | 12 | AB | AsBi | Bi6 As6 | 2 | [
1,
1,
1
] | 3 | [
[
8.18033229,
0,
0
],
[
0,
8.18033229,
0
],
[
0,
0,
8.18033229
]
] | agm004468605 | [
[
2.0450830725,
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0
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[
6.1352492175,
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0
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[
4.090166145,
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[
0,
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[
0,
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[
2.04508307... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}] | [
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"As",
"As",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
-0.04001813,
0,
0
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[
0,
-0.04001813,
0
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[
0,
0,
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] | -48.192774 | [
0,
0,
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0,
0,
0,
0,
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0,
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[
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[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],... | 0.000003 | 2.484184 | pbe | true | f1c732566448a251633ab8dcb9566cdf_223_Bi6As6 |
[
"La",
"Pt",
"Rh"
] | 6 | ABC | LaPtRh | La2 Pt2 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
5.49939186,
-0.02458234,
-0.07368691
],
[
-2.69364216,
4.79460186,
0.07368691
],
[
-2.73574546,
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4.49464275
]
] | agm003609604 | [
[
-1.3514038407848672,
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3.920041762979038
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[
1.4214080807848677,
3.9792023537539127,
0.5746009870209617
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[
0.035002120000000136,
1.58450551,
2.247321375
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[
-1.34682108,
2.39730093,
0.036843455
],
[
-2.71469381,
1.59679... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached"... | [
"La",
"La",
"Pt",
"Pt",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
6.3974786,
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[
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6.3853173,
0.08066831
],
[
-0.13714316,
0.08066831,
6.29992
]
] | -42.195893 | [
0,
0,
0,
0,
0,
0
] | [
[
0.00120363,
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[
-0.00120363,
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[
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 3.916897 | pbe | true | a5dbda00a1d11d1787f20556edcfbb2d_74_La2Pt2Rh2 |
[
"Br",
"Cd",
"K"
] | 4 | A2BC | Br2CdK | K1 Cd1 Br2 | 3 | [
1,
1,
1
] | 3 | [
[
7.56805564,
-0.00987658,
-0.00611517
],
[
6.08086377,
4.50540338,
-0.00611517
],
[
6.08086377,
2.00284617,
4.03575324
]
] | agm004360726 | [
[
19.574495975525174,
6.447226225865021,
3.99185495831097
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[
10.020178794474827,
3.300333229134979,
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[
4.932445795,
1.6245932425,
1.005880725
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[
14.797337385,
4.8737797275,
3.017642175
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Br", "attached": ... | [
"Br",
"Br",
"Cd",
"K"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.6482358,
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-0.03069881
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[
-0.04958151,
1.7824402,
-0.01011123
],
[
-0.03069881,
-0.01011123,
1.7925103
]
] | -9.160724 | [
0,
0,
0.001,
0
] | [
[
0.00310775,
0.0010236,
0.00063377
],
[
-0.00310775,
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-0.00063377
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.002049 | 3.448294 | pbe | true | 89a90293d2fd3e88eaa019ad4861790e_166_K1Cd1Br2 |
[
"Mn",
"Na"
] | 16 | AB | MnNa | Na8 Mn8 | 2 | [
1,
1,
1
] | 3 | [
[
11.0868,
0,
0
],
[
0,
11.0868,
0
],
[
0,
0,
2.77809
]
] | agm004461754 | [
[
1.699273836,
5.5434,
1.389045
],
[
9.387526164,
5.5434,
1.389045
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[
5.5434,
9.387526164,
1.389045
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[
5.5434,
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1.389045
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[
8.623534776,
0,
0
],
[
2.463265224,
0,
0
],
[
0,
2.463265224,
0
... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}] | [
"Na",
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"Na",
"Na",
"Na",
"Na",
"Na",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
1.8682578,
0,
0
],
[
0,
1.8682578,
0
],
[
0,
0,
0.89491063
]
] | -73.730023 | [
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3.399,
3.399,
3.399,
3.399,
-1.791,
-1.791,
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] | [
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0.00110594,
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[
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[
0,
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[
0,
-0.00064341,
0
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[
0,
0.00064341,
0
],
[
0.... | 6.564955 | 11.914804 | pbe | true | 210b1314988ef98518cd51b630d367ce_123_Na8Mn8 |
[
"Ag",
"Au",
"Cd"
] | 9 | A6B2C | Ag6AuCd2 | Cd2 Ag6 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
2.8683298,
0,
0.04401503
],
[
0,
8.1485634,
0
],
[
-0.7053531,
-4.07428171,
7.32163373
]
] | agm003481460 | [
[
1.087179866335822,
4.074285770700107,
2.642871106313462
],
[
1.075796833664178,
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4.7227776536865385
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[
2.611348803936483,
1.4499245258262377,
2.4284679325975596
],
[
-0.4483721039364829,
-2.624357096173542,
4.9371808274024405
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ag", "attached"... | [
"Cd",
"Cd",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Au"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.1111111111111111,
0.2222222222222222
] | [
[
8.419589,
0,
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[
0,
8.307982,
-1e-8
],
[
-0.02714675,
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8.433201
]
] | -22.03317 | [
0,
0,
0,
0,
0,
0,
0,
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0
] | [
[
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[
0.00130534,
0,
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[
0.00210198,
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[
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[
-0.00210198,
0.00084152,
0.0002326
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[
0,
-0.00224049,
0
],
[
0.002... | -0.000001 | 1.74735 | pbe | true | 00b9cf60a69963ed12ef7a037186352a_12_Cd2Ag6Au1 |
[
"Pd",
"Ru",
"Sm"
] | 12 | A3B2C | Pd2RuSm3 | Sm6 Pd4 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
4.99239771,
0.00890676,
0.01979879
],
[
2.50955537,
7.45835433,
0.00995167
],
[
-0.02850779,
-1.7e-7,
7.17609409
]
] | agm005708544 | [
[
4.975689092741053,
2.533054251288418,
5.465502431467964
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[
2.4889872616667525,
0.0044568880704945,
1.758122951376349
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[
2.497756197258947,
4.934206668711582,
1.7403421185320356
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[
4.9899135552683225,
2.5330590500857424,
1.7502337471732192
],
[
... | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sm", "attached"... | [
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Pd",
"Pd",
"Pd",
"Pd",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.5
] | [
[
2.8291368,
0.0337425,
0.00077459
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[
0.03374252,
2.8404348,
0.0000469
],
[
0.00077496,
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2.6918573
]
] | -75.066772 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
0.00067067,
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[
0.00057659,
0.00138471,
0.00170688
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[
0.00042867,
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0.00169469
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[
-0.00042867,
0.00138538,
-0.00169469
],
[
-0.00067067,
0.000... | -0.000001 | 5.999414 | pbe | true | ad95bbcc9430b26c05500613555886f9_10_Sm6Pd4Ru2 |
[
"Pm",
"Pr",
"Tb"
] | 13 | A6B6C | Pm6Pr6Tb | Tb1 Pm6 Pr6 | 3 | [
1,
1,
1
] | 3 | [
[
6.81701372,
-0.00037195,
0
],
[
-3.40799658,
5.90399872,
0
],
[
0,
0,
11.61227989
]
] | agm003695462 | [
[
0,
0,
0
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[
0,
0,
7.523388861534964
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[
0,
0,
4.088891028465037
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[
0.000176654668602357,
3.9359695939015817,
0
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[
3.408840485331398,
1.9676571760984178,
0
],
[
0.00018708417910838474,
3.9359635714434984,
5.806139945
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pm", "attached"... | [
"Tb",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr"
] | 2023-11-16 06:57:59 | [
0.46153846153846156,
0.46153846153846156,
0.07692307692307693
] | [
[
1.3389876,
0.00004268,
0
],
[
0.00004268,
1.3390355,
0
],
[
0,
0,
1.2964865
]
] | -58.199235 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
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[
0,
0,
0.0022406
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
0,
0.00658448
],
[
0,
0,
0.00658448
],
[
0,
0,
... | 0.001224 | 25.0828 | pbe | true | 69c51f5443cc0fa2c35c7871fc84a92a_191_Tb1Pm6Pr6 |
[
"Ag",
"P",
"Th"
] | 4 | A2BC | AgPTh2 | Th2 Ag1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
4.01895994,
0,
0
],
[
2.00947997,
3.48052141,
0
],
[
2.00947997,
1.1601738,
7.73750667
]
] | agm005116293 | [
[
2.0094799499052005,
1.1601737891153354,
6.07299829588586
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[
2.0094799900948,
1.1601738142091078,
1.685144613903297
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[
4.018959919905201,
2.320347593400585,
3.8633612213518105
],
[
6.02843792061483,
3.480520258101172,
7.722254806352363
]
] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Th",
"Th",
"Ag",
"P"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.6834624,
0,
0
],
[
0,
1.6834624,
0
],
[
0,
0,
1.8899683
]
] | -25.756397 | [
0,
0,
0,
0
] | [
[
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[
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[
0,
0,
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]
] | 0.000076 | 3.133221 | pbe | true | 47af381fd6451d6e4b473c242a832c7f_160_Th2Ag1P1 |
[
"Al",
"Au",
"Fe"
] | 4 | A2BC | Al2AuFe | Al2 Fe1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
4.68399821,
0.01888569,
-0.01404711
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[
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[
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] | agm004117325 | [
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Au", "attached"... | [
"Au",
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"Al"
] | 2023-11-16 06:57:59 | [
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[
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[
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] | 0.907107 | 2.442659 | pbe | true | d83e0c6e6c7b331671f9d51dbb2a8151_139_Al2Fe1Au1 |
[
"Au",
"Ba",
"Te"
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1,
1,
1
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[
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0,
0
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[
-4.30889406,
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[
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] | agm001036855 | [
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[
-2.60... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Au", "attached"... | [
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"Te",
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"Te",
"Au",
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"Au",
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] | 2023-11-16 06:57:59 | [
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... | -0.000017 | 9.545304 | pbe | true | ee0003a454302fdc2d8ab0aff116eafc_189_Ba6Te6Au6 |
[
"Au",
"Cd",
"Hg"
] | 18 | A5B3C | Au3Cd5Hg | Cd10 Hg2 Au6 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
0,
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] | agm003563520 | [
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... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Au", "attached"... | [
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"Hg",
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] | 2023-11-16 06:57:59 | [
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[
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[
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... | 0 | 4.93518 | pbe | true | cdf912e077bac400695d9e342fa0392d_63_Cd10Hg2Au6 |
[
"Bi",
"Cs",
"Na"
] | 5 | A2B2C | Bi2Cs2Na | Cs2 Na1 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.22754513,
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[
0,
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] | agm005842006 | [
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[
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-0.7916... | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Cs", "attached"... | [
"Cs",
"Cs",
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"Bi",
"Bi"
] | 2023-11-16 06:57:59 | [
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[
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[
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[
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[
0,
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]
] | 0 | 3.727601 | pbe | true | e9c66bcf9d56c8ac6e3be4286b747246_38_Cs2Na1Bi2 |
[
"Au",
"In",
"Zn"
] | 4 | A2BC | AuIn2Zn | Zn1 In2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
8.8661999,
0.01398769,
0.00829075
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[
8.19090465,
3.39393244,
0.00829075
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[
8.19090465,
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] | agm004056662 | [
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19.121151561383968,
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[
12.416272312145436,
2.48070616214543,
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"Au",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -10.188795 | [
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[
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[
0.00319567,
0.00063848,
0.00037844
]
] | 0 | 0.867075 | pbe | true | 736ee8b11b540a2ec86b3399a23d595a_160_Zn1In2Au1 |
[
"Au",
"N",
"Rb"
] | 7 | A3B2C2 | Au2N2Rb3 | Rb3 Au2 N2 | 3 | [
1,
1,
1
] | 3 | [
[
5.67969283,
-0.00039494,
-1.09102698
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[
-0.18243219,
4.47136513,
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[
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] | agm005552008 | [
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[
3.989594051203038,
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... | [{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Au", "attached": ... | [
"Rb",
"Rb",
"Rb",
"Au",
"Au",
"N",
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] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.2857142857142857,
0.42857142857142855
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[
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[
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] | -27.027961 | [
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[... | 0.755423 | 3.347912 | pbe | true | 41783810b9b260003b7a6615e3b5c9dc_12_Rb3Au2N2 |
[
"Be",
"Cl",
"Co"
] | 4 | A2BC | BeCl2Co | Be1 Co1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.04268798,
0,
0
],
[
0,
3.04268798,
0
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[
0,
0,
6.1132018
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] | agm004093614 | [
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[
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6.084653575518125
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[
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached"... | [
"Be",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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[
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] | -12.215792 | [
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[
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[
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[
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] | 1.318236 | 4.893842 | pbe | true | 75f84fc43058e7552f82acd42ff17e62_123_Be1Co1Cl2 |
[
"Ca",
"N",
"Sr",
"W"
] | 16 | A4B2CD | Ca2N4SrW | Sr2 Ca4 W2 N8 | 4 | [
1,
1,
1
] | 3 | [
[
5.6477107,
0,
0
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[
0,
6.52632102,
0
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[
0,
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] | agm004782173 | [
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[
2.708710501973684,
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[
5.5325658519736844,
... | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
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"N",
"N",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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] | -120.76993 | [
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[
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[
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[
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[
-0.00048885,
0.00132051,
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],... | 0 | 0 | pbe | true | 04caf9bef442aca6f42cc3100b36ea54_31_Sr2Ca4W2N8 |
[
"Cl",
"Fe",
"Hg",
"Re"
] | 5 | A2BCD | ClFeHg2Re | Fe1 Re1 Hg2 Cl1 | 4 | [
1,
1,
1
] | 3 | [
[
5.13799646,
0,
0
],
[
0,
4.43416259,
0
],
[
0,
0,
5.13799646
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] | agm001487219 | [
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[
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[
0,
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[
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached"... | [
"Re",
"Cl",
"Hg",
"Hg",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
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0.4,
0.2
] | [
[
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[
0,
5.7743187,
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[
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] | -18.534973 | [
2.21,
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[
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[
0,
0,
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[
0,
0,
0
]
] | 1.851245 | 3.581094 | pbe | true | 32a866fcb6f78f07fac3b1a06bec2079_123_Fe1Re1Hg2Cl1 |
[
"Cl",
"Ga",
"Na",
"P"
] | 5 | A2BCD | ClGaNaP2 | Na1 Ga1 P2 Cl1 | 4 | [
1,
1,
1
] | 3 | [
[
5.12551652,
0,
0
],
[
0,
5.12551652,
0
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[
0,
0,
5.24575586
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] | agm001758063 | [
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[
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[
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[
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ga", "attached"... | [
"P",
"P",
"Na",
"Ga",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
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0.4
] | [
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[
0,
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[
0,
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] | -13.109196 | [
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] | 2.580832 | 2.411856 | pbe | true | 7cd5204282141b339135f806e0940f68_123_Na1Ga1P2Cl1 |
[
"Cs",
"F",
"In",
"Pd"
] | 18 | A12B3C2D | Cs2F12In3Pd | Cs2 In3 Pd1 F12 | 4 | [
1,
1,
1
] | 3 | [
[
7.79278821,
-0.14900365,
-0.10568685
],
[
3.71892156,
6.84977172,
-0.10568685
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[
3.71892156,
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] | agm004498103 | [
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[
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3... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Pd", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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[
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-0.0022... | 1.000866 | 6.807189 | pbe | true | 1d00822bcacb0b2efa2a3ca905a7aa5e_166_Cs2In3Pd1F12 |
[
"Ga",
"Mg",
"Pt",
"Rb"
] | 5 | A2BCD | GaMg2PtRb | Rb1 Mg2 Ga1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
5.21884475,
0,
0
],
[
0,
5.21884475,
0
],
[
0,
0,
4.90890239
]
] | agm001618109 | [
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[
0,
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[
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[
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] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pt", "attached"... | [
"Mg",
"Mg",
"Ga",
"Rb",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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] | -14.985615 | [
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[
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[
0,
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[
0,
0,
0
]
] | 0 | 1.330646 | pbe | true | b1ff8105d15dd7467c41a6a29ed2c436_123_Rb1Mg2Ga1Pt1 |
[
"Br",
"H",
"Os"
] | 5 | A3BC | BrHOs3 | H1 Os3 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
4.01142679,
0,
0
],
[
0,
4.01142679,
0
],
[
0,
0,
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] | agm002489581 | [
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[
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[
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Os", "attached": ... | [
"H",
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"Os",
"Os",
"Br"
] | 2023-11-16 06:57:59 | [
0.2,
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[
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] | -31.448503 | [
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[
0,
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[
0,
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[
0,
0,
0
]
] | 0 | 2.349271 | pbe | true | 5b88316f038c7887652da71eadcd34a1_221_H1Os3Br1 |
[
"Ce",
"Sc",
"Th"
] | 8 | A6BC | CeSc6Th | Ce1 Th1 Sc6 | 3 | [
1,
1,
1
] | 3 | [
[
4.72952628,
0,
0
],
[
0,
6.59121969,
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[
0,
0.7217368,
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] | agm005750860 | [
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[
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[
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5.479885038980973,
4.3... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Th", "attached"... | [
"Ce",
"Th",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
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] | 2023-11-16 06:57:59 | [
0.125,
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[
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[
0,
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[
0,
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] | -50.920701 | [
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0.007,
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[
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[
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[
0,
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[
0,
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]
] | 0.46103 | 16.603508 | pbe | true | 886be6be30ddf092c6c1dfcdd5b85b32_123_Ce1Th1Sc6 |
[
"I",
"Sb",
"Sr",
"Zr"
] | 5 | A2BCD | I2SbSrZr | Sr1 Zr1 Sb1 I2 | 4 | [
1,
1,
1
] | 3 | [
[
6.0137234,
0,
0
],
[
0,
6.0137234,
0
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[
0,
0,
6.50107635
]
] | agm001713031 | [
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[
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[
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached":... | [
"I",
"I",
"Sb",
"Zr",
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] | 2023-11-16 06:57:59 | [
0.4,
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[
0,
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[
0,
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] | -15.696972 | [
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1.495,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.013217 | 4.69238 | pbe | true | e1735a2e96d5cea68ca4f54f984593a7_123_Sr1Zr1Sb1I2 |
[
"Cd",
"Nd",
"Sn"
] | 12 | ABC | CdNdSn | Nd4 Cd4 Sn4 | 3 | [
1,
1,
1
] | 3 | [
[
4.17993695,
0,
0
],
[
0,
7.53739624,
0
],
[
0,
0,
11.35194452
]
] | agm001020222 | [
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[
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[
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3.0... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Nd", "attached"... | [
"Cd",
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"Cd",
"Cd",
"Sn",
"Sn",
"Sn",
"Sn",
"Nd",
"Nd",
"Nd",
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] | 2023-11-16 06:57:59 | [
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[
0,
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[
0,
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] | -42.528788 | [
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[
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[
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... | -0.000014 | 7.167139 | pbe | true | 36f87d884a384b9896a8679e16ccb140_62_Nd4Cd4Sn4 |
[
"Cr",
"Rb",
"Se"
] | 20 | A6B3C | Cr3RbSe6 | Rb2 Cr6 Se12 | 3 | [
1,
1,
1
] | 3 | [
[
3.63265082,
3e-8,
-2e-8
],
[
0.00000106,
11.64410142,
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[
-6e-8,
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11.56867939
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] | agm006048429 | [
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[... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rb", "attached"... | [
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] | 2023-11-16 06:57:59 | [
0.3,
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0.6
] | [
[
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6e-8,
0
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[
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[
0,
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] | -112.90545 | [
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[
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... | 13.983169 | 9.365354 | pbe | true | df706eb0bb127d0d4a3f2c8341a8faf9_11_Rb2Cr6Se12 |
[
"Cs",
"P",
"Zn"
] | 12 | A3B2C | Cs3P2Zn | Cs6 Zn2 P4 | 3 | [
1,
1,
1
] | 3 | [
[
7.69832335,
3e-8,
-3.19605739
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[
-1.19567366,
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[
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] | agm005858062 | [
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[
7.063853609988417,
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],... | [{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Cs", "attached": ... | [
"Cs",
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"Cs",
"Cs",
"Cs",
"Cs",
"Zn",
"Zn",
"P",
"P",
"P",
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] | 2023-11-16 06:57:59 | [
0.5,
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[
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] | -31.640004 | [
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[
0,
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[
0,
0,
0
],
... | 0.871854 | 6.821625 | pbe | true | 4b2456013c714a4f701eb2eb0c015af7_72_Cs6Zn2P4 |
[
"Cu",
"Fe",
"Re"
] | 4 | A2BC | CuFe2Re | Fe2 Cu1 Re1 | 3 | [
1,
1,
1
] | 3 | [
[
8.5522211,
0.00616066,
0.00361536
],
[
8.14235872,
2.61582075,
0.00361536
],
[
8.14235872,
1.27880507,
2.28192657
]
] | agm003844768 | [
[
6.286167797235806,
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[
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[
12.317670541890493,
1.9345622101338384,
1.1352882832711182
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... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Cu", "attached"... | [
"Cu",
"Fe",
"Fe",
"Re"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
0.07363117,
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[
0.04321009,
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]
] | -32.600708 | [
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[
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[
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[
0.00647109,
0.00101632,
0.00059642
]
] | 3.377525 | 3.130605 | pbe | true | b0f1b2e4708acd09cfb75fc5f11e0bf6_160_Fe2Cu1Re1 |
[
"Dy",
"Er",
"Pt"
] | 11 | A4B4C3 | Dy4Er3Pt4 | Dy4 Er3 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
3.78452798,
0,
0
],
[
0,
8.74144807,
0
],
[
-1.89226399,
-4.37072403,
8.15224729
]
] | agm003377438 | [
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1.89226586334135,
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[
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5.455831253725027... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pt", "attached"... | [
"Dy",
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"Er",
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"Pt"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.2727272727272727,
0.36363636363636365
] | [
[
0.37101042,
0,
0
],
[
0,
2.2452724,
0
],
[
0,
0,
2.6209962
]
] | -66.386356 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.01428783,
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],
[
0,
-0.01428783,
0.01686096
],
[
0,
0.01428783,
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[
0,
0.01428783,
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[
0,
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[
0,
0,
-0.04433375
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[
0,
0,
0
],
[
0,
0,
... | 0.000013 | 8.117618 | pbe | true | 63cef6c632a6ea0d8a752df8ac7d565d_71_Dy4Er3Pt4 |
[
"Ca",
"Cl",
"Si"
] | 4 | A2BC | CaCl2Si | Ca1 Si1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.29799553,
0.01005671,
0
],
[
-0.01077809,
3.29799325,
0
],
[
0,
0,
12.15340767
]
] | agm003859216 | [
[
1.64360872,
1.6540249800000002,
9.1150557525
],
[
0,
0,
10.709896518255963
],
[
0,
0,
7.520214986744037
],
[
1.64360872,
1.6540249800000002,
3.0383519175
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Si", "attached"... | [
"Ca",
"Cl",
"Cl",
"Si"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-0.1144422,
0.02171139,
0
],
[
0.02171139,
-0.11416788,
0
],
[
0,
0,
0.107203
]
] | -14.704441 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
-0.00035866
],
[
0,
0,
0.00035866
],
[
0,
0,
0
]
] | 0.001189 | 1.687641 | pbe | true | c0929db3c259af588688293a5e0aeda2_123_Ca1Si1Cl2 |
[
"Ca",
"H",
"Pu"
] | 15 | A10B4C | Ca4H10Pu | Ca4 Pu1 H10 | 3 | [
1,
1,
1
] | 3 | [
[
3.74947129,
0,
0.46073445
],
[
1.84642837,
3.26331641,
0.46073446
],
[
-0.04069295,
-0.02373106,
15.81819224
]
] | agm006010980 | [
[
2.2060069080968865,
1.2864591672791064,
13.021517654622171
],
[
4.452388486616142,
2.5964637859030866,
10.227417907345808
],
[
1.1028182233838575,
0.6431215640969132,
6.5122432426541925
],
[
3.3491998019031133,
1.9531261827208937,
3.7181434953778285
],... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pu", "attached": ... | [
"Ca",
"Ca",
"Ca",
"Ca",
"Pu",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H"
] | 2023-11-16 06:57:59 | [
0.26666666666666666,
0.6666666666666666,
0.06666666666666667
] | [
[
8.34297,
0.00520614,
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],
[
0.00520614,
8.337075,
-0.04236365
],
[
-0.07264426,
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8.925228
]
] | -63.651186 | [
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0,
0,
0.017,
5.296,
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0,
0,
-0.025,
0,
-0.025,
0,
0,
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0
] | [
[
0.0006729,
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[
0.00032601,
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[
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[
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[
0,
0,
0
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[
0.00048297,
0.00028165,
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],
[
... | 5.860912 | 4.635593 | pbe | true | e2d288bab8ca8db180c73179a0d6ea89_166_Ca4Pu1H10 |
[
"Dy",
"Pm",
"S"
] | 7 | A3B2C2 | Dy2Pm2S3 | Pm2 Dy2 S3 | 3 | [
1,
1,
1
] | 3 | [
[
3.89866762,
-0.00249935,
-0.00226093
],
[
-1.94141158,
6.41845332,
-0.99897953
],
[
0.00220289,
-0.07398785,
6.86075505
]
] | agm005551557 | [
[
1.9523176274316758,
4.768169936556395,
3.500433017728227
],
[
0.007141302568323814,
1.5737961834436056,
2.359081572271773
],
[
1.9541531722996548,
1.5699881874550243,
5.805549307568534
],
[
0.0053057577003451425,
4.771977932544976,
0.05396528243146553
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pm", "attached": ... | [
"Pm",
"Pm",
"Dy",
"Dy",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.2857142857142857,
0.42857142857142855
] | [
[
0.3708075,
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[
0.00765432,
0.20579723,
-0.03962749
],
[
0.00399156,
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0.18650939
]
] | -43.147773 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00025085,
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-0.00145636
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[
0.00025085,
0.00302135,
0.00145636
],
[
0.00019505,
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0.00002125
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[
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-0.00002125
],
[
0,
0,
0
],
[
-0.00021349,
-0.00146979,
-0.00193256
],
... | -0.000001 | 3.34784 | pbe | true | 583a72731dc74ed9cf2f3416239e4085_2_Pm2Dy2S3 |
[
"Ca",
"Pr",
"Tl"
] | 12 | A3B2C | CaPr3Tl2 | Ca2 Pr6 Tl4 | 3 | [
1,
1,
1
] | 3 | [
[
5.59258164,
0,
0
],
[
-2.79629082,
9.90149046,
-0.61149189
],
[
0,
-5.09560666,
7.59396894
]
] | agm003423330 | [
[
2.7962935883279116,
2.2891013482677787,
6.61544946375027
],
[
-0.0000027683279118463887,
2.5167824517322206,
0.36702758624973025
],
[
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3.0238073870254594,
4.314837017284756
],
[
2.7962908199999994,
5.6942095850938115,
4.08594338651... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ca", "attached"... | [
"Ca",
"Ca",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Tl",
"Tl",
"Tl",
"Tl"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
0.3333333333333333
] | [
[
2.2335048,
0,
0
],
[
0,
2.136868,
-0.05007225
],
[
0,
-0.05007239,
2.1666367
]
] | -44.288333 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
0.00211491,
-0.00126485
],
[
0,
0.00121015,
0.00179801
],
[
0,
0.00165424,
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[
0,
-0.00072967,
-0.00302492
],
[
0,
0.00072967,
0.00302492
],
[
0,
-0.00165424,
... | 0 | 11.060693 | pbe | true | 10c9d7fbde6e51c0fe25f02e416de941_12_Ca2Pr6Tl4 |
[
"Er",
"Pb",
"Pd"
] | 20 | A15B4C | ErPb4Pd15 | Er1 Pd15 Pb4 | 3 | [
1,
1,
1
] | 3 | [
[
4.10867793,
0,
0
],
[
0,
4.10867793,
0
],
[
0,
0,
20.55158564
]
] | agm006040130 | [
[
0,
0,
0
],
[
2.054338965,
2.054338965,
0
],
[
2.054338965,
2.054338965,
4.117060514280197
],
[
2.054338965,
2.054338965,
8.219016846210131
],
[
2.054338965,
2.054338965,
12.332568793789866
],
[
2.054338965,
2.054338965,
16... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pd", "attached"... | [
"Er",
"Pd",
"Pd",
"Pd",
"Pd",
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"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pb",
"Pb",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.05,
0.2,
0.75
] | [
[
6.987524,
0,
0
],
[
0,
6.987524,
0
],
[
0,
0,
6.56829
]
] | -105.568628 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
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0
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[
0,
0,
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[
0,
0,
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[
0,
0,
0.00400274
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[
0,
0,
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[
0,
0,
0.00646735
],
[
0,
0,
0.00070574
],
[
0,
0,
0
],
... | 0 | 4.899279 | pbe | true | db4c0dfe5148dd34f540091ad4c42539_123_Er1Pd15Pb4 |
[
"H",
"Na",
"Tl"
] | 4 | A2BC | HNa2Tl | Na2 Tl1 H1 | 3 | [
1,
1,
1
] | 3 | [
[
3.47719124,
0.00235177,
-0.00162787
],
[
1.74063231,
3.01016007,
-0.00162787
],
[
1.73540993,
1.00193939,
8.22280891
]
] | agm005113013 | [
[
1.7369910815449294,
1.002852268820911,
6.802780558580731
],
[
1.7382884361204458,
1.0036012989153595,
1.4172865238904575
],
[
3.475684089190289,
2.0066871488043625,
4.104631724593311
],
[
3.478884895088504,
2.0085351365393707,
0.0046228073546791
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "H", "attached":... | [
"Na",
"Na",
"Tl",
"H"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
4.345517,
0.00619166,
0.00444045
],
[
0.00619166,
4.3383675,
0.00256369
],
[
0.00444058,
0.00256377,
4.0708203
]
] | -8.73927 | [
0,
0,
0,
0
] | [
[
-0.0006901,
-0.00039843,
0.00344176
],
[
0.00119646,
0.00069078,
-0.00366678
],
[
-0.00113373,
-0.00065456,
0.00153001
],
[
0.00062737,
0.00036221,
-0.001305
]
] | -0.000001 | 1.017255 | pbe | true | 85bcd30b795a228ac3502466be39865a_160_Na2Tl1H1 |
[
"Ce",
"Tl",
"Tm"
] | 7 | A4B2C | Ce2Tl4Tm | Ce2 Tm1 Tl4 | 3 | [
1,
1,
1
] | 3 | [
[
6.18192454,
-0.22841996,
-2.31496978
],
[
-3.14734884,
5.46270262,
-1.96990464
],
[
-0.13160509,
0.22841995,
6.5998453
]
] | agm006061691 | [
[
3.09096227,
-0.11420998,
-1.15748489
],
[
1.451485305,
2.731351305,
1.1574854399999999
],
[
-0.065802545,
0.114209975,
3.29992265
],
[
-1.57367442,
2.73135131,
-0.98495232
],
[
0,
0,
0
],
[
1.51728785,
2.61714133,
-2.14243... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tl",
"Tl",
"Tl",
"Tl",
"Tm",
"Ce",
"Ce"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] | [
[
2.4356332,
0.13921256,
0.1132548
],
[
0.13921256,
2.2742157,
-0.19657063
],
[
0.1132548,
-0.19657063,
2.3559232
]
] | -26.634921 | [
0.016,
0.016,
0.016,
0.016,
0.14,
0.89,
0.89
] | [
[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.479258 | 18.145811 | pbe | true | 36f4adc26ae7732a18100ddee2b71130_139_Ce2Tm1Tl4 |
[
"Hf",
"Pd",
"Sn"
] | 10 | A2B2C | Hf2Pd2Sn | Hf4 Sn2 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
7.9150711,
0,
0
],
[
0,
7.9150711,
0
],
[
0,
0,
3.21606985
]
] | agm003008866 | [
[
2.686964645835528,
6.644500195835528,
0
],
[
6.644500195835528,
5.228106454164472,
0
],
[
5.228106454164472,
1.270570904164472,
0
],
[
1.270570904164472,
2.686964645835528,
0
],
[
0,
0,
0
],
[
3.95753555,
3.95753555,
0
]... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pd", "attached"... | [
"Hf",
"Hf",
"Hf",
"Hf",
"Sn",
"Sn",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
6.3255234,
0,
0
],
[
0,
6.3255234,
0
],
[
0,
0,
-1.0961494
]
] | -72.803581 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.019759,
0.019759,
0
],
[
0.019759,
-0.019759,
0
],
[
-0.019759,
-0.019759,
0
],
[
-0.019759,
0.019759,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00197766,
0.00197766,
0
],
[
0.00197766,
-0.00197766,
... | 0 | 7.740088 | pbe | true | ac0860dd8ee5604989650e8e456dd3f7_127_Hf4Sn2Pd4 |
[
"Hg",
"Pt",
"Rh"
] | 4 | A2BC | Hg2PtRh | Hg2 Pt1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
3.70520915,
0,
0
],
[
0,
4.37666328,
0
],
[
0,
0,
4.37731038
]
] | agm003901885 | [
[
0,
0,
0.5475167400359394
],
[
0,
2.18833164,
2.7361977561671815
],
[
1.852604575,
0,
2.7358088759130226
],
[
1.852604575,
2.18833164,
0.5464421541107531
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached"... | [
"Hg",
"Hg",
"Pt",
"Rh"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
9.992742,
0,
0
],
[
0,
10.47233,
0
],
[
0,
0,
10.33385
]
] | -13.586963 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00128207
],
[
0,
0,
-0.00556011
],
[
0,
0,
0.00101565
],
[
0,
0,
0.00582653
]
] | 0 | 1.776652 | pbe | true | bc753927254be512e700e09ba0c1a56f_123_Hg2Pt1Rh1 |
[
"Cu",
"F",
"K"
] | 4 | A2BC | Cu2FK | K1 Cu2 F1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.38998334,
3.38998334
],
[
3.38998334,
0,
3.38998334
],
[
3.38998334,
3.38998334,
0
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] | agm002671526 | [
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[
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] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cu", "attached": nu... | [
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[
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] | 0 | 2.158213 | pbe | true | 8f0c78749714f7e25d2ba8daf7bf5407_225_K1Cu2F1 |
[
"Cu",
"H",
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] | 10 | A3BC | CuH3Zr | Zr2 Cu2 H6 | 3 | [
1,
1,
1
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[
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"Cu",
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] | 2023-11-16 06:57:59 | [
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... | 0 | 1.740318 | pbe | true | 932eb96af2d16755bdf3ed48de20b19b_11_Zr2Cu2H6 |
[
"In",
"Zn",
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] | 10 | A2B2C | In2Zn2Zr | Zr2 Zn4 In4 | 3 | [
1,
1,
1
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[
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0
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[
0,
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[
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"Zn",
"Zn",
"Zn",
"Zn",
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] | 2023-11-16 06:57:59 | [
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[
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[
"Dy",
"Nd",
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] | 12 | A6B5C | Dy5NdPr6 | Pr6 Nd1 Dy5 | 3 | [
1,
1,
1
] | 3 | [
[
4.96884,
0.02049846,
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[
-1.39894507,
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[
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"Pr",
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"Dy",
"Dy",
"Dy",
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] | 2023-11-16 06:57:59 | [
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[
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-0.00157411... | -0.00002 | 16.323427 | pbe | true | 94861939c4b7c11131cdf73780f5fbff_71_Pr6Nd1Dy5 |
[
"Er",
"Nb",
"Re"
] | 6 | A3B2C | Er2NbRe3 | Er2 Nb1 Re3 | 3 | [
1,
1,
1
] | 3 | [
[
4.80081685,
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-2.51548661
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[
-3.05198493,
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[
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] | agm005845784 | [
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... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Er", "attached"... | [
"Er",
"Er",
"Nb",
"Re",
"Re",
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] | 2023-11-16 06:57:59 | [
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[
0,
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] | -0.000025 | 4.171972 | pbe | true | 12c8600aeef10d93310efdd272d7af1e_166_Er2Nb1Re3 |
[
"Ag",
"Br"
] | 6 | A5B | Ag5Br | Ag5 Br1 | 2 | [
1,
1,
1
] | 3 | [
[
0,
3.97535685,
3.97535685
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[
3.97535685,
0,
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[
3.97535685,
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[
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[
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... | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ag",
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"Ag",
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] | 2023-11-16 06:57:59 | [
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[
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[
0,
0,
0
]
] | -0 | 1.452889 | pbe | true | e52e23dc59d08d4bc0bea5a98ebedfa0_216_Ag5Br1 |
[
"As",
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] | 2 | AB | AsC | As1 C1 | 2 | [
1,
1,
1
] | 3 | [
[
4.80541473,
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0
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[
-3.74973408,
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0
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[
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
"As",
"C"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
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[
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[
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] | -10.375181 | [
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 0.147883 | pbe | true | de22bd896c6d8d342e76f6032221f7a1_65_As1C1 |
[
"Cd",
"La"
] | 6 | A5B | Cd5La | La1 Cd5 | 2 | [
1,
1,
1
] | 3 | [
[
2.98263097,
-5.16606838,
0
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[
2.98263097,
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0
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[
0,
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[
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... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}] | [
"La",
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"Cd",
"Cd",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.8333333333333334,
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[
0,
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[
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] | -10.835651 | [
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[
0,
0,
0
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[
0,
0,
0
]
] | -0 | 2.819606 | pbe | true | 36a02396f0f6d09ccd5a4c1f72f9bf71_189_La1Cd5 |
[
"Ir",
"Mg",
"Ni"
] | 4 | A2BC | IrMgNi2 | Mg1 Ni2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.44126561,
-0.38981473,
-0.45653125
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[
1.62421251,
4.15195503,
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[
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] | agm004241056 | [
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2.34126749,
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[
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[
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] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ir",
"Mg",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
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[
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] | -22.365264 | [
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[
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[
0.00015222,
0.00009442,
0
],
[
-0.00015222,
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0
]
] | 0.56406 | 5.082932 | pbe | true | 612339e7262c0ac95aa3026fff09e2f3_139_Mg1Ni2Ir1 |
[
"Li",
"Nd",
"Pt"
] | 11 | A6B3C2 | Li6Nd2Pt3 | Li6 Nd2 Pt3 | 3 | [
1,
1,
1
] | 3 | [
[
3.99079917,
0,
0
],
[
0,
7.78213865,
0
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[
0,
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]
] | agm003349521 | [
[
1.995399585,
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[
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[
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[
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[
0... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pt", "attached"... | [
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Nd",
"Nd",
"Pt",
"Pt",
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] | 2023-11-16 06:57:59 | [
0.5454545454545454,
0.18181818181818182,
0.2727272727272727
] | [
[
2.17072,
0,
0
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[
0,
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0
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[
0,
0,
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] | -45.037101 | [
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0
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[
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[
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[
0,
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[
0,
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[
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[
0,
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[
0,
0,
0
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[
0,
0,
... | -0 | 4.138077 | pbe | true | f5bef35176625182cee7426508c42863_189_Li6Nd2Pt3 |
[
"Ca",
"I",
"Sm"
] | 4 | A2BC | CaI2Sm | Ca1 Sm1 I2 | 3 | [
1,
1,
1
] | 3 | [
[
4.09822564,
0,
0
],
[
2.04911282,
3.54916752,
0
],
[
2.04911282,
1.18305584,
10.47154494
]
] | agm002009522 | [
[
2.049114848621692,
1.1830570112252816,
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[
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[
4.09822564,
2.36611168,
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[
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] | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Sm", "attached": ... | [
"I",
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"Ca",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0
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[
0,
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0
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[
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0,
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] | -12.946963 | [
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[
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[
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[
0,
0,
0
]
] | 0.000812 | 3.997434 | pbe | true | ccdd917ea62d3ac4452acfc3111cfafa_166_Ca1Sm1I2 |
[
"Ge",
"Rh",
"Sb"
] | 10 | A3BC | GeRh3Sb | Ge2 Sb2 Rh6 | 3 | [
1,
1,
1
] | 3 | [
[
4.31045702,
0,
0
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[
0,
5.56207687,
0
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[
0,
0,
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] | agm005777607 | [
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[
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3.3675713... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Rh", "attached"... | [
"Ge",
"Ge",
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"Sb",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2,
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[
0,
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[
0,
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... | 0.000001 | 7.462574 | pbe | true | 4349abb41cb15f7a27b24ad3bf4235d5_26_Ge2Sb2Rh6 |
[
"Ca",
"Mg"
] | 6 | A2B | Ca2Mg | Ca4 Mg2 | 2 | [
1,
1,
1
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[
1.89530897,
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0
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[
1.89530897,
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0
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[
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[
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[
1.89530897,
-1.0... | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Ca",
"Ca",
"Ca",
"Ca",
"Mg",
"Mg"
] | 2023-11-16 06:57:59 | [
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0.3333333333333333
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[
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[
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[
0,
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0
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] | -0.000013 | 6.823526 | pbe | true | 98258170ccf1d9ca3e155f53502578cb_194_Ca4Mg2 |
[
"I",
"O",
"Pd"
] | 10 | A2B2C | I2OPd2 | Pd4 I4 O2 | 3 | [
1,
1,
1
] | 3 | [
[
7.99907601,
0,
0
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[
-3e-8,
4.73247342,
0
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[
0,
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[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pd", "attached": nu... | [
"Pd",
"Pd",
"Pd",
"Pd",
"I",
"I",
"I",
"I",
"O",
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] | 2023-11-16 06:57:59 | [
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[
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... | 3.310376 | 9.278628 | pbe | true | 0cd6400008d964958518fd69117e14d8_53_Pd4I4O2 |
[
"Mo",
"Re",
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] | 6 | A3B2C | MoRe3Tb2 | Tb2 Re3 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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] | agm005846100 | [
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[
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"Tb",
"Tb",
"Re",
"Re",
"Re",
"Mo"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
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[
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[
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[
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[
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[
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[
0,
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] | -0.000004 | 3.015793 | pbe | true | 159db457fc4d096b55d60f60cce305a9_12_Tb2Re3Mo1 |
[
"O",
"S",
"U"
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1,
1,
1
] | 3 | [
[
3.82943809,
0,
0
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[
0,
4.25012621,
0
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[
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] | agm003400091 | [
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[
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2.12506... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "U", "attached": nul... | [
"U",
"U",
"S",
"O",
"O"
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[
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[
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] | -48.244678 | [
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[
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[
0,
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[
0,
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] | 5.863947 | 10.740558 | pbe | true | b829e55891af02a95cdc7b08add7d846_71_U2S1O2 |
[
"Al",
"Fe",
"Rh",
"Y"
] | 4 | ABCD | AlFeRhY | Al1 Fe1 Rh1 Y1 | 4 | [
1,
1,
1
] | 3 | [
[
0,
3.181403,
3.181403
],
[
3.181403,
0,
3.181403
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[
3.181403,
3.181403,
0
]
] | oqmd-2642751 | [
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[
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[
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[
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] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rh", "attached"... | [
"Al",
"Fe",
"Rh",
"Y"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.25,
0.25
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[
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14.56735,
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[
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14.56735
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] | -27.2812 | [
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[
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[
0,
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[
0,
0,
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] | 0.886966 | null | pbe | false | 0a89a74ffe94d36e71f6d1370e446107_216_Y1Al1Fe1Rh1 |
[
"Ag",
"Na",
"Te",
"Ti"
] | 18 | A4B3CD | Ag3NaTe4Ti | Ag3 Na1 Te4 Ti1 | 4 | [
1,
1,
1
] | 3 | [
[
6.471221407,
0,
0
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[
0,
8.734212336,
0
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[
-1.676985164,
0,
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] | oqmd-6818971 | [
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[
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[
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[
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[
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[
0.76407999... | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached"... | [
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"Na",
"Na",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Ti",
"Ti"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.1111111111111111,
0.4444444444444444,
0.1111111111111111
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[
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0
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[
3.63269498,
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] | -67.6784 | [
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0,
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[
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[
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[
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[
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[
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0,
... | 0.00326 | null | pbe | false | 18d5fd4c75946fdd7105481cc6e6ccea_11_Na2Ti2Ag6Te8 |
[
"Al",
"Cd",
"Tc"
] | 4 | A2BC | AlCdTc2 | Al1 Cd1 Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.147923,
3.147923
],
[
3.147923,
0,
3.147923
],
[
3.147923,
3.147923,
0
]
] | oqmd-2320724 | [
[
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[
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[
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[
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] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tc", "attached"... | [
"Al",
"Cd",
"Tc",
"Tc"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
],
[
0,
15.61307,
0
],
[
0,
0,
15.61307
]
] | -24.7833 | [
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0.001
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[
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.001556 | null | pbe | true | fd858f2d9ec6108503840e5d8758d657_216_Al1Cd1Tc2 |
[
"Cr",
"Ge",
"Hf",
"Rh"
] | 4 | ABCD | CrGeHfRh | Cr1 Ge1 Hf1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
0,
3.114627,
3.114627
],
[
3.114627,
0,
3.114627
],
[
3.114627,
3.114627,
0
]
] | oqmd-2556823 | [
[
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[
0,
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0
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[
3.1146199999999977,
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],
[
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Hf", "attached"... | [
"Cr",
"Ge",
"Hf",
"Rh"
] | 2024-11-01 00:00:00 | [
0.25,
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0.25,
0.25
] | [
[
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[
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[
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] | -32.6245 | [
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.991944 | null | pbe | false | 677e6bc2d7c86ead8f258bc2a1abb6bb_216_Hf1Cr1Ge1Rh1 |
[
"Cs",
"Se",
"Si"
] | 10 | A6B3C | Cs6SeSi3 | Cs6 Se1 Si3 | 3 | [
1,
1,
1
] | 3 | [
[
6.911461,
0.00367,
0.003381
],
[
-2.888868,
6.447561,
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],
[
-1.208076,
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10.144711
]
] | oqmd-2525351 | [
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[
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[
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],... | [{"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Si", "attached"... | [
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Se",
"Si",
"Si",
"Si"
] | 2024-11-01 00:00:00 | [
0.6,
0.1,
0.3
] | [
[
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[
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],
[
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] | -25.9156 | [
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0
] | [
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[
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[
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[
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[
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[
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0.027787
],
[
0.0... | null | null | pbe | false | a1961534e769e5147ea25376d6c535eb_1_Cs6Si3Se1 |
[
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1
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[
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1
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[
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[
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1
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] | null | null | pbe | false | b1228313bfca0e7c910ea527fa94ba5b_216_Ca2In1Au1 |
[
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1,
1
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[
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... | null | null | pbe | true | 6a03d431d4b0d934619d09952e1288b6_12_Cu2Ag7 |
[
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1,
1
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[
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[
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1
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[
0.... | null | null | pbe | false | 83081c31ece904cf703607a198ad832d_12_Ca3Al7Ag2 |
[
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1
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-0.000... | 0.044744 | null | pbe | false | ea684f3af6167584524a026c7e309376_71_Ti6Ga5Au1 |
[
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1,
1,
1
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] | null | null | pbe | false | 0152510ac7ba941381abfc3b74bf91cb_216_Rb1Mg1Bi1 |
[
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],
[
-0... | null | null | pbe | false | 389b961b5cb55179299830d0b092cd82_62_Yb4Pd4Pb4 |
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