action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
AddAtomAction | f35f4e82-76ce-4d2c-994e-6c8e0a1f084a | mp-554749 | Add one Gd atom at the Cartesian coordinate [3.357 3.963 7.783] to the cif file. | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P18Ir6O54Gd
_chemical_formula_sum "P18 Ir6 O54 Gd1"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_gr... |
AddAtomAction | 408c50a8-8609-4ee3-9a61-8373173b8e3c | mp-542019 | Add one Zr atom at the Cartesian coordinate [ 4.566 -0.539 6.609] to the cif file. | data_image0
_chemical_formula_structural Np10Ge6
_chemical_formula_sum "Np10 Ge6"
_cell_length_a 8.14251062
_cell_length_b 8.14251062
_cell_length_c 8.14251062
_cell_angle_alpha 95.58295889
_cell_angle_beta 95.58295889
_cell_angle_gamma 143.65143751
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Np10Ge6Zr
_chemical_formula_sum "Np10 Ge6 Zr1"
_cell_length_a 8.14251062
_cell_length_b 8.14251062
_cell_length_c 8.14251062
_cell_angle_alpha 95.58295889
_cell_angle_beta 95.58295889
_cell_angle_gamma 143.65143751
_space_group_nam... |
AddAtomAction | d0c04eef-070c-4dd7-9f31-5a5b1a90a72e | mp-1209789 | Add one I atom at the Cartesian coordinate [-0.232 6.472 1.382] to the cif file. | data_image0
_chemical_formula_structural Sm4Rh6Pb19
_chemical_formula_sum "Sm4 Rh6 Pb19"
_cell_length_a 10.2691543
_cell_length_b 10.2691543
_cell_length_c 10.2691543
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Sm4Rh6Pb19I
_chemical_formula_sum "Sm4 Rh6 Pb19 I1"
_cell_length_a 10.2691543
_cell_length_b 10.2691543
_cell_length_c 10.2691543
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... |
AddAtomAction | ab2e9378-f967-43a1-81fe-fb8547ddc3a6 | mp-625159 | Add one Lv atom at the Cartesian coordinate [0.781 1.745 4.798] to the cif file. | data_image0
_chemical_formula_structural H12Cl4O20
_chemical_formula_sum "H12 Cl4 O20"
_cell_length_a 5.597968
_cell_length_b 7.262629
_cell_length_c 9.024575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural H12Cl4O20Lv
_chemical_formula_sum "H12 Cl4 O20 Lv1"
_cell_length_a 5.597968
_cell_length_b 7.262629
_cell_length_c 9.024575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | c28f00d7-ac4a-4432-beb1-3c5222edc07d | mp-1523324 | Add one Be atom at the Cartesian coordinate [5.623 3.025 3.215] to the cif file. | data_image0
_chemical_formula_structural Sr2MnSnO6
_chemical_formula_sum "Sr2 Mn1 Sn1 O6"
_cell_length_a 5.63969519
_cell_length_b 5.63969519
_cell_length_c 5.639695189999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Sr2MnSnO6Be
_chemical_formula_sum "Sr2 Mn1 Sn1 O6 Be1"
_cell_length_a 5.63969519
_cell_length_b 5.63969519
_cell_length_c 5.639695189999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... |
AddAtomAction | 5095fae2-5bea-4a81-81b0-0f67b49772d9 | mp-560156 | Add one Mc atom at the Cartesian coordinate [0.842 6.903 1.395] to the cif file. | data_image0
_chemical_formula_structural Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Sr4Tl4V4O16Mc
_chemical_formula_sum "Sr4 Tl4 V4 O16 Mc1"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 8012b11a-a857-477e-b914-76a8baedf1af | mp-33255 | Add one Rf atom at the Cartesian coordinate [11.659 3.05 0.661] to the cif file. | data_image0
_chemical_formula_structural Ni15O16
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_space_gr... | data_image0
_chemical_formula_structural Ni15O16Rf
_chemical_formula_sum "Ni15 O16 Rf1"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_sp... |
AddAtomAction | 323bca8c-20d9-4747-8c96-774aa2f9976e | mp-752419 | Add one Be atom at the Cartesian coordinate [10.312 13.505 7.905] to the cif file. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr4Ca4I16Be
_chemical_formula_sum "Sr4 Ca4 I16 Be1"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 72a635d8-d698-4a66-b27a-d678473bfcd2 | mp-570506 | Add one Na atom at the Cartesian coordinate [ 0.235 1.086 11.937] to the cif file. | data_image0
_chemical_formula_structural Zr4I8
_chemical_formula_sum "Zr4 I8"
_cell_length_a 3.77437288
_cell_length_b 6.91824678
_cell_length_c 15.61077985
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Zr4I8Na
_chemical_formula_sum "Zr4 I8 Na1"
_cell_length_a 3.77437288
_cell_length_b 6.91824678
_cell_length_c 15.61077985
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
AddAtomAction | cea850fd-b036-4ae7-aca1-6c387c53194b | mp-780431 | Add one O atom at the Cartesian coordinate [ 1.742 8.263 16.09 ] to the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8Fe8P8H16O41
_chemical_formula_sum "Li8 Fe8 P8 H16 O41"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | ddf200b3-fa25-4c72-ac5b-93f0b96ef9d6 | mp-1225649 | Add one Mo atom at the Cartesian coordinate [-0.741 2.611 2.141] to the cif file. | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Er4Al4Fe4Mo
_chemical_formula_sum "Er4 Al4 Fe4 Mo1"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H... |
AddAtomAction | 47de8988-ec67-4db3-b7fe-e890d316ea6c | mp-1306670 | Add one P atom at the Cartesian coordinate [-2.917 0.482 7.822] to the cif file. | data_image0
_chemical_formula_structural Li6Ti2Ni6O16
_chemical_formula_sum "Li6 Ti2 Ni6 O16"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.96438166... | data_image0
_chemical_formula_structural Li6Ti2Ni6O16P
_chemical_formula_sum "Li6 Ti2 Ni6 O16 P1"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.9643... |
AddAtomAction | b42c658d-c461-42dc-85f6-1fbe56993277 | mp-1027965 | Add one Yb atom at the Cartesian coordinate [4.802 0.462 2.687] to the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14GaYb
_chemical_formula_sum "Y1 Mg14 Ga1 Yb1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H... |
AddAtomAction | 36658696-54c7-435c-a6c8-f6fb351bd355 | mp-29778 | Add one W atom at the Cartesian coordinate [3.543 2.339 4.198] to the cif file. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd8Ge14W
_chemical_formula_sum "Nd8 Ge14 W1"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt... |
AddAtomAction | 95f84d0f-8ef0-4fe4-99f6-15817eee3ca6 | mp-762220 | Add one U atom at the Cartesian coordinate [ 1.541 5.767 11.279] to the cif file. | data_image0
_chemical_formula_structural Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Li8Cu8P8O32U
_chemical_formula_sum "Li8 Cu8 P8 O32 U1"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | c9e4f925-49e4-4d47-b9d8-cf3dd57fad9b | mp-530303 | Add one Np atom at the Cartesian coordinate [6.542 5.146 5.694] to the cif file. | data_image0
_chemical_formula_structural Mg8Ga16O32
_chemical_formula_sum "Mg8 Ga16 O32"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999986
_... | data_image0
_chemical_formula_structural Mg8Ga16O32Np
_chemical_formula_sum "Mg8 Ga16 O32 Np1"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999... |
AddAtomAction | cb1d37d8-59de-4062-a078-d0f66e25e1fc | mp-39647 | Add one In atom at the Cartesian coordinate [4.397 2.449 5.425] to the cif file. | data_image0
_chemical_formula_structural Na6Al4FeSi8O26
_chemical_formula_sum "Na6 Al4 Fe1 Si8 O26"
_cell_length_a 8.60414738
_cell_length_b 8.60414738
_cell_length_c 10.59008016
_cell_angle_alpha 68.95860384
_cell_angle_beta 68.95860384
_cell_angle_gamma 56.18613096
_spa... | data_image0
_chemical_formula_structural Na6Al4FeSi8O26In
_chemical_formula_sum "Na6 Al4 Fe1 Si8 O26 In1"
_cell_length_a 8.60414738
_cell_length_b 8.60414738
_cell_length_c 10.59008016
_cell_angle_alpha 68.95860384
_cell_angle_beta 68.95860384
_cell_angle_gamma 56.18613096... |
AddAtomAction | 0c08752f-9601-4d90-a870-b8762892b57d | mp-1193985 | Add one Cu atom at the Cartesian coordinate [7.3 6.476 4.744] to the cif file. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6Cu
_chemical_formula_sum "Ta2 Co21 B6 Cu1"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
AddAtomAction | ab2fb5bd-fbb8-4b7c-8a0e-6fa9c3446ab7 | mp-770417 | Add one Pt atom at the Cartesian coordinate [4.731 6.354 1.278] to the cif file. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24Pt
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24 Pt1"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.... |
AddAtomAction | f1670207-b9cf-4556-b75b-d94fe4662015 | mp-1037998 | Add one F atom at the Cartesian coordinate [1.002 5.467 6.41 ] to the cif file. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg30AlCdO32F
_chemical_formula_sum "Mg30 Al1 Cd1 O32 F1"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 6103b757-7981-44b1-98ac-a65cb06a9a16 | mp-678 | Add one Mt atom at the Cartesian coordinate [ 0.285 -0.623 6.861] to the cif file. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag17Mt
_chemical_formula_sum "Mg54 Ag17 Mt1"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_... |
AddAtomAction | 9fb8e55f-582e-469d-9f36-f1f7dfffd9d7 | mp-1213937 | Add one Fr atom at the Cartesian coordinate [-4.851 6.322 3.254] to the cif file. | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24Fr
_chemical_formula_sum "Cr10 Cu2 Ge4 O24 Fr1"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group... |
AddAtomAction | b38e6f96-fb6e-4a02-a5f7-f76abbb9c5bd | mp-758795 | Add one B atom at the Cartesian coordinate [ 6.736 13.196 9.157] to the cif file. | data_image0
_chemical_formula_structural Li8Fe8Si12O36
_chemical_formula_sum "Li8 Fe8 Si12 O36"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Fe8Si12O36B
_chemical_formula_sum "Li8 Fe8 Si12 O36 B1"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | 9e47575b-73dc-4782-b166-0d81fdc35724 | mp-555583 | Add one Ts atom at the Cartesian coordinate [ 1.612 0.704 62.227] to the cif file. | data_image0
_chemical_formula_structural Zn24S24
_chemical_formula_sum "Zn24 S24"
_cell_length_a 3.80915336
_cell_length_b 3.80915303
_cell_length_c 74.7500874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000291
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Zn24S24Ts
_chemical_formula_sum "Zn24 S24 Ts1"
_cell_length_a 3.80915336
_cell_length_b 3.80915303
_cell_length_c 74.7500874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000291
_space_group_name_H-M_alt "... |
AddAtomAction | ad5fde44-3211-40f1-bec2-20bf24f07b8d | mp-1203661 | Add one Sn atom at the Cartesian coordinate [3.149 2.811 3.291] to the cif file. | data_image0
_chemical_formula_structural K5Rb10Cr5F30
_chemical_formula_sum "K5 Rb10 Cr5 F30"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.35469727
_sp... | data_image0
_chemical_formula_structural K5Rb10Cr5F30Sn
_chemical_formula_sum "K5 Rb10 Cr5 F30 Sn1"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.3546972... |
AddAtomAction | f664f766-6ad1-4635-a2a7-4312935e52a5 | mp-554453 | Add one Nd atom at the Cartesian coordinate [12.081 2.27 6.482] to the cif file. | data_image0
_chemical_formula_structural Cr12P12O42
_chemical_formula_sum "Cr12 P12 O42"
_cell_length_a 10.93144818
_cell_length_b 10.93144818
_cell_length_c 9.27815383
_cell_angle_alpha 84.24817085999999
_cell_angle_beta 84.24817085999999
_cell_angle_gamma 45.026736099999... | data_image0
_chemical_formula_structural Cr12P12O42Nd
_chemical_formula_sum "Cr12 P12 O42 Nd1"
_cell_length_a 10.93144818
_cell_length_b 10.93144818
_cell_length_c 9.27815383
_cell_angle_alpha 84.24817085999999
_cell_angle_beta 84.24817085999999
_cell_angle_gamma 45.026736... |
AddAtomAction | 5e5e26c4-ca48-4fde-aa41-6e194cce91aa | mp-1095566 | Add one Cd atom at the Cartesian coordinate [0.354 1.601 3.69 ] to the cif file. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co8B2Cd
_chemical_formula_sum "La2 Co8 B2 Cd1"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_a... |
AddAtomAction | 2deef888-9280-4335-9895-2f0e2c1fa541 | mp-769018 | Add one He atom at the Cartesian coordinate [1.383 9.681 6.716] to the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48He
_chemical_formula_sum "Li4 Fe8 S12 O48 He1"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | 35451ed8-f841-4672-9118-9e6d9d28b6c0 | mp-1247260 | Add one Mo atom at the Cartesian coordinate [2.073 3.897 2.388] to the cif file. | data_image0
_chemical_formula_structural Ga16Te12N8
_chemical_formula_sum "Ga16 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ga16Te12N8Mo
_chemical_formula_sum "Ga16 Te12 N8 Mo1"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | e59926d3-0b4d-4444-9210-d6200cf19cbe | mp-1194093 | Add one Th atom at the Cartesian coordinate [6.37 3.549 1.825] to the cif file. | data_image0
_chemical_formula_structural H16PtC4N2Cl6
_chemical_formula_sum "H16 Pt1 C4 N2 Cl6"
_cell_length_a 7.357655
_cell_length_b 8.669492
_cell_length_c 8.669492
_cell_angle_alpha 73.89866996
_cell_angle_beta 64.89099021
_cell_angle_gamma 64.89099021
_space_group_na... | data_image0
_chemical_formula_structural H16PtC4N2Cl6Th
_chemical_formula_sum "H16 Pt1 C4 N2 Cl6 Th1"
_cell_length_a 7.357655
_cell_length_b 8.669492
_cell_length_c 8.669492
_cell_angle_alpha 73.89866996
_cell_angle_beta 64.89099021
_cell_angle_gamma 64.89099021
_space_gr... |
AddAtomAction | d6098509-80f1-431a-a208-9f442c703de7 | mp-23390 | Add one Lv atom at the Cartesian coordinate [ 1.834 1.441 11.273] to the cif file. | data_image0
_chemical_formula_structural Rb4Cd4Cl12
_chemical_formula_sum "Rb4 Cd4 Cl12"
_cell_length_a 4.05372776
_cell_length_b 9.04405641
_cell_length_c 15.05258048
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Rb4Cd4Cl12Lv
_chemical_formula_sum "Rb4 Cd4 Cl12 Lv1"
_cell_length_a 4.05372776
_cell_length_b 9.04405641
_cell_length_c 15.05258048
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | 1f7d828f-8560-425d-982e-b94d02fdcaab | mp-769928 | Add one Po atom at the Cartesian coordinate [21.58 6.671 1.181] to the cif file. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8Po
_chemical_formula_sum "Li4 Nb1 V3 O8 Po1"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044... |
AddAtomAction | 93efc2d9-fdfe-435c-8307-864eacaa4db9 | mp-1027074 | Add one V atom at the Cartesian coordinate [-0.84 1.547 36.374] to the cif file. | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_group_n... | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2V
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2 V1"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_gro... |
AddAtomAction | 765dbc47-fdfc-4e99-9b1a-8772e7a6387f | mp-30823 | Add one Co atom at the Cartesian coordinate [5.181 1.296 0.477] to the cif file. | data_image0
_chemical_formula_structural Pu10Os6
_chemical_formula_sum "Pu10 Os6"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pu10Os6Co
_chemical_formula_sum "Pu10 Os6 Co1"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_nam... |
AddAtomAction | 6ef209e1-d29c-48fc-a498-6176b47625e6 | mp-1853 | Add one Am atom at the Cartesian coordinate [ 5.987 8.754 11.476] to the cif file. | data_image0
_chemical_formula_structural Sr6P28
_chemical_formula_sum "Sr6 P28"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sr6P28Am
_chemical_formula_sum "Sr6 P28 Am1"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1... |
AddAtomAction | b63e7861-e19f-4ab9-98f8-2b35d1f69b77 | mp-636519 | Add one Es atom at the Cartesian coordinate [ 3.705 -0.447 2.426] to the cif file. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4O8Es
_chemical_formula_sum "Ni2 Rh4 O8 Es1"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group... |
AddAtomAction | 459e9da4-f235-4b1a-b558-3266d8541aba | mp-1217721 | Add one Na atom at the Cartesian coordinate [0.714 1.819 0.241] to the cif file. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb6Al8Fe4Na
_chemical_formula_sum "Tb6 Al8 Fe4 Na1"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_spa... |
AddAtomAction | bbd19085-012a-4dc6-b710-8f98f1567392 | mp-1016278 | Add one Ho atom at the Cartesian coordinate [5.374 4.486 8.824] to the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Mg12
_chemical_formula_sum "Ba2 Sr2 Mg12"
_cell_length_a 5.385899
_cell_length_b 7.274363
_cell_length_c 12.831551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Ba2Sr2Mg12Ho
_chemical_formula_sum "Ba2 Sr2 Mg12 Ho1"
_cell_length_a 5.385899
_cell_length_b 7.274363
_cell_length_c 12.831551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 9e9733a4-1e82-4814-828f-f26be55c88fd | mp-627575 | Add one Mt atom at the Cartesian coordinate [4.711 1.392 7.88 ] to the cif file. | data_image0
_chemical_formula_structural K4Zr6CBr18
_chemical_formula_sum "K4 Zr6 C1 Br18"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_space_g... | data_image0
_chemical_formula_structural K4Zr6CBr18Mt
_chemical_formula_sum "K4 Zr6 C1 Br18 Mt1"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_s... |
AddAtomAction | c1d01dd4-fa6d-4964-ae05-0c30494a3219 | mp-1045731 | Add one Tc atom at the Cartesian coordinate [10.454 3.099 5.881] to the cif file. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56Tc
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56 Tc1"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_ga... |
AddAtomAction | 1ae88ca8-a2bb-485c-b449-0940141029bf | mp-766011 | Add one Cr atom at the Cartesian coordinate [2.409 3.77 0.594] to the cif file. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural Li3VCrP2H2O10Cr
_chemical_formula_sum "Li3 V1 Cr2 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 9... |
AddAtomAction | c59fec57-155e-473c-9b7b-6c412229c05d | mp-557500 | Add one Ir atom at the Cartesian coordinate [0.956 5.297 5.741] to the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6Ir
_chemical_formula_sum "Li1 Ni1 P2 S6 Ir1"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_spa... |
AddAtomAction | dda22ae9-575e-4a12-b7f5-ba7d933f337a | mp-2229628 | Add one Xe atom at the Cartesian coordinate [3.79 1.255 1.988] to the cif file. | data_image0
_chemical_formula_structural MgCo4OF11
_chemical_formula_sum "Mg1 Co4 O1 F11"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_group_nam... | data_image0
_chemical_formula_structural MgCo4OF11Xe
_chemical_formula_sum "Mg1 Co4 O1 F11 Xe1"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_gro... |
AddAtomAction | c7a35555-b5ec-4d14-ad6c-71b7f563ebb2 | mp-1213937 | Add one Cl atom at the Cartesian coordinate [0.515 4.033 5.174] to the cif file. | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24Cl
_chemical_formula_sum "Cr10 Cu2 Ge4 O24 Cl1"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group... |
AddAtomAction | f867be63-ca53-4ef6-acf9-289b3f4779b8 | mp-755986 | Add one Mn atom at the Cartesian coordinate [6.633 2.19 1.565] to the cif file. | data_image0
_chemical_formula_structural Li4Nb2Cr6O16
_chemical_formula_sum "Li4 Nb2 Cr6 O16"
_cell_length_a 6.0295925
_cell_length_b 6.05194869
_cell_length_c 10.40976803
_cell_angle_alpha 106.70751515
_cell_angle_beta 90.00068047
_cell_angle_gamma 60.12215707999999
_spa... | data_image0
_chemical_formula_structural Li4Nb2Cr6O16Mn
_chemical_formula_sum "Li4 Nb2 Cr6 O16 Mn1"
_cell_length_a 6.0295925
_cell_length_b 6.05194869
_cell_length_c 10.40976803
_cell_angle_alpha 106.70751515
_cell_angle_beta 90.00068047
_cell_angle_gamma 60.12215707999999... |
AddAtomAction | 47ccb74f-2e5c-44aa-92ec-dc84c287e2c2 | mp-2223616 | Add one Sr atom at the Cartesian coordinate [-0.622 4.675 3.532] to the cif file. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgCuH4O2F2Sr
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2 Sr1"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4... |
AddAtomAction | cb487125-823f-4f9c-a1d6-b8b351b6365c | mp-1095566 | Add one Pd atom at the Cartesian coordinate [4.845 0.439 3.138] to the cif file. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co8B2Pd
_chemical_formula_sum "La2 Co8 B2 Pd1"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_a... |
AddAtomAction | 231a527b-eab4-47f7-961e-106f0a4bb9cd | mp-557006 | Add one Hf atom at the Cartesian coordinate [5.289 0.277 4.944] to the cif file. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na8Sb4S4O16F12Hf
_chemical_formula_sum "Na8 Sb4 S4 O16 F12 Hf1"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group... |
AddAtomAction | fa9fe2c0-b3d0-457a-81b7-15605a40efe7 | mp-1233200 | Add one Pu atom at the Cartesian coordinate [1.14 7.039 5.233] to the cif file. | data_image0
_chemical_formula_structural MgMn6O4F8
_chemical_formula_sum "Mg1 Mn6 O4 F8"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... | data_image0
_chemical_formula_structural MgMn6O4F8Pu
_chemical_formula_sum "Mg1 Mn6 O4 F8 Pu1"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_gro... |
AddAtomAction | 23b7531a-a022-4390-9fe5-81bba1c4d989 | mp-1233358 | Add one Sm atom at the Cartesian coordinate [4.314 0.249 5.116] to the cif file. | data_image0
_chemical_formula_structural CaV6O11F
_chemical_formula_sum "Ca1 V6 O11 F1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_space_gr... | data_image0
_chemical_formula_structural CaV6O11FSm
_chemical_formula_sum "Ca1 V6 O11 F1 Sm1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_sp... |
AddAtomAction | 9dcfac8c-691e-40b3-9047-3f3ec3939e65 | mp-1289597 | Add one Mo atom at the Cartesian coordinate [4.164 5.324 0.303] to the cif file. | data_image0
_chemical_formula_structural Mn4B4O12
_chemical_formula_sum "Mn4 B4 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn4B4O12Mo
_chemical_formula_sum "Mn4 B4 O12 Mo1"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_nam... |
AddAtomAction | 9f1b9b42-0a2a-403a-9e45-4f001a04dd8a | mp-17822 | Add one V atom at the Cartesian coordinate [5.256 1.65 4.039] to the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24V
_chemical_formula_sum "Dy8 Mo4 O24 V1"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_g... |
AddAtomAction | effb0fae-7d87-4661-a7e1-26fe8857224b | mp-1238837 | Add one Pb atom at the Cartesian coordinate [0.387 0.153 5.599] to the cif file. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B24H24Pb
_chemical_formula_sum "B24 H24 Pb1"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_grou... |
AddAtomAction | bbd448cc-4d5a-4eef-906d-146220e6a945 | mp-557589 | Add one Mt atom at the Cartesian coordinate [2.188 8.662 7.61 ] to the cif file. | data_image0
_chemical_formula_structural Tl4Zn4P12O36
_chemical_formula_sum "Tl4 Zn4 P12 O36"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Tl4Zn4P12O36Mt
_chemical_formula_sum "Tl4 Zn4 P12 O36 Mt1"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | fb847cab-067c-422e-b5f6-6cd9e283659e | mp-1236223 | Add one Au atom at the Cartesian coordinate [2.778 0.648 4.464] to the cif file. | data_image0
_chemical_formula_structural K4LiC2O6
_chemical_formula_sum "K4 Li1 C2 O6"
_cell_length_a 5.45322769
_cell_length_b 5.45322843
_cell_length_c 11.29581576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000701000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K4LiC2O6Au
_chemical_formula_sum "K4 Li1 C2 O6 Au1"
_cell_length_a 5.45322769
_cell_length_b 5.45322843
_cell_length_c 11.29581576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000701000002
_space_group_name_... |
AddAtomAction | a5cf7801-a2c2-4d77-9a91-2782f4bf5e7e | mp-1209288 | Add one Cu atom at the Cartesian coordinate [2.541 5.158 1.033] to the cif file. | data_image0
_chemical_formula_structural Pr4Te4As4
_chemical_formula_sum "Pr4 Te4 As4"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Pr4Te4As4Cu
_chemical_formula_sum "Pr4 Te4 As4 Cu1"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 9a8e2caf-e296-4ea8-b0a6-b5848109f2d8 | mp-1232387 | Add one O atom at the Cartesian coordinate [4.507 1.381 8.161] to the cif file. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Y8Mg4S16O
_chemical_formula_sum "Y8 Mg4 S16 O1"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
AddAtomAction | a09232a7-3be8-4842-bf23-32eceef29696 | mp-1205713 | Add one Ir atom at the Cartesian coordinate [4.486 4.888 3.108] to the cif file. | data_image0
_chemical_formula_structural Ba2YUO6
_chemical_formula_sum "Ba2 Y1 U1 O6"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Ba2YUO6Ir
_chemical_formula_sum "Ba2 Y1 U1 O6 Ir1"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
AddAtomAction | 22a05972-6be0-44e0-92f7-8f199a5eda85 | mp-780430 | Add one Es atom at the Cartesian coordinate [10.828 3.464 2.15 ] to the cif file. | data_image0
_chemical_formula_structural V2Fe4P6O24
_chemical_formula_sum "V2 Fe4 P6 O24"
_cell_length_a 8.43947482
_cell_length_b 8.43947482
_cell_length_c 8.43947559
_cell_angle_alpha 61.69571962999999
_cell_angle_beta 61.69571962999999
_cell_angle_gamma 61.69572487
_sp... | data_image0
_chemical_formula_structural V2Fe4P6O24Es
_chemical_formula_sum "V2 Fe4 P6 O24 Es1"
_cell_length_a 8.43947482
_cell_length_b 8.43947482
_cell_length_c 8.43947559
_cell_angle_alpha 61.69571962999999
_cell_angle_beta 61.69571962999999
_cell_angle_gamma 61.6957248... |
AddAtomAction | ef117c38-a218-4468-810e-b500661a21f2 | mp-1354855 | Add one Ac atom at the Cartesian coordinate [7.11 3.643 2.83 ] to the cif file. | data_image0
_chemical_formula_structural Ca6Ti12O24
_chemical_formula_sum "Ca6 Ti12 O24"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999994
_... | data_image0
_chemical_formula_structural Ca6Ti12O24Ac
_chemical_formula_sum "Ca6 Ti12 O24 Ac1"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999... |
AddAtomAction | 0e2b3888-bf92-4267-b297-6cb1f4c4e361 | mp-851096 | Add one F atom at the Cartesian coordinate [ 4.155 3.137 15.171] to the cif file. | data_image0
_chemical_formula_structural Li9Cr19O48
_chemical_formula_sum "Li9 Cr19 O48"
_cell_length_a 5.054054
_cell_length_b 10.18300069
_cell_length_c 17.29302586
_cell_angle_alpha 89.99226151
_cell_angle_beta 89.82386839
_cell_angle_gamma 89.96698305000001
_space_gro... | data_image0
_chemical_formula_structural Li9Cr19O48F
_chemical_formula_sum "Li9 Cr19 O48 F1"
_cell_length_a 5.054054
_cell_length_b 10.18300069
_cell_length_c 17.29302586
_cell_angle_alpha 89.99226151
_cell_angle_beta 89.82386839
_cell_angle_gamma 89.96698305000001
_space... |
AddAtomAction | 63d54b23-a1fb-494b-96ca-3dac60c69e60 | mp-756284 | Add one Gd atom at the Cartesian coordinate [1.109 1.297 1.282] to the cif file. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12Gd
_chemical_formula_sum "Li4 Co4 B4 O12 Gd1"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
... |
AddAtomAction | 18bcb588-a249-4f57-ae60-ff82f654810f | mp-1208177 | Add one Re atom at the Cartesian coordinate [5.648 4.547 1.553] to the cif file. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U8Co2Re
_chemical_formula_sum "U8 Co2 Re1"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
AddAtomAction | a785ca20-bb90-406a-b912-e5ab19ee3bbd | mp-1376600 | Add one W atom at the Cartesian coordinate [ 1.602 4.312 11.693] to the cif file. | data_image0
_chemical_formula_structural V4S10
_chemical_formula_sum "V4 S10"
_cell_length_a 4.334212
_cell_length_b 6.511436
_cell_length_c 13.86584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... | data_image0
_chemical_formula_structural V4S10W
_chemical_formula_sum "V4 S10 W1"
_cell_length_a 4.334212
_cell_length_b 6.511436
_cell_length_c 13.86584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... |
AddAtomAction | 1931d125-0976-48fa-8c60-442296370392 | mp-1214069 | Add one Th atom at the Cartesian coordinate [10.076 10.492 4.878] to the cif file. | data_image0
_chemical_formula_structural Ca2Zr2Si12H4O30
_chemical_formula_sum "Ca2 Zr2 Si12 H4 O30"
_cell_length_a 10.05803507
_cell_length_b 10.05803507
_cell_length_c 7.91884337
_cell_angle_alpha 76.71994602
_cell_angle_beta 76.71994602
_cell_angle_gamma 90.455984140000... | data_image0
_chemical_formula_structural Ca2Zr2Si12H4O30Th
_chemical_formula_sum "Ca2 Zr2 Si12 H4 O30 Th1"
_cell_length_a 10.05803507
_cell_length_b 10.05803507
_cell_length_c 7.91884337
_cell_angle_alpha 76.71994602
_cell_angle_beta 76.71994602
_cell_angle_gamma 90.455984... |
AddAtomAction | 75f59ee6-94e0-4ffb-aa1f-b2d625cf5110 | mp-1221221 | Add one Fe atom at the Cartesian coordinate [8.041 6.718 8.131] to the cif file. | data_image0
_chemical_formula_structural Na6Zn6As6O32
_chemical_formula_sum "Na6 Zn6 As6 O32"
_cell_length_a 9.32843459
_cell_length_b 9.32843459
_cell_length_c 9.328435029999998
_cell_angle_alpha 90.54591677
_cell_angle_beta 90.54591677
_cell_angle_gamma 90.54591984
_spa... | data_image0
_chemical_formula_structural Na6Zn6As6O32Fe
_chemical_formula_sum "Na6 Zn6 As6 O32 Fe1"
_cell_length_a 9.32843459
_cell_length_b 9.32843459
_cell_length_c 9.328435029999998
_cell_angle_alpha 90.54591677
_cell_angle_beta 90.54591677
_cell_angle_gamma 90.54591984... |
AddAtomAction | 49f979af-b6e6-425a-84f0-72bd60af14ea | mp-766386 | Add one Bh atom at the Cartesian coordinate [12.281 9.9 4.026] to the cif file. | data_image0
_chemical_formula_structural Mn6Fe2P8O32
_chemical_formula_sum "Mn6 Fe2 P8 O32"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma 62.83... | data_image0
_chemical_formula_structural Mn6Fe2P8O32Bh
_chemical_formula_sum "Mn6 Fe2 P8 O32 Bh1"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma ... |
AddAtomAction | ae617538-2fc8-4c63-8e0e-b039bc281fdc | mp-757370 | Add one Dy atom at the Cartesian coordinate [4.911 9.45 1.27 ] to the cif file. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... | data_image0
_chemical_formula_structural Ti5Fe11O24Dy
_chemical_formula_sum "Ti5 Fe11 O24 Dy1"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space... |
AddAtomAction | 6b7cbeb7-fa50-4f1d-b7fb-53c1cca8eb0b | mp-1331651 | Add one Fe atom at the Cartesian coordinate [4.261 0.802 8.691] to the cif file. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16Fe
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16 Fe1"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_sp... |
AddAtomAction | 8425d747-baea-4b3b-ba4e-b0a2a51bce87 | mp-542493 | Add one Fl atom at the Cartesian coordinate [2.623 2.829 1.356] to the cif file. | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... | data_image0
_chemical_formula_structural Sc10Co8Si20Fl
_chemical_formula_sum "Sc10 Co8 Si20 Fl1"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552... |
AddAtomAction | ef3885fc-aa25-4be0-a199-db23220a8920 | mp-1105068 | Add one Li atom at the Cartesian coordinate [3.812 2.94 1.842] to the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7Li
_chemical_formula_sum "Ba1 Y1 Fe4 O7 Li1"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_s... |
AddAtomAction | a48ef7fa-dd13-4969-a4e1-101b3d408679 | mp-568863 | Add one Xe atom at the Cartesian coordinate [11.846 4.254 0.038] to the cif file. | data_image0
_chemical_formula_structural Li4Eu8C4Br12N8
_chemical_formula_sum "Li4 Eu8 C4 Br12 N8"
_cell_length_a 10.33667785
_cell_length_b 10.33667785
_cell_length_c 10.33667785
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural Li4Eu8C4Br12N8Xe
_chemical_formula_sum "Li4 Eu8 C4 Br12 N8 Xe1"
_cell_length_a 10.33667785
_cell_length_b 10.33667785
_cell_length_c 10.33667785
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
AddAtomAction | d5cd7098-c27b-4448-aa87-fce0839bacef | mp-849289 | Add one Pa atom at the Cartesian coordinate [1.958 0.616 2.407] to the cif file. | data_image0
_chemical_formula_structural Na36Co12O36
_chemical_formula_sum "Na36 Co12 O36"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na36Co12O36Pa
_chemical_formula_sum "Na36 Co12 O36 Pa1"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt... |
AddAtomAction | f9383dfd-6e45-40dd-b96f-72829b4bad61 | mp-1190379 | Add one Au atom at the Cartesian coordinate [6.297 1.578 0.219] to the cif file. | data_image0
_chemical_formula_structural Ca4Se4O16
_chemical_formula_sum "Ca4 Se4 O16"
_cell_length_a 6.39656071
_cell_length_b 7.21233983
_cell_length_c 8.05958306
_cell_angle_alpha 116.56152868000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca4Se4O16Au
_chemical_formula_sum "Ca4 Se4 O16 Au1"
_cell_length_a 6.39656071
_cell_length_b 7.21233983
_cell_length_c 8.05958306
_cell_angle_alpha 116.56152868000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | 542689b1-6b7e-423b-82ef-c21f996e273e | mp-1234352 | Add one Ba atom at the Cartesian coordinate [ 5.303 1.363 10.79 ] to the cif file. | data_image0
_chemical_formula_structural MgAg20Bi4O16
_chemical_formula_sum "Mg1 Ag20 Bi4 O16"
_cell_length_a 6.09014315
_cell_length_b 8.998793890000002
_cell_length_c 13.50375975
_cell_angle_alpha 84.87861307999998
_cell_angle_beta 86.06348324
_cell_angle_gamma 85.797892... | data_image0
_chemical_formula_structural MgAg20Bi4O16Ba
_chemical_formula_sum "Mg1 Ag20 Bi4 O16 Ba1"
_cell_length_a 6.09014315
_cell_length_b 8.998793890000002
_cell_length_c 13.50375975
_cell_angle_alpha 84.87861307999998
_cell_angle_beta 86.06348324
_cell_angle_gamma 85.... |
AddAtomAction | deeb6d96-97db-42cf-be43-da78801d91ed | mp-558119 | Add one Rh atom at the Cartesian coordinate [ 1.733 4.695 15.837] to the cif file. | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Lu16Mo16O44Rh
_chemical_formula_sum "Lu16 Mo16 O44 Rh1"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | b58f325a-1dc7-4094-977a-b58c52c35013 | mp-1388601 | Add one Lu atom at the Cartesian coordinate [0.564 2.537 7.159] to the cif file. | data_image0
_chemical_formula_structural Tl4Se2O8
_chemical_formula_sum "Tl4 Se2 O8"
_cell_length_a 6.09941271
_cell_length_b 6.09941271
_cell_length_c 8.26682876
_cell_angle_alpha 90.01266462999999
_cell_angle_beta 90.01266462999999
_cell_angle_gamma 116.04875848
_space_... | data_image0
_chemical_formula_structural Tl4Se2O8Lu
_chemical_formula_sum "Tl4 Se2 O8 Lu1"
_cell_length_a 6.09941271
_cell_length_b 6.09941271
_cell_length_c 8.26682876
_cell_angle_alpha 90.01266462999999
_cell_angle_beta 90.01266462999999
_cell_angle_gamma 116.04875848
_... |
AddAtomAction | 2703f5fa-f0f3-4f72-ab55-9429b9872f11 | mp-1246769 | Add one U atom at the Cartesian coordinate [11.685 4.072 5.719] to the cif file. | data_image0
_chemical_formula_structural Mg2Mn2Mo2S8
_chemical_formula_sum "Mg2 Mn2 Mo2 S8"
_cell_length_a 7.4375125
_cell_length_b 7.394863889999999
_cell_length_c 7.395764609999999
_cell_angle_alpha 59.228086969999985
_cell_angle_beta 59.78895210999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Mg2Mn2Mo2S8U
_chemical_formula_sum "Mg2 Mn2 Mo2 S8 U1"
_cell_length_a 7.4375125
_cell_length_b 7.394863889999999
_cell_length_c 7.395764609999999
_cell_angle_alpha 59.228086969999985
_cell_angle_beta 59.78895210999999
_cell_angle_gamma... |
AddAtomAction | 12c2f52d-5109-4b9a-97a0-a8e9338431bb | mp-1193804 | Add one B atom at the Cartesian coordinate [5.242 6.301 6.219] to the cif file. | data_image0
_chemical_formula_structural Pr12Ga8Ni8
_chemical_formula_sum "Pr12 Ga8 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Pr12Ga8Ni8B
_chemical_formula_sum "Pr12 Ga8 Ni8 B1"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
AddAtomAction | 540969c5-44d0-4667-8f60-943cbc613975 | mp-1176004 | Add one H atom at the Cartesian coordinate [-1.319 1.427 6.107] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.072383
_cell_length_b 5.895834739999999
_cell_length_c 10.01012744
_cell_angle_alpha 91.76363245
_cell_angle_beta 99.42135843
_cell_angle_gamma 105.09156994
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16H
_chemical_formula_sum "Li9 Mn2 Co5 O16 H1"
_cell_length_a 5.072383
_cell_length_b 5.895834739999999
_cell_length_c 10.01012744
_cell_angle_alpha 91.76363245
_cell_angle_beta 99.42135843
_cell_angle_gamma 105.09156994
... |
AddAtomAction | e08a8edf-7180-445d-98a7-1eae36191cd3 | mp-1205001 | Add one Lv atom at the Cartesian coordinate [0.798 7.955 7.164] to the cif file. | data_image0
_chemical_formula_structural Os8Xe4O24F40
_chemical_formula_sum "Os8 Xe4 O24 F40"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Os8Xe4O24F40Lv
_chemical_formula_sum "Os8 Xe4 O24 F40 Lv1"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 9eb9f293-6cc0-4030-a1cc-725fec0499d9 | mp-1521867 | Add one P atom at the Cartesian coordinate [7.803 3.874 2.994] to the cif file. | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KBaNdWO6P
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6 P1"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... |
AddAtomAction | 5a0d4745-d30a-4571-aad1-bddd337b4515 | mp-1041713 | Add one As atom at the Cartesian coordinate [3.152 6.728 4.789] to the cif file. | data_image0
_chemical_formula_structural AlCrW2O8
_chemical_formula_sum "Al1 Cr1 W2 O8"
_cell_length_a 5.02399
_cell_length_b 5.79633251
_cell_length_c 6.65503974
_cell_angle_alpha 65.45539295
_cell_angle_beta 80.58051975
_cell_angle_gamma 71.44120456
_space_group_name_H-... | data_image0
_chemical_formula_structural AlCrW2O8As
_chemical_formula_sum "Al1 Cr1 W2 O8 As1"
_cell_length_a 5.02399
_cell_length_b 5.79633251
_cell_length_c 6.65503974
_cell_angle_alpha 65.45539295
_cell_angle_beta 80.58051975
_cell_angle_gamma 71.44120456
_space_group_n... |
AddAtomAction | 5b4b23c0-33f2-41cb-80a2-d3c00ade91cb | mp-1191389 | Add one At atom at the Cartesian coordinate [2.832 4.037 2.453] to the cif file. | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr4V4O16At
_chemical_formula_sum "Pr4 V4 O16 At1"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_na... |
AddAtomAction | 238826ba-8b73-4f5d-a478-784d325401b6 | mp-766954 | Add one Yb atom at the Cartesian coordinate [0.468 4.126 0.988] to the cif file. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 6.768927
_cell_length_b 7.313568
_cell_length_c 7.63146704
_cell_angle_alpha 89.12887012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4V4F20Yb
_chemical_formula_sum "Li4 V4 F20 Yb1"
_cell_length_a 6.768927
_cell_length_b 7.313568
_cell_length_c 7.63146704
_cell_angle_alpha 89.12887012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | abda2fa2-cdb6-49de-8ce1-4fc1b4280926 | mp-1191029 | Add one Sm atom at the Cartesian coordinate [1.501 2.507 1.265] to the cif file. | data_image0
_chemical_formula_structural Pr4C4O16
_chemical_formula_sum "Pr4 C4 O16"
_cell_length_a 5.00660164
_cell_length_b 7.44045528
_cell_length_c 8.17906329
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Pr4C4O16Sm
_chemical_formula_sum "Pr4 C4 O16 Sm1"
_cell_length_a 5.00660164
_cell_length_b 7.44045528
_cell_length_c 8.17906329
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 7981cf30-2103-4e5f-827a-9b38a879ac55 | mp-699405 | Add one Cs atom at the Cartesian coordinate [2.376 5.432 0.301] to the cif file. | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.428660... | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36Cs
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36 Cs1"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.... |
AddAtomAction | 70752456-a7c9-4056-85ad-f901ac074912 | mp-1079659 | Add one Ne atom at the Cartesian coordinate [5.571 3.55 2.427] to the cif file. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Ta2B4Mo4Ne
_chemical_formula_sum "Ta2 B4 Mo4 Ne1"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
AddAtomAction | cc565427-3f35-472d-9ba6-97d77faa40a7 | mp-1193985 | Add one Er atom at the Cartesian coordinate [4.236 3.287 1.951] to the cif file. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6Er
_chemical_formula_sum "Ta2 Co21 B6 Er1"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
AddAtomAction | 7b39ca42-5d7c-4afe-9b7d-98987f3b154f | mp-1043418 | Add one Fr atom at the Cartesian coordinate [-0.847 2.387 11.745] to the cif file. | data_image0
_chemical_formula_structural Co8O12
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Co8O12Fr
_chemical_formula_sum "Co8 O12 Fr1"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt ... |
AddAtomAction | 01f21739-c2f1-4d5d-9656-ff4d225b8f29 | mp-1095216 | Add one N atom at the Cartesian coordinate [-0.009 -1.619 3.494] to the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8N
_chemical_formula_sum "Nd2 As2 O8 N1"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.92896... |
AddAtomAction | 58724e6a-9eba-4eab-8a20-6d30457a2ad0 | mp-1046171 | Add one S atom at the Cartesian coordinate [4.638 2.69 3.743] to the cif file. | data_image0
_chemical_formula_structural Ca8Ta8Cr4O32
_chemical_formula_sum "Ca8 Ta8 Cr4 O32"
_cell_length_a 5.4333689
_cell_length_b 10.393578229999997
_cell_length_c 13.114036659999998
_cell_angle_alpha 112.36772498
_cell_angle_beta 88.06335802
_cell_angle_gamma 92.69853... | data_image0
_chemical_formula_structural Ca8Ta8Cr4O32S
_chemical_formula_sum "Ca8 Ta8 Cr4 O32 S1"
_cell_length_a 5.4333689
_cell_length_b 10.393578229999997
_cell_length_c 13.114036659999998
_cell_angle_alpha 112.36772498
_cell_angle_beta 88.06335802
_cell_angle_gamma 92.6... |
AddAtomAction | 2315dd23-857c-49ab-8fd8-47475c0f01d7 | mp-28950 | Add one Rn atom at the Cartesian coordinate [0.096 2.794 0.476] to the cif file. | data_image0
_chemical_formula_structural P8N12O2
_chemical_formula_sum "P8 N12 O2"
_cell_length_a 6.10342947
_cell_length_b 6.82329096
_cell_length_c 6.83991406
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural P8N12O2Rn
_chemical_formula_sum "P8 N12 O2 Rn1"
_cell_length_a 6.10342947
_cell_length_b 6.82329096
_cell_length_c 6.83991406
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | 697bdaac-8b1c-4811-ac5d-00d0427cffbd | mp-849387 | Add one Bi atom at the Cartesian coordinate [3.157 9.653 2.661] to the cif file. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu6OF11Bi
_chemical_formula_sum "Cu6 O1 F11 Bi1"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_spa... |
AddAtomAction | 992c52c5-dc60-4b98-8899-72a619bd4939 | mp-1386638 | Add one Fr atom at the Cartesian coordinate [0.143 3.927 0.685] to the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16Fr
_chemical_formula_sum "Na5 Cu3 P4 O16 Fr1"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_... |
AddAtomAction | 49b82a98-2b97-4716-a061-10b1f6934a61 | mp-1112428 | Add one Ir atom at the Cartesian coordinate [8.442 2.507 3.523] to the cif file. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6Ir
_chemical_formula_sum "K2 Eu1 Au1 Cl6 Ir1"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.9999978... |
AddAtomAction | 57c9467a-3d80-4a7e-bd1d-7bfe14f90777 | mp-1026680 | Add one Co atom at the Cartesian coordinate [5.644 1.077 5.021] to the cif file. | data_image0
_chemical_formula_structural NaMg14Cr
_chemical_formula_sum "Na1 Mg14 Cr1"
_cell_length_a 6.37615542
_cell_length_b 6.41169348
_cell_length_c 10.25765607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.18455006
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural NaMg14CrCo
_chemical_formula_sum "Na1 Mg14 Cr1 Co1"
_cell_length_a 6.37615542
_cell_length_b 6.41169348
_cell_length_c 10.25765607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.18455006
_space_group_name_H-M_al... |
AddAtomAction | e47126b3-99d4-412a-b0c1-fffa2b2f9164 | mp-732227 | Add one Pu atom at the Cartesian coordinate [4.381 2.389 4.559] to the cif file. | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb4As4N4O16F8Pu
_chemical_formula_sum "Sb4 As4 N4 O16 F8 Pu1"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | 62e9602f-d2c6-4384-935c-88f69102753e | mp-1034797 | Add one Fm atom at the Cartesian coordinate [ 1.61 0.305 10.021] to the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural RbNaMg14O15Fm
_chemical_formula_sum "Rb1 Na1 Mg14 O15 Fm1"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | cfb4fee4-8982-4981-a872-ea49770c4389 | mp-1101792 | Add one Ir atom at the Cartesian coordinate [-0.845 3.97 5.071] to the cif file. | data_image0
_chemical_formula_structural Eu4Mg8
_chemical_formula_sum "Eu4 Mg8"
_cell_length_a 6.31314516
_cell_length_b 6.31314516
_cell_length_c 10.20866907
_cell_angle_alpha 89.99999702
_cell_angle_beta 89.99999702
_cell_angle_gamma 120.00021131
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Eu4Mg8Ir
_chemical_formula_sum "Eu4 Mg8 Ir1"
_cell_length_a 6.31314516
_cell_length_b 6.31314516
_cell_length_c 10.20866907
_cell_angle_alpha 89.99999702
_cell_angle_beta 89.99999702
_cell_angle_gamma 120.00021131
_space_group_name... |
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