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 | 714516c7-d93e-4f11-98e7-f5ee179f9faa | mp-1195405 | Add one Ra atom at the Cartesian coordinate [1.528 8.646 2.286] to the cif file. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho4Mn4Cu16P12Ra
_chemical_formula_sum "Ho4 Mn4 Cu16 P12 Ra1"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 76790131-90a6-4e7f-a9bf-e00e3f00eea4 | mp-767412 | Add one Rf atom at the Cartesian coordinate [5.633 5.908 1.289] to the cif file. | data_image0
_chemical_formula_structural Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... | data_image0
_chemical_formula_structural Li3Co4S8Rf
_chemical_formula_sum "Li3 Co4 S8 Rf1"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_... |
AddAtomAction | a72d3f8e-0067-400a-bbad-10fb5a4022e0 | mp-1208738 | Add one Nd atom at the Cartesian coordinate [6.031 2.611 0.255] to the cif file. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb12Ni6PbNd
_chemical_formula_sum "Tb12 Ni6 Pb1 Nd1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... |
AddAtomAction | 0eb68ff0-ddeb-4cb2-8553-31ecbb95f021 | mp-1080201 | Add one Ti atom at the Cartesian coordinate [0.903 1.887 2.079] to the cif file. | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_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_I... | data_image0
_chemical_formula_structural Re12N16Ti
_chemical_formula_sum "Re12 N16 Ti1"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_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... |
AddAtomAction | ff031a4d-519f-43a6-82eb-18f5b294600c | mp-1228475 | Add one Tm atom at the Cartesian coordinate [3.57 1.487 7.555] to the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28Tm
_chemical_formula_sum "Ba10 Mn2 Co8 O28 Tm1"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | 1bf91a1e-b419-4bc1-b3dc-c1f98c998678 | mp-25284 | Add one Bi atom at the Cartesian coordinate [1.253 0.343 2.253] to the cif file. | data_image0
_chemical_formula_structural Li2Mn4Ni2O12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_gr... | data_image0
_chemical_formula_structural Li2Mn4Ni2O12Bi
_chemical_formula_sum "Li2 Mn4 Ni2 O12 Bi1"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_sp... |
AddAtomAction | 67668030-9a54-43eb-9236-2aadaede3578 | mp-2233356 | Add one Ti atom at the Cartesian coordinate [ 0.665 -0.766 1.964] to the cif file. | data_image0
_chemical_formula_structural MgCu2AgS2O10
_chemical_formula_sum "Mg1 Cu2 Ag1 S2 O10"
_cell_length_a 5.89393351
_cell_length_b 5.8879384
_cell_length_c 7.52324581
_cell_angle_alpha 105.49813425
_cell_angle_beta 101.12880505
_cell_angle_gamma 114.72312795000002
... | data_image0
_chemical_formula_structural MgCu2AgS2O10Ti
_chemical_formula_sum "Mg1 Cu2 Ag1 S2 O10 Ti1"
_cell_length_a 5.89393351
_cell_length_b 5.8879384
_cell_length_c 7.52324581
_cell_angle_alpha 105.49813425
_cell_angle_beta 101.12880505
_cell_angle_gamma 114.7231279500... |
AddAtomAction | 2d0ff83d-d705-4bc0-9869-e0ae915fad95 | mp-1204342 | Add one N atom at the Cartesian coordinate [2.637 3.727 2.883] to the cif file. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32N
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32 N1"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
AddAtomAction | 728b67dc-3be7-47cf-b51c-6b71b53030fb | mp-1178408 | Add one In atom at the Cartesian coordinate [-2.022 4.554 8.014] to the cif file. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf4O12In
_chemical_formula_sum "Cs8 Hf4 O12 In1"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_... |
AddAtomAction | f797a4af-e2e3-43f7-bad7-e3cb2056a4fc | mp-732227 | Add one Na atom at the Cartesian coordinate [1.74 1.421 3.854] 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 Sb4As4N4O16F8Na
_chemical_formula_sum "Sb4 As4 N4 O16 F8 Na1"
_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 | a594145b-af90-4f46-bc3a-a0a4c19695a0 | mp-1204213 | Add one Pd atom at the Cartesian coordinate [7.605 2.755 1.407] to the cif file. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S14O60Pd
_chemical_formula_sum "Tb4 Nb4 S14 O60 Pd1"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | b0ae773d-1feb-4eb0-aedc-64671c4b22e0 | mp-1047596 | Add one K atom at the Cartesian coordinate [ 0.262 2.371 11.463] to the cif file. | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 Zn4Bi8O16K
_chemical_formula_sum "Zn4 Bi8 O16 K1"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 | 5ad6460f-3860-4c16-9832-f26b2ed22747 | mp-850196 | Add one Sm atom at the Cartesian coordinate [0.738 3.076 4.073] to the cif file. | data_image0
_chemical_formula_structural Li3V4O11F
_chemical_formula_sum "Li3 V4 O11 F1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_group_name... | data_image0
_chemical_formula_structural Li3V4O11FSm
_chemical_formula_sum "Li3 V4 O11 F1 Sm1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_grou... |
AddAtomAction | cadd1f18-88b1-4956-8e37-3b5aab849b7a | mp-2217302 | Add one H atom at the Cartesian coordinate [4.611 1.344 4.779] to the cif file. | data_image0
_chemical_formula_structural Ba2MgNi2O6
_chemical_formula_sum "Ba2 Mg1 Ni2 O6"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba2MgNi2O6H
_chemical_formula_sum "Ba2 Mg1 Ni2 O6 H1"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt ... |
AddAtomAction | ef3cc6b6-aac8-4663-87df-b86cef68cc6c | mp-1111109 | Add one Fm atom at the Cartesian coordinate [8.54 4.663 1.758] to the cif file. | data_image0
_chemical_formula_structural K2LiNbF6
_chemical_formula_sum "K2 Li1 Nb1 F6"
_cell_length_a 5.9279406
_cell_length_b 5.9279406
_cell_length_c 5.9279406
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural K2LiNbF6Fm
_chemical_formula_sum "K2 Li1 Nb1 F6 Fm1"
_cell_length_a 5.9279406
_cell_length_b 5.9279406
_cell_length_c 5.9279406
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
AddAtomAction | 9ec28fcc-0754-43fa-912b-b017f3477df1 | mp-1019897 | Add one Ne atom at the Cartesian coordinate [3.297 2.71 7.182] to the cif file. | data_image0
_chemical_formula_structural La4N4O16
_chemical_formula_sum "La4 N4 O16"
_cell_length_a 5.63928
_cell_length_b 7.303537
_cell_length_c 9.578525
_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 La4N4O16Ne
_chemical_formula_sum "La4 N4 O16 Ne1"
_cell_length_a 5.63928
_cell_length_b 7.303537
_cell_length_c 9.578525
_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 | 34119bb3-4164-48dd-83c2-c7c6a7369396 | mp-1209658 | Add one S atom at the Cartesian coordinate [2.114e+00 8.367e+00 8.000e-03] to the cif file. | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... | data_image0
_chemical_formula_structural Pr10C12Br6S
_chemical_formula_sum "Pr10 C12 Br6 S1"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_spa... |
AddAtomAction | 2f76871d-4ae1-4f7d-b8f8-b98db0eb5ffe | mp-1179989 | Add one Fr atom at the Cartesian coordinate [2.123 4.773 0.638] to the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I4N16Fr
_chemical_formula_sum "Pd2 C8 S8 I4 N16 Fr1"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8... |
AddAtomAction | 5d8f4508-a1a7-4f10-acee-6c5b1b270233 | mp-1043265 | Add one La atom at the Cartesian coordinate [-0.187 1.33 4.313] to the cif file. | data_image0
_chemical_formula_structural Zn2Fe4O10
_chemical_formula_sum "Zn2 Fe4 O10"
_cell_length_a 5.57547502
_cell_length_b 5.57547502
_cell_length_c 11.038242
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.60332246
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn2Fe4O10La
_chemical_formula_sum "Zn2 Fe4 O10 La1"
_cell_length_a 5.57547502
_cell_length_b 5.57547502
_cell_length_c 11.038242
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.60332246
_space_group_name_H-M_alt ... |
AddAtomAction | 26658a38-3777-41b6-bc51-1ab27135f367 | mp-1047241 | Add one Fr atom at the Cartesian coordinate [8.611 5.161 2.616] to the cif file. | data_image0
_chemical_formula_structural Ca2MoWO6
_chemical_formula_sum "Ca2 Mo1 W1 O6"
_cell_length_a 5.605692
_cell_length_b 5.62752861
_cell_length_c 5.714742600000001
_cell_angle_alpha 60.58340427000001
_cell_angle_beta 60.6781164
_cell_angle_gamma 60.79860257000001
_... | data_image0
_chemical_formula_structural Ca2MoWO6Fr
_chemical_formula_sum "Ca2 Mo1 W1 O6 Fr1"
_cell_length_a 5.605692
_cell_length_b 5.62752861
_cell_length_c 5.714742600000001
_cell_angle_alpha 60.58340427000001
_cell_angle_beta 60.6781164
_cell_angle_gamma 60.79860257000... |
AddAtomAction | 6b33ea8b-9bed-44f0-bc5a-6c02a85d1b86 | mp-1517569 | Add one Rg atom at the Cartesian coordinate [7.32 1.859 6.079] to the cif file. | data_image0
_chemical_formula_structural K4Eu4Sb4W4O24
_chemical_formula_sum "K4 Eu4 Sb4 W4 O24"
_cell_length_a 8.417926
_cell_length_b 8.40426722
_cell_length_c 8.44088553
_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 K4Eu4Sb4W4O24Rg
_chemical_formula_sum "K4 Eu4 Sb4 W4 O24 Rg1"
_cell_length_a 8.417926
_cell_length_b 8.40426722
_cell_length_c 8.44088553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | d22f1334-744a-4989-8780-c0ceeb9a4698 | mp-1237057 | Add one Br atom at the Cartesian coordinate [2.965 1.546 0.831] to the cif file. | data_image0
_chemical_formula_structural CaTi2PbO6
_chemical_formula_sum "Ca1 Ti2 Pb1 O6"
_cell_length_a 3.901259
_cell_length_b 3.901259
_cell_length_c 8.1786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural CaTi2PbO6Br
_chemical_formula_sum "Ca1 Ti2 Pb1 O6 Br1"
_cell_length_a 3.901259
_cell_length_b 3.901259
_cell_length_c 8.1786
_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 | c5670deb-af9f-4b18-9ee7-881b563ec716 | mp-29621 | Add one At atom at the Cartesian coordinate [5.802 5.274 7.496] to the cif file. | data_image0
_chemical_formula_structural Ba10Bi6
_chemical_formula_sum "Ba10 Bi6"
_cell_length_a 10.28896437
_cell_length_b 10.28890659
_cell_length_c 7.98879513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00024749999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Bi6At
_chemical_formula_sum "Ba10 Bi6 At1"
_cell_length_a 10.28896437
_cell_length_b 10.28890659
_cell_length_c 7.98879513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00024749999999
_space_group_name_H-M_... |
AddAtomAction | ed6edbf8-6284-4088-a012-cbe49308e23e | mp-753628 | Add one Pb atom at the Cartesian coordinate [0.207 2.492 8.172] to the cif file. | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li2V2F12Pb
_chemical_formula_sum "Li2 V2 F12 Pb1"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt ... |
AddAtomAction | b04c51ee-b200-4f8a-baa5-b40b4f24051a | mp-1021415 | Add one Fm atom at the Cartesian coordinate [0.091 2.596 8.196] to the cif file. | data_image0
_chemical_formula_structural La2Mg12Sn2
_chemical_formula_sum "La2 Mg12 Sn2"
_cell_length_a 5.253729
_cell_length_b 6.529946
_cell_length_c 11.951848
_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 La2Mg12Sn2Fm
_chemical_formula_sum "La2 Mg12 Sn2 Fm1"
_cell_length_a 5.253729
_cell_length_b 6.529946
_cell_length_c 11.951848
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 18ab1fc3-fd68-40b6-a531-2237b4cc2692 | mp-26995 | Add one Ho atom at the Cartesian coordinate [5.713 2.494 2.271] to the cif file. | data_image0
_chemical_formula_structural Li2Co2P4O14
_chemical_formula_sum "Li2 Co2 P4 O14"
_cell_length_a 8.123492
_cell_length_b 4.868697
_cell_length_c 6.99665678
_cell_angle_alpha 71.49315879
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2Co2P4O14Ho
_chemical_formula_sum "Li2 Co2 P4 O14 Ho1"
_cell_length_a 8.123492
_cell_length_b 4.868697
_cell_length_c 6.99665678
_cell_angle_alpha 71.49315879
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | 563b9710-df45-416d-abff-e9bd2a73e965 | mp-756816 | Add one Nh atom at the Cartesian coordinate [2.049 2.745 1.861] to the cif file. | data_image0
_chemical_formula_structural Li3Fe3O8
_chemical_formula_sum "Li3 Fe3 O8"
_cell_length_a 5.87904966
_cell_length_b 5.87904966
_cell_length_c 5.87904966
_cell_angle_alpha 121.9109234
_cell_angle_beta 118.711455
_cell_angle_gamma 89.48438635
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li3Fe3O8Nh
_chemical_formula_sum "Li3 Fe3 O8 Nh1"
_cell_length_a 5.87904966
_cell_length_b 5.87904966
_cell_length_c 5.87904966
_cell_angle_alpha 121.9109234
_cell_angle_beta 118.711455
_cell_angle_gamma 89.48438635
_space_group_na... |
AddAtomAction | 145cb5c7-ce0f-4c1b-8fd3-136241e01db6 | mp-661715 | Add one Te atom at the Cartesian coordinate [-0.412 -1.287 5.87 ] to the cif file. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2Te
_chemical_formula_sum "Ti2 S2 Cl12 O2 Te1"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_... |
AddAtomAction | 4c01efa1-27a6-4571-b4af-ffaeb588680b | mp-510581 | Add one Os atom at the Cartesian coordinate [-0.968 1.956 2.877] to the cif file. | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4
_chemical_formula_sum "Pr2 Ni2 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4Os
_chemical_formula_sum "Pr2 Ni2 Sn2 H4 Os1"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_... |
AddAtomAction | b62b6c0a-3ec7-439d-9782-c5e8f93c330c | mp-1227512 | Add one As atom at the Cartesian coordinate [3.461 7.573 2.376] to the cif file. | data_image0
_chemical_formula_structural Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 Bi8Se6S6As
_chemical_formula_sum "Bi8 Se6 S6 As1"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 | cdb80044-077c-488e-9c25-53f30b2a885d | mp-1201549 | Add one Os atom at the Cartesian coordinate [ 3.087 3.594 10.178] to the cif file. | data_image0
_chemical_formula_structural Fe2Sb12Pb8Se28
_chemical_formula_sum "Fe2 Sb12 Pb8 Se28"
_cell_length_a 20.154961
_cell_length_b 4.146023
_cell_length_c 16.841557159999997
_cell_angle_alpha 88.04478357
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Fe2Sb12Pb8Se28Os
_chemical_formula_sum "Fe2 Sb12 Pb8 Se28 Os1"
_cell_length_a 20.154961
_cell_length_b 4.146023
_cell_length_c 16.841557159999997
_cell_angle_alpha 88.04478357
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
AddAtomAction | b0bb8763-6046-4247-ad24-313cf88d1546 | mp-1021280 | Add one Zn atom at the Cartesian coordinate [2.919 3.874 0.793] to the cif file. | data_image0
_chemical_formula_structural Li2Mg12Bi2
_chemical_formula_sum "Li2 Mg12 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 Li2Mg12Bi2Zn
_chemical_formula_sum "Li2 Mg12 Bi2 Zn1"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 | 1f415b28-96f1-4a3d-8bef-c1c39fa3b94a | mp-1217800 | Add one N atom at the Cartesian coordinate [14.644 1.994 8.774] to the cif file. | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... | data_image0
_chemical_formula_structural Ta12MoO33N
_chemical_formula_sum "Ta12 Mo1 O33 N1"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.396972... |
AddAtomAction | 10820a05-fcc4-4065-bb58-2af3f0c1eaaf | mp-773076 | Add one Se atom at the Cartesian coordinate [5.551 1.486 2.349] to the cif file. | data_image0
_chemical_formula_structural Li8Co16O32
_chemical_formula_sum "Li8 Co16 O32"
_cell_length_a 8.056096
_cell_length_b 8.056096
_cell_length_c 8.056096
_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 Li8Co16O32Se
_chemical_formula_sum "Li8 Co16 O32 Se1"
_cell_length_a 8.056096
_cell_length_b 8.056096
_cell_length_c 8.056096
_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 | 10dbbd71-025b-49ae-882b-345e12063d61 | mp-1188770 | Add one Lr atom at the Cartesian coordinate [5.308 1.803 3.543] to the cif file. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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... | data_image0
_chemical_formula_structural Er12Co4Lr
_chemical_formula_sum "Er12 Co4 Lr1"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
AddAtomAction | 9da4eb81-4a29-497b-8fa4-d33c98483922 | mp-1037998 | Add one Am atom at the Cartesian coordinate [2.425 4.587 4.357] 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 Mg30AlCdO32Am
_chemical_formula_sum "Mg30 Al1 Cd1 O32 Am1"
_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 ... |
AddAtomAction | 1c896936-90b6-48d5-a19c-aee1b0697742 | mp-2227915 | Add one Hs atom at the Cartesian coordinate [ 2.264 1.34 11.574] to the cif file. | data_image0
_chemical_formula_structural MgTe4Mo3WS4
_chemical_formula_sum "Mg1 Te4 Mo3 W1 S4"
_cell_length_a 3.38244389
_cell_length_b 3.3819439799999995
_cell_length_c 41.22090745
_cell_angle_alpha 90.00130695999998
_cell_angle_beta 90.11736892000002
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural MgTe4Mo3WS4Hs
_chemical_formula_sum "Mg1 Te4 Mo3 W1 S4 Hs1"
_cell_length_a 3.38244389
_cell_length_b 3.3819439799999995
_cell_length_c 41.22090745
_cell_angle_alpha 90.00130695999998
_cell_angle_beta 90.11736892000002
_cell_angle_gamma... |
AddAtomAction | 28e5ce49-604e-4a2b-8b53-63b0c80786ee | mp-1228475 | Add one Cd atom at the Cartesian coordinate [1.376 7.131 6.193] to the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28Cd
_chemical_formula_sum "Ba10 Mn2 Co8 O28 Cd1"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | 2cbf32dc-5394-4889-b0b4-1211e6436f69 | mp-17620 | Add one Db atom at the Cartesian coordinate [6.175 0.013 1.752] to the cif file. | data_image0
_chemical_formula_structural Tm6B6O18
_chemical_formula_sum "Tm6 B6 O18"
_cell_length_a 6.56371394
_cell_length_b 6.56371394
_cell_length_c 8.686243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999941
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tm6B6O18Db
_chemical_formula_sum "Tm6 B6 O18 Db1"
_cell_length_a 6.56371394
_cell_length_b 6.56371394
_cell_length_c 8.686243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999941
_space_group_name_H-M_alt ... |
AddAtomAction | c1a51a68-aea9-4e1b-9f70-a9570b067938 | mp-777800 | Add one Ti atom at the Cartesian coordinate [2.788 1.249 4.287] to the cif file. | data_image0
_chemical_formula_structural Fe4O6F2
_chemical_formula_sum "Fe4 O6 F2"
_cell_length_a 5.58597388
_cell_length_b 5.58597388
_cell_length_c 4.69974869
_cell_angle_alpha 86.87530886
_cell_angle_beta 86.87530886
_cell_angle_gamma 65.441805
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Fe4O6F2Ti
_chemical_formula_sum "Fe4 O6 F2 Ti1"
_cell_length_a 5.58597388
_cell_length_b 5.58597388
_cell_length_c 4.69974869
_cell_angle_alpha 86.87530886
_cell_angle_beta 86.87530886
_cell_angle_gamma 65.441805
_space_group_name_... |
AddAtomAction | 9fa35ed7-bdf7-49a5-b4b6-5b77d0b6c4bf | mp-697170 | Add one Ti atom at the Cartesian coordinate [1.544 1.714 8.318] to the cif file. | data_image0
_chemical_formula_structural Mg4H24Br8N8
_chemical_formula_sum "Mg4 H24 Br8 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_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 Mg4H24Br8N8Ti
_chemical_formula_sum "Mg4 H24 Br8 N8 Ti1"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | eaa5cf98-deac-410c-8ba3-de8fa0fef994 | mp-757411 | Add one Gd atom at the Cartesian coordinate [6.958 5.173 4.676] to the cif file. | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... | data_image0
_chemical_formula_structural Li8Co4P8O28Gd
_chemical_formula_sum "Li8 Co4 P8 O28 Gd1"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_... |
AddAtomAction | 41a492d3-b0ae-4851-8b4e-c78106304f7e | mp-1036398 | Add one Hs atom at the Cartesian coordinate [8.275e+00 4.754e+00 2.000e-03] to the cif file. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_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 Mg14AlBO16Hs
_chemical_formula_sum "Mg14 Al1 B1 O16 Hs1"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 419a9a74-32b5-43e3-88e2-b3ab0dfb8acc | mp-1046855 | Add one Ag atom at the Cartesian coordinate [5.478 2.476 3.859] to the cif file. | data_image0
_chemical_formula_structural Ca2Sb4O8
_chemical_formula_sum "Ca2 Sb4 O8"
_cell_length_a 6.94412517
_cell_length_b 6.944125170000001
_cell_length_c 6.94412517
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Ca2Sb4O8Ag
_chemical_formula_sum "Ca2 Sb4 O8 Ag1"
_cell_length_a 6.94412517
_cell_length_b 6.944125170000001
_cell_length_c 6.94412517
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
AddAtomAction | 55e1672f-c51f-4363-b707-ce370363945f | mp-570610 | Add one Po atom at the Cartesian coordinate [0.95 3.575 7.873] to the cif file. | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cd13I26Po
_chemical_formula_sum "Cd13 I26 Po1"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt ... |
AddAtomAction | 55b82595-3a7a-45f7-ae78-e7c60c5ca519 | mp-1175691 | Add one Cl atom at the Cartesian coordinate [2.969 1.427 3.851] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Cl
_chemical_formula_sum "Li9 Mn2 Co5 O16 Cl1"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.3025... |
AddAtomAction | 3a713ea8-faf1-4484-835d-47f6bb654560 | mp-1218051 | Add one Ba atom at the Cartesian coordinate [ 2.576 0.095 10.914] to the cif file. | data_image0
_chemical_formula_structural Ta4MoS8
_chemical_formula_sum "Ta4 Mo1 S8"
_cell_length_a 3.32250052
_cell_length_b 3.32250052
_cell_length_c 25.410429
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001028000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta4MoS8Ba
_chemical_formula_sum "Ta4 Mo1 S8 Ba1"
_cell_length_a 3.32250052
_cell_length_b 3.32250052
_cell_length_c 25.410429
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001028000001
_space_group_name_H-M_a... |
AddAtomAction | ef437265-1f09-4b0e-a33c-3ace60bc0eda | mp-782632 | Add one Po atom at the Cartesian coordinate [1.289 7.902 4.031] to the cif file. | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Ni8S16O64Po
_chemical_formula_sum "Li8 Ni8 S16 O64 Po1"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
AddAtomAction | cd5592b5-f83a-4123-b67c-3d8969b54902 | mp-1074751 | Add one At atom at the Cartesian coordinate [4.73 6.611 2.93 ] to the cif file. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.96411
_cell_length_b 6.031043
_cell_length_c 7.63054751
_cell_angle_alpha 66.95852602
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Mg8Si4At
_chemical_formula_sum "Mg8 Si4 At1"
_cell_length_a 5.96411
_cell_length_b 6.031043
_cell_length_c 7.63054751
_cell_angle_alpha 66.95852602
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
AddAtomAction | 10340b4f-c72f-4113-9e5a-1f928152f6c8 | mp-1207428 | Add one Pa atom at the Cartesian coordinate [2.695 3.868 5.996] to the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4Pa
_chemical_formula_sum "Zr4 Ni4 As4 Pa1"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 053691e8-cc2a-4012-9200-0baaf048e45c | mp-567381 | Add one Es atom at the Cartesian coordinate [29.742 3.554 0.477] to the cif file. | data_image0
_chemical_formula_structural K4Hg4C8
_chemical_formula_sum "K4 Hg4 C8"
_cell_length_a 17.91584894
_cell_length_b 17.486908269999997
_cell_length_c 5.171992299999999
_cell_angle_alpha 86.33461668
_cell_angle_beta 76.92162255
_cell_angle_gamma 16.743760769999987
... | data_image0
_chemical_formula_structural K4Hg4C8Es
_chemical_formula_sum "K4 Hg4 C8 Es1"
_cell_length_a 17.91584894
_cell_length_b 17.486908269999997
_cell_length_c 5.171992299999999
_cell_angle_alpha 86.33461668
_cell_angle_beta 76.92162255
_cell_angle_gamma 16.7437607699... |
AddAtomAction | 4c77f226-ec66-416b-883b-35d2e92e0c56 | mp-1508 | Add one Tc atom at the Cartesian coordinate [3.705 0.6 1.97 ] to the cif file. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 La8S16Tc
_chemical_formula_sum "La8 S16 Tc1"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 | 4af254f3-1e63-482f-8558-762a4a962ac4 | mp-781738 | Add one Mn atom at the Cartesian coordinate [13.735 4.129 4.927] to the cif file. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O32Mn
_chemical_formula_sum "Na12 V4 B8 S2 O32 Mn1"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.... |
AddAtomAction | 11fec29e-f0f9-49a6-8395-515fb15191aa | mp-766361 | Add one Pt atom at the Cartesian coordinate [6.749 1.105 0.103] to the cif file. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb20O50Pt
_chemical_formula_sum "Nb20 O50 Pt1"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_na... |
AddAtomAction | 8133986f-5c5d-414f-aa68-24efe0c4675c | mp-1173920 | Add one Am atom at the Cartesian coordinate [1.904 3.638 0.018] to the cif file. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_g... | data_image0
_chemical_formula_structural Li4Mn2Co2O8Am
_chemical_formula_sum "Li4 Mn2 Co2 O8 Am1"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_s... |
AddAtomAction | 7061d0c1-d2c9-4909-91d9-f4ef9bea2154 | mp-1193845 | Add one Db atom at the Cartesian coordinate [10.944 6.251 3.913] to the cif file. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al7Cu16Db
_chemical_formula_sum "Ho6 Al7 Cu16 Db1"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
AddAtomAction | f3a42e31-6e1c-4b2f-b88f-2084d7bca8e7 | mp-1207428 | Add one Hf atom at the Cartesian coordinate [3.377 4.191 0.308] to the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4Hf
_chemical_formula_sum "Zr4 Ni4 As4 Hf1"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | ef02c452-361d-45f5-a885-bd366d37521a | mp-756426 | Add one Er atom at the Cartesian coordinate [-0.217 3.79 0.964] to the cif file. | data_image0
_chemical_formula_structural Zr2Nb2O8
_chemical_formula_sum "Zr2 Nb2 O8"
_cell_length_a 6.36032836
_cell_length_b 6.36032836
_cell_length_c 5.14539008
_cell_angle_alpha 68.33015732
_cell_angle_beta 68.33015732
_cell_angle_gamma 113.67927965
_space_group_name_H... | data_image0
_chemical_formula_structural Zr2Nb2O8Er
_chemical_formula_sum "Zr2 Nb2 O8 Er1"
_cell_length_a 6.36032836
_cell_length_b 6.36032836
_cell_length_c 5.14539008
_cell_angle_alpha 68.33015732
_cell_angle_beta 68.33015732
_cell_angle_gamma 113.67927965
_space_group_... |
AddAtomAction | 34f53acf-bbac-470d-a2d0-f61f09ab7e05 | mp-2223616 | Add one Ho atom at the Cartesian coordinate [-1.196 2.169 3.003] 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 MgCuH4O2F2Ho
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2 Ho1"
_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 | 1df97ad0-5361-4873-a3e5-8de507194617 | mp-4279 | Add one Cr atom at the Cartesian coordinate [5.699 4.611 6.136] to the cif file. | data_image0
_chemical_formula_structural Ca4Ge8O20
_chemical_formula_sum "Ca4 Ge8 O20"
_cell_length_a 5.73313539
_cell_length_b 7.32176262
_cell_length_c 8.30649173
_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 Ca4Ge8O20Cr
_chemical_formula_sum "Ca4 Ge8 O20 Cr1"
_cell_length_a 5.73313539
_cell_length_b 7.32176262
_cell_length_c 8.30649173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 2fec2d27-9ad6-4c7c-ac22-2846a31448a7 | mp-30012 | Add one Lu atom at the Cartesian coordinate [0.642 4.084 2.595] to the cif file. | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Bi4Kr4F28Lu
_chemical_formula_sum "Bi4 Kr4 F28 Lu1"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 45e655e9-e9ed-492a-b53f-188399311b91 | mp-740718 | Add one Sr atom at the Cartesian coordinate [ 2.611 0.021 12.105] to the cif file. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24Sr
_chemical_formula_sum "Al8 H48 N16 Cl24 Sr1"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | eda4b7cd-5f7f-4950-a32e-fb0106660630 | mp-752785 | Add one Np atom at the Cartesian coordinate [1.245 4.547 0.891] to the cif file. | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4U4O17Np
_chemical_formula_sum "Sm4 U4 O17 Np1"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_nam... |
AddAtomAction | ac67d3fb-42d7-43b2-8ca9-202ffd4fe12f | mp-721707 | Add one Fe atom at the Cartesian coordinate [3.874 5.322 7.1 ] to the cif file. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H24C12N16O12Fe
_chemical_formula_sum "H24 C12 N16 O12 Fe1"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86... |
AddAtomAction | 91b779d9-7597-4ca0-9b42-113c63598b2c | mp-1078280 | Add one Hf atom at the Cartesian coordinate [7.412 4.031 0.045] to the cif file. | data_image0
_chemical_formula_structural Ca4Ga2Pd4
_chemical_formula_sum "Ca4 Ga2 Pd4"
_cell_length_a 5.71127494
_cell_length_b 5.71127494
_cell_length_c 7.784373920000001
_cell_angle_alpha 78.83040982
_cell_angle_beta 78.83040982
_cell_angle_gamma 59.933964769999996
_spa... | data_image0
_chemical_formula_structural Ca4Ga2Pd4Hf
_chemical_formula_sum "Ca4 Ga2 Pd4 Hf1"
_cell_length_a 5.71127494
_cell_length_b 5.71127494
_cell_length_c 7.784373920000001
_cell_angle_alpha 78.83040982
_cell_angle_beta 78.83040982
_cell_angle_gamma 59.933964769999996... |
AddAtomAction | 4680aff2-c80a-46b9-888c-16f3b03d0b2a | mp-2228948 | Add one Co atom at the Cartesian coordinate [2.447 6.019 2.615] to the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10Co
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10 Co1"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102... |
AddAtomAction | 04c39bf3-76a5-4937-89d7-377e552c551f | mp-1078929 | Add one Tm atom at the Cartesian coordinate [-1.554 2.71 5.55 ] to the cif file. | data_image0
_chemical_formula_structural Hg4Br4N2
_chemical_formula_sum "Hg4 Br4 N2"
_cell_length_a 7.20815582
_cell_length_b 7.208155820000001
_cell_length_c 6.247823
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999833000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Hg4Br4N2Tm
_chemical_formula_sum "Hg4 Br4 N2 Tm1"
_cell_length_a 7.20815582
_cell_length_b 7.208155820000001
_cell_length_c 6.247823
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999833000001
_space_group_nam... |
AddAtomAction | 5f3aa6ac-6e71-41c8-8a3d-a22d9b4b0452 | mp-1212544 | Add one Fl atom at the Cartesian coordinate [10.184 7.798 3.269] to the cif file. | data_image0
_chemical_formula_structural Na3V3H6O7
_chemical_formula_sum "Na3 V3 H6 O7"
_cell_length_a 11.36722494
_cell_length_b 9.53428863
_cell_length_c 9.20006227
_cell_angle_alpha 116.24429008
_cell_angle_beta 99.17871412
_cell_angle_gamma 91.60163884
_space_group_na... | data_image0
_chemical_formula_structural Na3V3H6O7Fl
_chemical_formula_sum "Na3 V3 H6 O7 Fl1"
_cell_length_a 11.36722494
_cell_length_b 9.53428863
_cell_length_c 9.20006227
_cell_angle_alpha 116.24429008
_cell_angle_beta 99.17871412
_cell_angle_gamma 91.60163884
_space_gr... |
AddAtomAction | 894f88e5-6505-4b00-95c7-ed4070eec785 | mp-771136 | Add one Sn atom at the Cartesian coordinate [3.882 3.721 1.758] to the cif file. | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... | data_image0
_chemical_formula_structural Ho4Se6O24Sn
_chemical_formula_sum "Ho4 Se6 O24 Sn1"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space... |
AddAtomAction | 856cf4d0-7cd7-490b-bad4-2fb529e1d7a1 | mp-775339 | Add one P atom at the Cartesian coordinate [5.462 0.672 0.459] to the cif file. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si12O30P
_chemical_formula_sum "Li4 V2 Si12 O30 P1"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma ... |
AddAtomAction | c0b36ead-7341-467f-99b1-925a93f1813f | mp-1213259 | Add one Li atom at the Cartesian coordinate [ 4.27 6.09 17.654] to the cif file. | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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... | data_image0
_chemical_formula_structural Mn32Sn20Li
_chemical_formula_sum "Mn32 Sn20 Li1"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
AddAtomAction | 9d988b6a-279e-495e-96ed-e9e8eea3ec54 | mp-1226671 | Add one Ar atom at the Cartesian coordinate [-0.639 1.504 5.705] to the cif file. | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... | data_image0
_chemical_formula_structural Co4P6H22N4O18Ar
_chemical_formula_sum "Co4 P6 H22 N4 O18 Ar1"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_gro... |
AddAtomAction | f363c3fd-0730-4e1e-be5d-09c9c79c15ae | mp-1173581 | Add one Cl atom at the Cartesian coordinate [0.143 1.137 5.357] to the cif file. | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_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 Na8Ti8P8O40Cl
_chemical_formula_sum "Na8 Ti8 P8 O40 Cl1"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 52c5a9b0-edfe-4391-87d2-f2d7d561cb1f | mp-1233593 | Add one Hs atom at the Cartesian coordinate [2.235 1.711 5.008] to the cif file. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O16Hs
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16 Hs1"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378... |
AddAtomAction | ac916a41-f447-412b-8514-b50cfe6c1710 | mp-2226963 | Add one Og atom at the Cartesian coordinate [4.009 4.499 4.955] to the cif file. | data_image0
_chemical_formula_structural Rb3NaMgW2O8
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_gr... | data_image0
_chemical_formula_structural Rb3NaMgW2O8Og
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8 Og1"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_sp... |
AddAtomAction | c91109bd-e58e-4a3c-9ec0-0be84316f785 | mp-1198084 | Add one Cm atom at the Cartesian coordinate [13.274 7.302 2.574] to the cif file. | data_image0
_chemical_formula_structural Ca6S6O27
_chemical_formula_sum "Ca6 S6 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... | data_image0
_chemical_formula_structural Ca6S6O27Cm
_chemical_formula_sum "Ca6 S6 O27 Cm1"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565... |
AddAtomAction | fae59bb9-7f63-442e-a3ab-3f4864fe7a81 | mp-770417 | Add one Pr atom at the Cartesian coordinate [6.677 4.74 4.423] 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 Li4Mn2VNi3P6O24Pr
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24 Pr1"
_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 | e2913969-b04b-4afd-85cc-6f61b8923212 | mp-1245067 | Add one Sb atom at the Cartesian coordinate [4.589 4.901 0.394] to the cif file. | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... | data_image0
_chemical_formula_structural Al100Sb
_chemical_formula_sum "Al100 Sb1"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_... |
AddAtomAction | b67c9ecc-c2ee-4637-8884-6b6b3bf7a2d5 | mp-754801 | Add one La atom at the Cartesian coordinate [6.995 2.067 0.17 ] to the cif file. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O13La
_chemical_formula_sum "Li3 Ti6 O13 La1"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_spac... |
AddAtomAction | 9b495e17-fd28-4b00-bb69-478760c83a90 | mp-1185731 | Add one Th atom at the Cartesian coordinate [ 4.337 10.355 5.178] to the cif file. | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... | data_image0
_chemical_formula_structural Mg16ScAl12Th
_chemical_formula_sum "Mg16 Sc1 Al12 Th1"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206... |
AddAtomAction | 2feb8339-06b7-4313-9ef2-0b19ce959aaa | mp-1111627 | Add one Ge atom at the Cartesian coordinate [6.297 1.392 3.658] to the cif file. | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2NaPdF6Ge
_chemical_formula_sum "K2 Na1 Pd1 F6 Ge1"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... |
AddAtomAction | 7d590151-5727-4f35-8ce0-15d56c5d756d | mp-1174239 | Add one Bh atom at the Cartesian coordinate [6.257 3.958 9.602] to the cif file. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8Co6O14Bh
_chemical_formula_sum "Li8 Co6 O14 Bh1"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_n... |
AddAtomAction | 7d3c145c-88b5-4c73-9e78-26ea88025d56 | mp-558194 | Add one Ge atom at the Cartesian coordinate [5.324 1.627 0.19 ] to the cif file. | data_image0
_chemical_formula_structural Na2La2Mg2W2O12
_chemical_formula_sum "Na2 La2 Mg2 W2 O12"
_cell_length_a 5.60498325
_cell_length_b 5.604983250000001
_cell_length_c 7.958433200000001
_cell_angle_alpha 89.95392383
_cell_angle_beta 89.95392383
_cell_angle_gamma 90.61... | data_image0
_chemical_formula_structural Na2La2Mg2W2O12Ge
_chemical_formula_sum "Na2 La2 Mg2 W2 O12 Ge1"
_cell_length_a 5.60498325
_cell_length_b 5.604983250000001
_cell_length_c 7.958433200000001
_cell_angle_alpha 89.95392383
_cell_angle_beta 89.95392383
_cell_angle_gamma ... |
AddAtomAction | f9fd7cf9-ae1f-49fb-9ebd-c06867212617 | mp-779083 | Add one Ni atom at the Cartesian coordinate [5.739 4.883 0.833] to the cif file. | data_image0
_chemical_formula_structural Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... | data_image0
_chemical_formula_structural Li2V3SnO8Ni
_chemical_formula_sum "Li2 V3 Sn1 O8 Ni1"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_gro... |
AddAtomAction | acdc3446-f248-4d61-a60c-880515b67bb8 | mp-562403 | Add one Hf atom at the Cartesian coordinate [2.315 1.716 0.827] to the cif file. | data_image0
_chemical_formula_structural Cs4As4O4F16
_chemical_formula_sum "Cs4 As4 O4 F16"
_cell_length_a 6.48014715
_cell_length_b 5.12260146
_cell_length_c 14.13646541
_cell_angle_alpha 83.90329683
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4As4O4F16Hf
_chemical_formula_sum "Cs4 As4 O4 F16 Hf1"
_cell_length_a 6.48014715
_cell_length_b 5.12260146
_cell_length_c 14.13646541
_cell_angle_alpha 83.90329683
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | caf5a0aa-1e39-44c0-b02b-497ee71d91fb | mp-29185 | Add one Sr atom at the Cartesian coordinate [0.18 0.533 4.42 ] to the cif file. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O6F4Sr
_chemical_formula_sum "Te4 O6 F4 Sr1"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.6783140999999... |
AddAtomAction | 82c6f5a7-08ca-4459-97d5-c0252cf74fea | mp-776521 | Add one Nd atom at the Cartesian coordinate [15.039 8.914 5.215] to the cif file. | data_image0
_chemical_formula_structural Ti3V2SbP6O24
_chemical_formula_sum "Ti3 V2 Sb1 P6 O24"
_cell_length_a 8.68819717
_cell_length_b 8.68819717
_cell_length_c 8.68819765
_cell_angle_alpha 60.802887500000004
_cell_angle_beta 60.802887500000004
_cell_angle_gamma 60.80288... | data_image0
_chemical_formula_structural Ti3V2SbP6O24Nd
_chemical_formula_sum "Ti3 V2 Sb1 P6 O24 Nd1"
_cell_length_a 8.68819717
_cell_length_b 8.68819717
_cell_length_c 8.68819765
_cell_angle_alpha 60.802887500000004
_cell_angle_beta 60.802887500000004
_cell_angle_gamma 60... |
AddAtomAction | 5eaba902-d31b-4098-9368-4327e23b9bb9 | mp-1188903 | Add one Mc atom at the Cartesian coordinate [2.428 3.522 3.839] to the cif file. | data_image0
_chemical_formula_structural Pt2Cl8O10
_chemical_formula_sum "Pt2 Cl8 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_nam... | data_image0
_chemical_formula_structural Pt2Cl8O10Mc
_chemical_formula_sum "Pt2 Cl8 O10 Mc1"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_gro... |
AddAtomAction | b25ee751-23fd-4f77-81f4-21eed2df7753 | mp-1016677 | Add one Ge atom at the Cartesian coordinate [0.292 3.828 6.904] to the cif file. | data_image0
_chemical_formula_structural Mg12Cr2C2
_chemical_formula_sum "Mg12 Cr2 C2"
_cell_length_a 3.111152
_cell_length_b 9.703971
_cell_length_c 10.344159
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Mg12Cr2C2Ge
_chemical_formula_sum "Mg12 Cr2 C2 Ge1"
_cell_length_a 3.111152
_cell_length_b 9.703971
_cell_length_c 10.344159
_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 | 3cb51885-4b89-4160-8e14-0357f3ebc22c | mp-1194096 | Add one Na atom at the Cartesian coordinate [3.965 7.681 5.109] to the cif file. | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... | data_image0
_chemical_formula_structural Sr8Ni4Se12O36Na
_chemical_formula_sum "Sr8 Ni4 Se12 O36 Na1"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 1... |
AddAtomAction | b40895bc-229a-4c7f-9f79-5f91e1bc8d69 | mp-761020 | Add one Xe atom at the Cartesian coordinate [6.459 2.106 6.281] to the cif file. | data_image0
_chemical_formula_structural Co8O4F12
_chemical_formula_sum "Co8 O4 F12"
_cell_length_a 5.61457836
_cell_length_b 5.61457836
_cell_length_c 10.15479898
_cell_angle_alpha 70.44611164
_cell_angle_beta 70.44611164
_cell_angle_gamma 67.69860746
_space_group_name_H... | data_image0
_chemical_formula_structural Co8O4F12Xe
_chemical_formula_sum "Co8 O4 F12 Xe1"
_cell_length_a 5.61457836
_cell_length_b 5.61457836
_cell_length_c 10.15479898
_cell_angle_alpha 70.44611164
_cell_angle_beta 70.44611164
_cell_angle_gamma 67.69860746
_space_group_... |
AddAtomAction | 1945c960-c2bc-4468-8bdd-61fc204d32bc | mp-1047132 | Add one Fr atom at the Cartesian coordinate [6.987 5.82 0.4 ] to the cif file. | data_image0
_chemical_formula_structural Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... | data_image0
_chemical_formula_structural Ca2Ag4O8Fr
_chemical_formula_sum "Ca2 Ag4 O8 Fr1"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
... |
AddAtomAction | b87292c6-93e3-4d86-a55d-5d705ce1c103 | mp-626083 | Add one Er atom at the Cartesian coordinate [3.014 0.037 0.401] to the cif file. | data_image0
_chemical_formula_structural Si4H4O10
_chemical_formula_sum "Si4 H4 O10"
_cell_length_a 8.9706373
_cell_length_b 8.9706373
_cell_length_c 5.22221603
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_gamma 37.204511430000004
_space_group_na... | data_image0
_chemical_formula_structural Si4H4O10Er
_chemical_formula_sum "Si4 H4 O10 Er1"
_cell_length_a 8.9706373
_cell_length_b 8.9706373
_cell_length_c 5.22221603
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_gamma 37.204511430000004
_space_gr... |
AddAtomAction | fffd323d-0965-4977-a18f-58cd4a989381 | mp-19265 | Add one Ti atom at the Cartesian coordinate [0.146 5.039 4.648] to the cif file. | data_image0
_chemical_formula_structural Dy4Ni4O12
_chemical_formula_sum "Dy4 Ni4 O12"
_cell_length_a 5.15399503
_cell_length_b 5.49893767
_cell_length_c 7.390526829999999
_cell_angle_alpha 89.99977502
_cell_angle_beta 89.99809542
_cell_angle_gamma 90.00004845000001
_spac... | data_image0
_chemical_formula_structural Dy4Ni4O12Ti
_chemical_formula_sum "Dy4 Ni4 O12 Ti1"
_cell_length_a 5.15399503
_cell_length_b 5.49893767
_cell_length_c 7.390526829999999
_cell_angle_alpha 89.99977502
_cell_angle_beta 89.99809542
_cell_angle_gamma 90.00004845000001
... |
AddAtomAction | 922b52f8-a812-4244-83f4-1634ca7c189b | mp-1042880 | Add one Ta atom at the Cartesian coordinate [1.287 3.741 1.181] to the cif file. | data_image0
_chemical_formula_structural Zn4Ni6O16
_chemical_formula_sum "Zn4 Ni6 O16"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn4Ni6O16Ta
_chemical_formula_sum "Zn4 Ni6 O16 Ta1"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt ... |
AddAtomAction | c050a286-6a2b-46a6-aa1a-46846edf8e45 | mp-753857 | Add one Lu atom at the Cartesian coordinate [4.987 0.926 0.046] to the cif file. | data_image0
_chemical_formula_structural Mn4O4F6
_chemical_formula_sum "Mn4 O4 F6"
_cell_length_a 5.55561473
_cell_length_b 5.55561473
_cell_length_c 6.933818450000001
_cell_angle_alpha 73.05685679
_cell_angle_beta 73.05685679
_cell_angle_gamma 54.0499085
_space_group_nam... | data_image0
_chemical_formula_structural Mn4O4F6Lu
_chemical_formula_sum "Mn4 O4 F6 Lu1"
_cell_length_a 5.55561473
_cell_length_b 5.55561473
_cell_length_c 6.933818450000001
_cell_angle_alpha 73.05685679
_cell_angle_beta 73.05685679
_cell_angle_gamma 54.0499085
_space_gro... |
AddAtomAction | 55cf5894-5d7a-413a-96d8-3da6c3d2224f | mp-759335 | Add one Al atom at the Cartesian coordinate [4.832 7.031 4.474] to the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V6P16O58Al
_chemical_formula_sum "Li10 V6 P16 O58 Al1"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space... |
AddAtomAction | 0402dac6-b7f1-42fa-81c8-0770fa3e5e14 | mp-1212504 | Add one Eu atom at the Cartesian coordinate [ 3.887 11.517 8.59 ] to the cif file. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P12H20W4O36Eu
_chemical_formula_sum "Nd8 P12 H20 W4 O36 Eu1"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
AddAtomAction | 9710e79b-d4b6-4a87-a116-e50669a3720d | mp-1028120 | Add one Ga atom at the Cartesian coordinate [-1.506 3.406 0.549] to the cif file. | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural CaMg14CGa
_chemical_formula_sum "Ca1 Mg14 C1 Ga1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt ... |
AddAtomAction | 08dab14f-bebe-4666-922c-e1eabd4c70c0 | mp-606121 | Add one Be atom at the Cartesian coordinate [-3.593 1.88 5.987] to the cif file. | data_image0
_chemical_formula_structural Ce4Bi10Rh6
_chemical_formula_sum "Ce4 Bi10 Rh6"
_cell_length_a 13.88962224
_cell_length_b 13.88962224
_cell_length_c 7.577222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.66538879
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Bi10Rh6Be
_chemical_formula_sum "Ce4 Bi10 Rh6 Be1"
_cell_length_a 13.88962224
_cell_length_b 13.88962224
_cell_length_c 7.577222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.66538879
_space_group_name_H-M_a... |
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