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 |
|---|---|---|---|---|---|
ChangeAtomAction | 19474a1c-6305-45fa-b4e8-72f0c0e27ba9 | mp-24674 | Change the atom at index 4 into Bi in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be6P4H8O20
_chemical_formula_sum "Be6 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_gr... | data_image0
_chemical_formula_structural Be4BiBeP4H8O20
_chemical_formula_sum "Be5 Bi1 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_... |
ChangeAtomAction | a2c4191c-8e93-42a4-9caa-6fb8f8908fa4 | mp-1213937 | Change the atom at index 30 into Li in the cif file. The indices of atoms are started from 0. | 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 Cr10Cu2Ge4O14LiO9
_chemical_formula_sum "Cr10 Cu2 Ge4 O23 Li1"
_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_gro... |
ChangeAtomAction | 4f6aa124-1b39-4b72-b7d8-343f66a367af | mp-1112637 | Change the atom at index 6 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2TlCuF6
_chemical_formula_sum "Cs2 Tl1 Cu1 F6"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Cs2TlCuF2TbF3
_chemical_formula_sum "Cs2 Tl1 Cu1 F5 Tb1"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
ChangeAtomAction | d217326e-ad4f-4b26-84a8-10f47a114c6a | mp-1245065 | Change the atom at index 20 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al40O60
_chemical_formula_sum "Al40 O60"
_cell_length_a 10.70168287
_cell_length_b 10.210161070000002
_cell_length_c 10.265134760000002
_cell_angle_alpha 94.11714713
_cell_angle_beta 87.6274472
_cell_angle_gamma 99.61043361999998
_... | data_image0
_chemical_formula_structural Al20BrAl19O60
_chemical_formula_sum "Al39 Br1 O60"
_cell_length_a 10.70168287
_cell_length_b 10.210161070000002
_cell_length_c 10.265134760000002
_cell_angle_alpha 94.11714713
_cell_angle_beta 87.6274472
_cell_angle_gamma 99.6104336... |
ChangeAtomAction | a47a6005-65bf-4c56-b327-35384bc00d15 | mp-769928 | Change the atom at index 8 into Nd in the cif file. The indices of atoms are started from 0. | 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 Li4NbV3NdO7
_chemical_formula_sum "Li4 Nb1 V3 Nd1 O7"
_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... |
ChangeAtomAction | c90ab835-6098-41aa-b5ab-d5be92731e1f | mp-26845 | Change the atom at index 26 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Mn4P6O24
_chemical_formula_sum "Li6 Mn4 P6 O24"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... | data_image0
_chemical_formula_structural Li6Mn4P6O10NaO13
_chemical_formula_sum "Li6 Mn4 P6 O23 Na1"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma ... |
ChangeAtomAction | b1476340-50ba-45b8-b0b2-68de8bad39eb | mp-1208346 | Change the atom at index 0 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Fe4B16
_chemical_formula_sum "Tb4 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_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 CdTb3Fe4B16
_chemical_formula_sum "Cd1 Tb3 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 654eeba6-2168-4853-8e0a-d7a6c8fba5b0 | mp-1369271 | Change the atom at index 0 into Eu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural EuTiZn4Sb2O12
_chemical_formula_sum "Eu1 Ti1 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | ffe4d075-0d15-49d1-b8cf-f9354c327e18 | mp-2217604 | Change the atom at index 10 into Pm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2MgNi2O6
_chemical_formula_sum "La2 Mg1 Ni2 O6"
_cell_length_a 6.56906692
_cell_length_b 5.819623720000001
_cell_length_c 5.53164284
_cell_angle_alpha 68.87395837
_cell_angle_beta 65.37223024
_cell_angle_gamma 49.43208672000001
_... | data_image0
_chemical_formula_structural La2MgNi2O5Pm
_chemical_formula_sum "La2 Mg1 Ni2 O5 Pm1"
_cell_length_a 6.56906692
_cell_length_b 5.819623720000001
_cell_length_c 5.53164284
_cell_angle_alpha 68.87395837
_cell_angle_beta 65.37223024
_cell_angle_gamma 49.43208672000... |
ChangeAtomAction | 17aa049c-db1a-46d7-8eaf-10176be807e9 | mp-722271 | Change the atom at index 10 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H28Ru2S4N8O12
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural H10WH17Ru2S4N8O12
_chemical_formula_sum "H27 W1 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | f04ad383-eb1d-49a3-875b-ea026f7b972b | mp-1040333 | Change the atom at index 15 into Rg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg30TiCO32
_chemical_formula_sum "Mg30 Ti1 C1 O32"
_cell_length_a 8.489816
_cell_length_b 8.489816
_cell_length_c 8.641078
_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 Mg15RgMg14TiCO32
_chemical_formula_sum "Mg29 Rg1 Ti1 C1 O32"
_cell_length_a 8.489816
_cell_length_b 8.489816
_cell_length_c 8.641078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 57565e99-c90f-461c-a440-ea52a1b482ef | mp-1195087 | Change the atom at index 14 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_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 Tl14NiTlPb4Se12
_chemical_formula_sum "Tl15 Ni1 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 0cb67587-cb24-433d-b51f-162c5091fe41 | mp-1227155 | Change the atom at index 10 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Mg4Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Mg4Zn2VZn
_chemical_formula_sum "Ca4 Mg4 Zn3 V1"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt ... |
ChangeAtomAction | 7e39ab5a-f5d1-45b1-9a66-bdeb2b1fafac | mp-1210688 | Change the atom at index 17 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na11TiNb2Si4P2O24F2
_chemical_formula_sum "Na11 Ti1 Nb2 Si4 P2 O24 F2"
_cell_length_a 5.617235
_cell_length_b 7.28603345
_cell_length_c 14.706664049999999
_cell_angle_alpha 92.80692553
_cell_angle_beta 95.61673149
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Na11TiNb2Si3AmP2O24F2
_chemical_formula_sum "Na11 Ti1 Nb2 Si3 Am1 P2 O24 F2"
_cell_length_a 5.617235
_cell_length_b 7.28603345
_cell_length_c 14.706664049999999
_cell_angle_alpha 92.80692553
_cell_angle_beta 95.61673149
_cell_angle_gam... |
ChangeAtomAction | 18991f04-1937-4696-9d62-b2dde81dfee2 | mp-1332857 | Change the atom at index 6 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn16Zn8O32
_chemical_formula_sum "Mn16 Zn8 O32"
_cell_length_a 6.08388035
_cell_length_b 6.083880349999999
_cell_length_c 20.13315765
_cell_angle_alpha 81.59376542
_cell_angle_beta 81.59376542
_cell_angle_gamma 59.72851362
_space_g... | data_image0
_chemical_formula_structural Mn6NpMn9Zn8O32
_chemical_formula_sum "Mn15 Np1 Zn8 O32"
_cell_length_a 6.08388035
_cell_length_b 6.083880349999999
_cell_length_c 20.13315765
_cell_angle_alpha 81.59376542
_cell_angle_beta 81.59376542
_cell_angle_gamma 59.72851362
... |
ChangeAtomAction | 7c84c253-28f7-4389-9f2d-a3c2655d159d | mp-1210254 | Change the atom at index 14 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 Ni4O10MgO5F8
_chemical_formula_sum "Ni4 O15 Mg1 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | a238de87-c1f6-4f77-8edd-6f6037a341e8 | mp-989179 | Change the atom at index 10 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mo8H2S16
_chemical_formula_sum "Mo8 H2 S16"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 Mo8H2PrS15
_chemical_formula_sum "Mo8 H2 Pr1 S15"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
ChangeAtomAction | e0234ed7-2a98-4387-8f1d-b4cf1ec93cc7 | mp-1244962 | Change the atom at index 13 into Pb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg40O40
_chemical_formula_sum "Mg40 O40"
_cell_length_a 10.36242297
_cell_length_b 9.006326130000001
_cell_length_c 10.174512770000002
_cell_angle_alpha 96.13607717
_cell_angle_beta 88.32727291
_cell_angle_gamma 90.70177381
_space_... | data_image0
_chemical_formula_structural Mg13PbMg26O40
_chemical_formula_sum "Mg39 Pb1 O40"
_cell_length_a 10.36242297
_cell_length_b 9.006326130000001
_cell_length_c 10.174512770000002
_cell_angle_alpha 96.13607717
_cell_angle_beta 88.32727291
_cell_angle_gamma 90.7017738... |
ChangeAtomAction | bcb86dde-7dd2-4642-a221-06be68a8fcd6 | mp-766138 | Change the atom at index 23 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li6Fe4P4O9SgO10
_chemical_formula_sum "Li6 Fe4 P4 O19 Sg1"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_na... |
ChangeAtomAction | c1649136-783d-4480-9f32-9f63edc153c4 | mp-696780 | Change the atom at index 32 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe2P4H16O20
_chemical_formula_sum "Fe2 P4 H16 O20"
_cell_length_a 9.748221
_cell_length_b 6.066428
_cell_length_c 8.7510914
_cell_angle_alpha 54.75552624
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Fe2P4H16O10TeO9
_chemical_formula_sum "Fe2 P4 H16 O19 Te1"
_cell_length_a 9.748221
_cell_length_b 6.066428
_cell_length_c 8.7510914
_cell_angle_alpha 54.75552624
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 7ac2a0be-10ba-42a2-a073-4921ff325499 | mp-1666930 | Change the atom at index 9 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... | data_image0
_chemical_formula_structural Li9IrCr4Co6O20
_chemical_formula_sum "Li9 Ir1 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma ... |
ChangeAtomAction | 8e6a272c-e76c-4a3f-9c20-2c8f3d82240a | mp-29778 | Change the atom at index 11 into H in the cif file. The indices of atoms are started from 0. | 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 Nd8Ge3HGe10
_chemical_formula_sum "Nd8 Ge13 H1"
_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_... |
ChangeAtomAction | 22433df0-ee03-45e7-bf05-07b4656b66ee | mp-23702 | Change the atom at index 5 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li4HFmH6N4
_chemical_formula_sum "Li4 H7 Fm1 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_... |
ChangeAtomAction | 0ccd6de1-f1c0-4f65-a755-8dfe62a736b5 | mp-1208464 | Change the atom at index 5 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... | data_image0
_chemical_formula_structural Tb5YbTb10Mg4Co4
_chemical_formula_sum "Tb15 Yb1 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920... |
ChangeAtomAction | 83fb30ca-e9bc-41fc-b1c8-298363cf137c | mp-1097047 | Change the atom at index 19 into Pm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe4Cu8B4O20
_chemical_formula_sum "Fe4 Cu8 B4 O20"
_cell_length_a 3.145458
_cell_length_b 9.74670169
_cell_length_c 12.14921419
_cell_angle_alpha 89.4287378
_cell_angle_beta 89.53839224
_cell_angle_gamma 81.59407378
_space_group_na... | data_image0
_chemical_formula_structural Fe4Cu8B4O3PmO16
_chemical_formula_sum "Fe4 Cu8 B4 O19 Pm1"
_cell_length_a 3.145458
_cell_length_b 9.74670169
_cell_length_c 12.14921419
_cell_angle_alpha 89.4287378
_cell_angle_beta 89.53839224
_cell_angle_gamma 81.59407378
_space_... |
ChangeAtomAction | 608630d6-e112-4683-b5ba-09f39ac98d43 | mp-1516503 | Change the atom at index 8 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KHfNbInO4FmO
_chemical_formula_sum "K1 Hf1 Nb1 In1 O5 Fm1"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999... |
ChangeAtomAction | 9e73db8c-94a6-48ca-bf69-7f3c5bb7ee03 | mp-26956 | Change the atom at index 54 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 V4P16O34HsO13
_chemical_formula_sum "V4 P16 O47 Hs1"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
ChangeAtomAction | d30e6c05-eaa2-410b-8a60-14996254983a | mp-1245617 | Change the atom at index 18 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Cr4N8
_chemical_formula_sum "Sr8 Cr4 N8"
_cell_length_a 6.32990167
_cell_length_b 11.49833427
_cell_length_c 12.449538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 24.734643490000014
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr8Cr4N6HeN
_chemical_formula_sum "Sr8 Cr4 N7 He1"
_cell_length_a 6.32990167
_cell_length_b 11.49833427
_cell_length_c 12.449538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 24.734643490000014
_space_group_name_H-... |
ChangeAtomAction | 1f4bf6d2-8c32-4078-9e42-8301d17b0822 | mp-1105068 | Change the atom at index 9 into Md in the cif file. The indices of atoms are started from 0. | 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 BaYFe4O3MdO3
_chemical_formula_sum "Ba1 Y1 Fe4 O6 Md1"
_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
... |
ChangeAtomAction | 18dadcb2-ae8d-4f64-882c-f12447efc4c0 | mp-2229983 | Change the atom at index 9 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.65643612
_cell_length_b 7.5984859600000005
_cell_length_c 7.59848734
_cell_angle_alpha 83.18987735
_cell_angle_beta 76.8823644
_cell_angle_gamma 76.88235691
_spac... | data_image0
_chemical_formula_structural MgGe4Bi2O2SgO9
_chemical_formula_sum "Mg1 Ge4 Bi2 O11 Sg1"
_cell_length_a 5.65643612
_cell_length_b 7.5984859600000005
_cell_length_c 7.59848734
_cell_angle_alpha 83.18987735
_cell_angle_beta 76.8823644
_cell_angle_gamma 76.88235691... |
ChangeAtomAction | 4c3f58ab-0a7c-4137-b98c-9de59ffadf89 | mp-1320208 | Change the atom at index 0 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... | data_image0
_chemical_formula_structural HeBa3Y2Cr6O14
_chemical_formula_sum "He1 Ba3 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69... |
ChangeAtomAction | b28e548d-2c00-419c-87eb-26a0948684d5 | mp-531064 | Change the atom at index 72 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 K8Mo24Br40LiBr15
_chemical_formula_sum "K8 Mo24 Br55 Li1"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 693ea7b2-6a54-489a-aedf-de3fb40674ad | mp-3380 | Change the atom at index 12 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La4Rh4C4ZnC3
_chemical_formula_sum "La4 Rh4 C7 Zn1"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | c047db58-eaaf-478a-aa50-08a818d9e3e8 | mp-1172905 | Change the atom at index 10 into Pd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S4PdS
_chemical_formula_sum "Ag3 Bi3 S5 Pd1"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt ... |
ChangeAtomAction | 50def82a-dbce-454d-ab98-70bfb1c3e281 | mp-1211239 | Change the atom at index 44 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4S6O40
_chemical_formula_sum "Nd4 S6 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... | data_image0
_chemical_formula_structural Nd4S6O34CaO5
_chemical_formula_sum "Nd4 S6 O39 Ca1"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_spac... |
ChangeAtomAction | 98e98603-7080-4110-897c-95fc8693ee56 | mp-1218449 | Change the atom at index 8 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6FlIrO12
_chemical_formula_sum "Sr2 Ca6 Fl1 Ir1 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_gro... |
ChangeAtomAction | d854cef8-aa91-49ad-8506-e94ead1d1a97 | mp-557626 | Change the atom at index 31 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd8Ti4O20
_chemical_formula_sum "Gd8 Ti4 O20"
_cell_length_a 3.7458484
_cell_length_b 10.49807509
_cell_length_c 11.34388027
_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 Gd8Ti4O19Hs
_chemical_formula_sum "Gd8 Ti4 O19 Hs1"
_cell_length_a 3.7458484
_cell_length_b 10.49807509
_cell_length_c 11.34388027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 78991dd3-c115-48a4-9e2b-b603f712b3e1 | mp-1218759 | Change the atom at index 6 into Pm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2NdTlCu2O7
_chemical_formula_sum "Sr2 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.859695
_cell_length_b 3.873027
_cell_length_c 12.314699
_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 Sr2NdTlCu2PmO6
_chemical_formula_sum "Sr2 Nd1 Tl1 Cu2 Pm1 O6"
_cell_length_a 3.859695
_cell_length_b 3.873027
_cell_length_c 12.314699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 810f3eda-5fad-4096-b59c-4db139b23bbc | mp-1213447 | Change the atom at index 17 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8SiMcSi6O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si7 Mc1 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamm... |
ChangeAtomAction | 0e436f14-1d5c-44cf-8daf-159cfef86fc6 | mp-1521703 | Change the atom at index 6 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaZr2SnO6
_chemical_formula_sum "Ba1 Zr2 Sn1 O6"
_cell_length_a 4.2278895
_cell_length_b 4.22779909
_cell_length_c 8.45162975
_cell_angle_alpha 90.0
_cell_angle_beta 90.02101367
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaZr2SnO2HsO3
_chemical_formula_sum "Ba1 Zr2 Sn1 O5 Hs1"
_cell_length_a 4.2278895
_cell_length_b 4.22779909
_cell_length_c 8.45162975
_cell_angle_alpha 90.0
_cell_angle_beta 90.02101367
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 610c0001-93de-4d5b-b5e3-d1b4a791a47e | mp-1196464 | Change the atom at index 17 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Fe4Ag4F24
_chemical_formula_sum "Cs4 Fe4 Ag4 F24"
_cell_length_a 7.586403
_cell_length_b 7.721376
_cell_length_c 10.868196
_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 Cs4Fe4Ag4F5AmF18
_chemical_formula_sum "Cs4 Fe4 Ag4 F23 Am1"
_cell_length_a 7.586403
_cell_length_b 7.721376
_cell_length_c 10.868196
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 5e97d5de-d182-4d3e-821f-eeb1104948f4 | mp-531661 | Change the atom at index 4 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd4ReNd5Ti12O39
_chemical_formula_sum "Nd9 Re1 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
... |
ChangeAtomAction | 3ddcafa0-1e89-4e89-b421-d0703a1f5098 | mp-1175891 | Change the atom at index 15 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.116323
_cell_length_b 7.64613856
_cell_length_c 7.821690619999999
_cell_angle_alpha 97.97207279
_cell_angle_beta 101.73332476
_cell_angle_gamma 103.21506005
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co4PuO16
_chemical_formula_sum "Li9 Mn2 Co4 Pu1 O16"
_cell_length_a 5.116323
_cell_length_b 7.64613856
_cell_length_c 7.821690619999999
_cell_angle_alpha 97.97207279
_cell_angle_beta 101.73332476
_cell_angle_gamma 103.21506005... |
ChangeAtomAction | e4970199-ec6e-47bd-a2ab-474bcfdd5fb6 | mp-728431 | Change the atom at index 0 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... | data_image0
_chemical_formula_structural AsLi3Cr4O18
_chemical_formula_sum "As1 Li3 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group... |
ChangeAtomAction | a83e1740-8484-4443-8b18-e4b676649b53 | mp-1019719 | Change the atom at index 28 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs8Si16B8O48
_chemical_formula_sum "Cs8 Si16 B8 O48"
_cell_length_a 11.38970566
_cell_length_b 11.389705660000002
_cell_length_c 11.38970566
_cell_angle_alpha 109.25511421999998
_cell_angle_beta 109.25511421999998
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs8Si16B4NiB3O48
_chemical_formula_sum "Cs8 Si16 B7 Ni1 O48"
_cell_length_a 11.38970566
_cell_length_b 11.389705660000002
_cell_length_c 11.38970566
_cell_angle_alpha 109.25511421999998
_cell_angle_beta 109.25511421999998
_cell_angle_g... |
ChangeAtomAction | 38beaaee-3186-4141-b89b-b6dbfeb6e137 | mp-1072988 | Change the atom at index 1 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 6.07136022
_cell_length_b 6.07136022
_cell_length_c 15.70600415
_cell_angle_alpha 82.26827983
_cell_angle_beta 82.26827983
_cell_angle_gamma 40.134289769999995
_space_group_na... | data_image0
_chemical_formula_structural MgFrMg6Si12
_chemical_formula_sum "Mg7 Fr1 Si12"
_cell_length_a 6.07136022
_cell_length_b 6.07136022
_cell_length_c 15.70600415
_cell_angle_alpha 82.26827983
_cell_angle_beta 82.26827983
_cell_angle_gamma 40.134289769999995
_space_... |
ChangeAtomAction | 71491c67-ce70-4a92-b7e8-732f6c856de3 | mp-1095411 | Change the atom at index 4 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural EuIn2Ge4Ir4
_chemical_formula_sum "Eu1 In2 Ge4 Ir4"
_cell_length_a 6.63908276
_cell_length_b 6.63908276
_cell_length_c 6.63908276
_cell_angle_alpha 116.23124229
_cell_angle_beta 116.23124229
_cell_angle_gamma 96.66187853999999
_spa... | data_image0
_chemical_formula_structural EuIn2GeInGe2Ir4
_chemical_formula_sum "Eu1 In3 Ge3 Ir4"
_cell_length_a 6.63908276
_cell_length_b 6.63908276
_cell_length_c 6.63908276
_cell_angle_alpha 116.23124229
_cell_angle_beta 116.23124229
_cell_angle_gamma 96.66187853999999
... |
ChangeAtomAction | 2aa176ae-4d5e-4eb8-b8c2-f858f36ddd3d | mp-28684 | Change the atom at index 60 into Gd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb14Se16F70
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sb14Se16F30GdF39
_chemical_formula_sum "Sb14 Se16 F69 Gd1"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
ChangeAtomAction | b5f6f02b-52bf-452d-a6e2-ab5afb05f266 | mp-1208667 | Change the atom at index 1 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... | data_image0
_chemical_formula_structural SrThC4O10
_chemical_formula_sum "Sr1 Th1 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_gr... |
ChangeAtomAction | b0ba03d7-e611-4d29-a28e-3408625cc3b8 | mp-1080794 | Change the atom at index 8 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb2P2Ru4C2
_chemical_formula_sum "Tb2 P2 Ru4 C2"
_cell_length_a 5.83282683
_cell_length_b 5.83282683
_cell_length_c 7.078588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 141.93686356000003
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb2P2Ru4MnC
_chemical_formula_sum "Tb2 P2 Ru4 Mn1 C1"
_cell_length_a 5.83282683
_cell_length_b 5.83282683
_cell_length_c 7.078588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 141.93686356000003
_space_group_name_H... |
ChangeAtomAction | 0e2ee9b5-6ee0-49f5-940a-674ff46fc5ef | mp-2713621 | Change the atom at index 69 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O37PuO10
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O47 Pu1"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gam... |
ChangeAtomAction | 43064c68-94f7-4531-87b1-b8101e52e4e7 | mp-1028643 | Change the atom at index 6 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te7MoW2S2
_chemical_formula_sum "Te7 Mo1 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M_... |
ChangeAtomAction | cf3addbe-30cd-48d1-8972-f80d7b3f1d44 | mp-1196543 | Change the atom at index 5 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ga5OGa34Mo8C
_chemical_formula_sum "Ga39 O1 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_n... |
ChangeAtomAction | 089ba9f2-8daf-47ac-bb86-e53c601e72f0 | mp-29393 | Change the atom at index 1 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U2Nb4O14
_chemical_formula_sum "U2 Nb4 O14"
_cell_length_a 10.81807734
_cell_length_b 10.81807734
_cell_length_c 6.543083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 159.67399374
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural USiNb4O14
_chemical_formula_sum "U1 Si1 Nb4 O14"
_cell_length_a 10.81807734
_cell_length_b 10.81807734
_cell_length_c 6.543083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 159.67399374
_space_group_name_H-M_alt ... |
ChangeAtomAction | d3ba0dd7-2a64-41f9-9a4c-ad64439e6286 | mp-758894 | Change the atom at index 34 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ti2Te6O24
_chemical_formula_sum "Li4 Ti2 Te6 O24"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4Ti2Te6O22HsO
_chemical_formula_sum "Li4 Ti2 Te6 O23 Hs1"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | f05d114d-b4ab-4c37-a92b-137e2971d4ab | mp-1212483 | Change the atom at index 50 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O22IO5
_chemical_formula_sum "Hg16 P4 H4 N4 O27 I1"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | 05bc49b9-2d78-4701-8ab2-e78149ff16dd | mp-1516307 | Change the atom at index 3 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KLaDyFeO6
_chemical_formula_sum "K1 La1 Dy1 Fe1 O6"
_cell_length_a 5.73485535
_cell_length_b 5.73485535
_cell_length_c 5.734855349999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural KLaDyFlO6
_chemical_formula_sum "K1 La1 Dy1 Fl1 O6"
_cell_length_a 5.73485535
_cell_length_b 5.73485535
_cell_length_c 5.734855349999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
ChangeAtomAction | e1230f23-a5f3-46f6-8c64-6b2c82a35c4a | mp-1201281 | Change the atom at index 17 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 Cs4Np4Mo4O5FrO22
_chemical_formula_sum "Cs4 Np4 Mo4 O27 Fr1"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 58cb1235-64b2-4ffc-b8d7-5c1e022b13bb | mp-1075627 | Change the atom at index 21 into Ag in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 6.95179
_cell_length_b 7.0860226
_cell_length_c 12.60241938
_cell_angle_alpha 76.53564366000002
_cell_angle_beta 82.94999404
_cell_angle_gamma 62.96007212000001
_space_group... | data_image0
_chemical_formula_structural Mg10Si11AgSi6
_chemical_formula_sum "Mg10 Si17 Ag1"
_cell_length_a 6.95179
_cell_length_b 7.0860226
_cell_length_c 12.60241938
_cell_angle_alpha 76.53564366000002
_cell_angle_beta 82.94999404
_cell_angle_gamma 62.96007212000001
_sp... |
ChangeAtomAction | 3c337f8c-e11c-4f38-a536-cdc31f09d51a | mp-1105354 | Change the atom at index 15 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Fe2Cu2S2O6
_chemical_formula_sum "Ca4 Fe2 Cu2 S2 O6"
_cell_length_a 3.87717203
_cell_length_b 3.87472426
_cell_length_c 14.90745591
_cell_angle_alpha 90.03974904
_cell_angle_beta 90.00472766
_cell_angle_gamma 89.98749329
_space_... | data_image0
_chemical_formula_structural Ca4Fe2Cu2S2O5Ca
_chemical_formula_sum "Ca5 Fe2 Cu2 S2 O5"
_cell_length_a 3.87717203
_cell_length_b 3.87472426
_cell_length_c 14.90745591
_cell_angle_alpha 90.03974904
_cell_angle_beta 90.00472766
_cell_angle_gamma 89.98749329
_spac... |
ChangeAtomAction | 94a149cd-67eb-4073-a089-37df1bd018d7 | mp-1228475 | Change the atom at index 8 into Ar in the cif file. The indices of atoms are started from 0. | 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 Ba8ArBaMn2Co8O28
_chemical_formula_sum "Ba9 Ar1 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-... |
ChangeAtomAction | a0868403-4c0e-49a1-820e-1e2c21c50383 | mp-1401213 | Change the atom at index 0 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Ti4O8
_chemical_formula_sum "Mg2 Ti4 O8"
_cell_length_a 7.6351781
_cell_length_b 7.6351781
_cell_length_c 9.63444063
_cell_angle_alpha 51.23972896
_cell_angle_beta 51.23972896
_cell_angle_gamma 21.98626025999998
_space_group_nam... | data_image0
_chemical_formula_structural PrMgTi4O8
_chemical_formula_sum "Pr1 Mg1 Ti4 O8"
_cell_length_a 7.6351781
_cell_length_b 7.6351781
_cell_length_c 9.63444063
_cell_angle_alpha 51.23972896
_cell_angle_beta 51.23972896
_cell_angle_gamma 21.98626025999998
_space_grou... |
ChangeAtomAction | f1b72620-368d-4884-83a4-985516d05f4c | mp-1176457 | Change the atom at index 1 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MnFMn4O2F10
_chemical_formula_sum "Mn5 F11 O2"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H... |
ChangeAtomAction | e94e4b2b-2cec-43bb-8f7d-5804b6c18a4a | mp-30012 | Change the atom at index 5 into Au in the cif file. The indices of atoms are started from 0. | 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 Bi4KrAuKr2F28
_chemical_formula_sum "Bi4 Kr3 Au1 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_... |
ChangeAtomAction | 275de052-914d-4e46-a551-1815dc426678 | mp-758646 | Change the atom at index 8 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.9939823
_cell_length_b 5.993982300000001
_cell_length_c 10.877277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.87053668
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4V4CaF19
_chemical_formula_sum "Li4 V4 Ca1 F19"
_cell_length_a 5.9939823
_cell_length_b 5.993982300000001
_cell_length_c 10.877277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.87053668
_space_group_name_H-M_a... |
ChangeAtomAction | d53acc17-2bd5-4b54-8820-f57126ee32d0 | mp-1239191 | Change the atom at index 27 into Cm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 Cs4Cr8S15Cm
_chemical_formula_sum "Cs4 Cr8 S15 Cm1"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
ChangeAtomAction | 8fdf2e5d-b2c7-4fbc-bd16-7f5317e8e738 | mp-850401 | Change the atom at index 16 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe4O4F12
_chemical_formula_sum "Li8 Fe4 O4 F12"
_cell_length_a 5.964115
_cell_length_b 5.964249000000001
_cell_length_c 8.58639
_cell_angle_alpha 90.00007179
_cell_angle_beta 89.99975499999998
_cell_angle_gamma 89.99676256
_spac... | data_image0
_chemical_formula_structural Li8Fe4O4FrF11
_chemical_formula_sum "Li8 Fe4 O4 Fr1 F11"
_cell_length_a 5.964115
_cell_length_b 5.964249000000001
_cell_length_c 8.58639
_cell_angle_alpha 90.00007179
_cell_angle_beta 89.99975499999998
_cell_angle_gamma 89.99676256
... |
ChangeAtomAction | 2914d006-edc0-441b-8b4d-a63d628a7b1c | mp-1029771 | Change the atom at index 5 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca5ClCa2Re4N12
_chemical_formula_sum "Ca7 Cl1 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.52523426000... |
ChangeAtomAction | 2e8e82f9-7c50-4bfd-8511-c3ce51377588 | mp-763174 | Change the atom at index 20 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... | data_image0
_chemical_formula_structural Li8V4O8HsF3
_chemical_formula_sum "Li8 V4 O8 Hs1 F3"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
... |
ChangeAtomAction | 503edac0-19a7-4b96-b6b3-61c6e716001e | mp-1175453 | Change the atom at index 5 into H in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.083666
_cell_length_b 5.89114957
_cell_length_c 10.09419816
_cell_angle_alpha 88.84453634999998
_cell_angle_beta 99.76659610999998
_cell_angle_gamma 107.65282792
... | data_image0
_chemical_formula_structural Li5HLi3Mn2Co5O16
_chemical_formula_sum "Li8 H1 Mn2 Co5 O16"
_cell_length_a 5.083666
_cell_length_b 5.89114957
_cell_length_c 10.09419816
_cell_angle_alpha 88.84453634999998
_cell_angle_beta 99.76659610999998
_cell_angle_gamma 107.65... |
ChangeAtomAction | 8624a15f-89ad-461d-bca0-9d64eb0bd62a | mp-1194096 | Change the atom at index 15 into Ts in the cif file. The indices of atoms are started from 0. | 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 Sr8Ni4Se3TsSe8O36
_chemical_formula_sum "Sr8 Ni4 Se11 Ts1 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 ... |
ChangeAtomAction | 0fda494e-1204-4669-93ee-1c59ed83baec | mp-23013 | Change the atom at index 19 into Nh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 U4Cl8O7Nh
_chemical_formula_sum "U4 Cl8 O7 Nh1"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
ChangeAtomAction | 547bd17e-5af9-43cb-b987-d97f89222537 | mp-1198616 | Change the atom at index 51 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4In4B4P8H4O36
_chemical_formula_sum "Na4 In4 B4 P8 H4 O36"
_cell_length_a 5.17658486
_cell_length_b 16.79093092
_cell_length_c 8.95999236
_cell_angle_alpha 90.0
_cell_angle_beta 121.13523207000001
_cell_angle_gamma 90.0
_space_gr... | data_image0
_chemical_formula_structural Na4In4B4P8H4O27WO8
_chemical_formula_sum "Na4 In4 B4 P8 H4 O35 W1"
_cell_length_a 5.17658486
_cell_length_b 16.79093092
_cell_length_c 8.95999236
_cell_angle_alpha 90.0
_cell_angle_beta 121.13523207000001
_cell_angle_gamma 90.0
_sp... |
ChangeAtomAction | 171bd0ae-8f6b-420c-bf79-5564cf93b05e | mp-980108 | Change the atom at index 15 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sm4Mg2Ir2O7InO4
_chemical_formula_sum "Sm4 Mg2 Ir2 O11 In1"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | f6fb7499-8a53-4856-908a-54975e8c92ac | mp-1217947 | Change the atom at index 19 into Ts in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag8O3TsO20
_chemical_formula_sum "Ta4 Nb4 Ag8 O23 Ts1"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | ec603902-2397-4d6c-9155-28975a7ea417 | mp-697807 | Change the atom at index 18 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... | data_image0
_chemical_formula_structural Li2Mn8P8OgP5O48
_chemical_formula_sum "Li2 Mn8 P13 Og1 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 1... |
ChangeAtomAction | 497617c8-e4f7-46bf-9568-4ad4d19e8014 | mp-755699 | Change the atom at index 7 into Bh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4CrCu3O8
_chemical_formula_sum "Li4 Cr1 Cu3 O8"
_cell_length_a 10.14217904
_cell_length_b 10.14144136
_cell_length_c 14.33816371
_cell_angle_alpha 19.50460015000001
_cell_angle_beta 19.503536469999972
_cell_angle_gamma 33.61800237... | data_image0
_chemical_formula_structural Li4CrCu2BhO8
_chemical_formula_sum "Li4 Cr1 Cu2 Bh1 O8"
_cell_length_a 10.14217904
_cell_length_b 10.14144136
_cell_length_c 14.33816371
_cell_angle_alpha 19.50460015000001
_cell_angle_beta 19.503536469999972
_cell_angle_gamma 33.61... |
ChangeAtomAction | c4ce9fbe-c510-445f-9b30-cca572e9a808 | mp-625941 | Change the atom at index 12 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH6O5Xe
_chemical_formula_sum "Te1 H6 O5 Xe1"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599... |
ChangeAtomAction | ab04c699-1c12-48c5-9fa6-2cd93750bf3d | mp-1179245 | Change the atom at index 19 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H12ONdO18
_chemical_formula_sum "V6 H12 O19 Nd1"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_gr... |
ChangeAtomAction | 8cdca7e2-dc3a-405f-a068-12e5a050a928 | mp-1114234 | Change the atom at index 5 into Ac in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiRhFAcF4
_chemical_formula_sum "Na2 Li1 Rh1 F5 Ac1"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
ChangeAtomAction | f65fa888-2b16-4ad1-99c6-0ca5927dbd7b | mp-766386 | Change the atom at index 7 into I in the cif file. The indices of atoms are started from 0. | 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 Mn6FeIP8O32
_chemical_formula_sum "Mn6 Fe1 I1 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... |
ChangeAtomAction | 8c9ccdd5-d26c-4095-8d7d-40202d226ec0 | mp-757196 | Change the atom at index 8 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... | data_image0
_chemical_formula_structural Hg4W4SbO13
_chemical_formula_sum "Hg4 W4 Sb1 O13"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_gr... |
ChangeAtomAction | 8a9b018a-e8e4-40c7-b92f-6ee2a6848d5d | mp-768505 | Change the atom at index 15 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... | data_image0
_chemical_formula_structural Lu6Ga6O3LuO14
_chemical_formula_sum "Lu7 Ga6 O17"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_spac... |
ChangeAtomAction | c8392504-c0c1-40ff-b65e-1c617ed14a09 | mp-1208355 | Change the atom at index 3 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4As4O8
_chemical_formula_sum "Tb4 As4 O8"
_cell_length_a 7.00963605
_cell_length_b 7.00963605
_cell_length_c 7.009636050000001
_cell_angle_alpha 109.77864946
_cell_angle_beta 109.77864946
_cell_angle_gamma 108.85809727
_space_gro... | data_image0
_chemical_formula_structural Tb3NbAs4O8
_chemical_formula_sum "Tb3 Nb1 As4 O8"
_cell_length_a 7.00963605
_cell_length_b 7.00963605
_cell_length_c 7.009636050000001
_cell_angle_alpha 109.77864946
_cell_angle_beta 109.77864946
_cell_angle_gamma 108.85809727
_spa... |
ChangeAtomAction | 54f2dc70-1415-4e25-9b27-c196a3dcfeab | mp-978989 | Change the atom at index 15 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tc14BNaB4
_chemical_formula_sum "Tc14 B5 Na1"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_a... |
ChangeAtomAction | 94c21dc2-da7c-4881-b29a-8cfeef02b2dc | mp-1079634 | Change the atom at index 0 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural SnTb3Sn2Au4
_chemical_formula_sum "Sn3 Tb3 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_al... |
ChangeAtomAction | 097580f6-5fae-4452-a47b-8ec61c7cc12c | mp-1223532 | Change the atom at index 8 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 K2La2C2O2SeO5
_chemical_formula_sum "K2 La2 C2 O7 Se1"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | d90f6950-2c81-4c3d-855a-780867769078 | mp-1043615 | Change the atom at index 35 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn6Zn2P8O19SmO8
_chemical_formula_sum "Mn6 Zn2 P8 O27 Sm1"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | 4076ab66-f9bb-4d61-a840-456d84f6aef5 | mp-1206319 | Change the atom at index 5 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Co2Br6
_chemical_formula_sum "Rb2 Co2 Br6"
_cell_length_a 7.42861131
_cell_length_b 7.42750215
_cell_length_c 6.244587669999999
_cell_angle_alpha 89.99999801
_cell_angle_beta 90.00002781999999
_cell_angle_gamma 119.99551734999999... | data_image0
_chemical_formula_structural Rb2Co2BrSmBr4
_chemical_formula_sum "Rb2 Co2 Br5 Sm1"
_cell_length_a 7.42861131
_cell_length_b 7.42750215
_cell_length_c 6.244587669999999
_cell_angle_alpha 89.99999801
_cell_angle_beta 90.00002781999999
_cell_angle_gamma 119.995517... |
ChangeAtomAction | 205cbaf9-f0cd-4f91-8d0a-40b7ec6453a4 | mp-850540 | Change the atom at index 51 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn4Fe8P12O48
_chemical_formula_sum "Zn4 Fe8 P12 O48"
_cell_length_a 5.956416
_cell_length_b 4.893716
_cell_length_c 29.86220092
_cell_angle_alpha 89.98575769
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zn4Fe8P12O27MnO20
_chemical_formula_sum "Zn4 Fe8 P12 O47 Mn1"
_cell_length_a 5.956416
_cell_length_b 4.893716
_cell_length_c 29.86220092
_cell_angle_alpha 89.98575769
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | 89e43fe3-78d6-4fe1-9d3e-70b2d8a3e513 | mp-549058 | Change the atom at index 12 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... | data_image0
_chemical_formula_structural Ba4Fe4Se4OsOF4
_chemical_formula_sum "Ba4 Fe4 Se4 Os1 O1 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.... |
ChangeAtomAction | 20803558-1da1-4979-9664-093fa400ad08 | mp-1192688 | Change the atom at index 24 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zn4N20TcN3
_chemical_formula_sum "Zn4 N23 Tc1"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 655105fa-3c43-4740-ad8d-444d1619cda9 | mp-1228441 | Change the atom at index 27 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba7Hg20UHg10
_chemical_formula_sum "Ba7 Hg30 U1"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H... |
ChangeAtomAction | 4449988f-6547-45a1-aa9b-8fb5f55307f7 | mp-6606 | Change the atom at index 2 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... | data_image0
_chemical_formula_structural Sr2FlYSi8N14
_chemical_formula_sum "Sr2 Fl1 Y1 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_gro... |
ChangeAtomAction | 5edac639-bc3b-41ad-9c6b-b687cb11452e | mp-1229042 | Change the atom at index 22 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... | data_image0
_chemical_formula_structural Al9Fe2Si4O7SO16
_chemical_formula_sum "Al9 Fe2 Si4 O23 S1"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_spa... |
ChangeAtomAction | 80ccf71b-e9f5-4cc8-9fd1-3437d6c20997 | mp-1220380 | Change the atom at index 7 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd3NiSn7
_chemical_formula_sum "Nd3 Ni1 Sn7"
_cell_length_a 13.90377236
_cell_length_b 13.90377236
_cell_length_c 4.5517161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 161.25257191
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nd3NiSn3LrSn3
_chemical_formula_sum "Nd3 Ni1 Sn6 Lr1"
_cell_length_a 13.90377236
_cell_length_b 13.90377236
_cell_length_c 4.5517161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 161.25257191
_space_group_name_H-M_... |
ChangeAtomAction | 35950f2a-3828-44b5-b412-be7abbd59582 | mp-2713601 | Change the atom at index 6 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Zr4Si8Sn4P4O48
_chemical_formula_sum "Na12 Zr4 Si8 Sn4 P4 O48"
_cell_length_a 15.80930235
_cell_length_b 9.12113413
_cell_length_c 9.16076048
_cell_angle_alpha 89.95736308
_cell_angle_beta 124.88498987999999
_cell_angle_gamma 90... | data_image0
_chemical_formula_structural Na6SrNa5Zr4Si8Sn4P4O48
_chemical_formula_sum "Na11 Sr1 Zr4 Si8 Sn4 P4 O48"
_cell_length_a 15.80930235
_cell_length_b 9.12113413
_cell_length_c 9.16076048
_cell_angle_alpha 89.95736308
_cell_angle_beta 124.88498987999999
_cell_angle_gam... |
ChangeAtomAction | 3d966f78-9d31-493c-af6b-e74873f4d782 | mp-1218286 | Change the atom at index 15 into Ds in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrLa3Mn2Cr2O12
_chemical_formula_sum "Sr1 La3 Mn2 Cr2 O12"
_cell_length_a 5.46755873
_cell_length_b 7.985748690000001
_cell_length_c 5.541264629999999
_cell_angle_alpha 90.00051804
_cell_angle_beta 89.99987303999998
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrLa3Mn2Cr2O7DsO4
_chemical_formula_sum "Sr1 La3 Mn2 Cr2 O11 Ds1"
_cell_length_a 5.46755873
_cell_length_b 7.985748690000001
_cell_length_c 5.541264629999999
_cell_angle_alpha 90.00051804
_cell_angle_beta 89.99987303999998
_cell_angle_... |
ChangeAtomAction | 7d5c16af-ce04-45c5-afbf-f62bb5dd0377 | mp-642735 | Change the atom at index 10 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H6IHPt2
_chemical_formula_sum "Rb4 H7 I1 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | 57f2e349-0479-44b2-b972-6f290979db57 | mp-1204112 | Change the atom at index 30 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N8TiN3Cl12
_chemical_formula_sum "Sn2 H8 S12 N11 Ti1 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
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