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 |
|---|---|---|---|---|---|
RemoveAtomAction | a1c75c66-bc2b-4559-97ca-b97530525d62 | mp-1032333 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbMg6CoO8
_chemical_formula_sum "Rb1 Mg6 Co1 O8"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_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 RbMg6O8
_chemical_formula_sum "Rb1 Mg6 O8"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
RemoveAtomAction | 7c094fba-8f60-448b-b2a0-93680d0339b4 | mp-752915 | Remove the atom at index 12 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiV2Si2O8
_chemical_formula_sum "Li1 V2 Si2 O8"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural LiV2Si2O7
_chemical_formula_sum "Li1 V2 Si2 O7"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt "P 1... |
RemoveAtomAction | 8687e167-c884-4be5-9525-581f1a49aa69 | mp-27013 | Remove the atom at index 64 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li18V6P16O57
_chemical_formula_sum "Li18 V6 P16 O57"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... |
RemoveAtomAction | a54f56d7-2711-4ad7-8aef-8254118a7275 | mp-1212621 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H8C12N4Cl4O4F16
_chemical_formula_sum "H8 C12 N4 Cl4 O4 F16"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural H7C12N4Cl4O4F16
_chemical_formula_sum "H7 C12 N4 Cl4 O4 F16"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
RemoveAtomAction | 8ace1cd3-ec04-45fa-b1fc-85c6da88f742 | mp-556552 | Remove the atom at index 15 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K16V4P8S36
_chemical_formula_sum "K16 V4 P8 S36"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_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 K15V4P8S36
_chemical_formula_sum "K15 V4 P8 S36"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
RemoveAtomAction | ac26cca6-f10c-456a-bff7-9345f5acc10e | mp-753988 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4Cr4O12
_chemical_formula_sum "V4 Cr4 O12"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_group_n... | data_image0
_chemical_formula_structural V3Cr4O12
_chemical_formula_sum "V3 Cr4 O12"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_group_n... |
RemoveAtomAction | a5242937-ada5-4d7a-a082-c9a670949b9b | mp-1196228 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V12Fe8O48
_chemical_formula_sum "V12 Fe8 O48"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_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 V11Fe8O48
_chemical_formula_sum "V11 Fe8 O48"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_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... |
RemoveAtomAction | e1f5aa94-4206-4f6d-9549-785fe60d2085 | mp-1192151 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn10As7
_chemical_formula_sum "Rb4 Zn10 As7"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... |
RemoveAtomAction | 3f33f6d4-c1ef-4672-be80-e3978db4ebe3 | mp-1520792 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... | data_image0
_chemical_formula_structural LaZrTiO6
_chemical_formula_sum "La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... |
RemoveAtomAction | f25124be-27b7-4120-86f4-9ec1d9d57efb | mp-1521867 | Remove the atom at index 1 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KNdWO6
_chemical_formula_sum "K1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999999986
... |
RemoveAtomAction | c0945afa-a80d-4a67-9346-e9fbaa12d91e | mp-23977 | Remove the atom at index 32 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_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 H4S28N3
_chemical_formula_sum "H4 S28 N3"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_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... |
RemoveAtomAction | f44eaf8f-b33a-413b-b9d5-dae593c9d4e6 | mp-1212516 | Remove the atom at index 37 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... | data_image0
_chemical_formula_structural H24C4S4N11O12
_chemical_formula_sum "H24 C4 S4 N11 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... |
RemoveAtomAction | a8e8c760-e879-4714-a0ac-dcfcb5b55ecc | mp-1233561 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.368... | data_image0
_chemical_formula_structural Co4P8O28
_chemical_formula_sum "Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.36807906
... |
RemoveAtomAction | b4fb67a1-3e33-4a53-9389-2c5851c7091c | mp-1371279 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn4Sn4O10
_chemical_formula_sum "Zn4 Sn4 O10"
_cell_length_a 3.306152
_cell_length_b 6.356792
_cell_length_c 12.05558
_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 Zn4Sn4O9
_chemical_formula_sum "Zn4 Sn4 O9"
_cell_length_a 3.306152
_cell_length_b 6.356792
_cell_length_c 12.05558
_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... |
RemoveAtomAction | d361b34f-7549-4033-9b05-70d96552e59d | mp-1103256 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe3Sb4Se4
_chemical_formula_sum "Fe3 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
RemoveAtomAction | a72e69cc-9775-4613-995b-ceed6dced3d0 | mp-23702 | Remove the atom at index 9 from 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 Li4H7N4
_chemical_formula_sum "Li4 H7 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... |
RemoveAtomAction | 295641a6-45f5-4a3f-aefd-d491cc9a9a98 | mp-1190979 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Sc15Ir8
_chemical_formula_sum "Sc15 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... |
RemoveAtomAction | 3c082920-ac36-417c-a08b-95392224461c | mp-1032565 | Remove the atom at index 11 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_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 Mg6ZnBiO7
_chemical_formula_sum "Mg6 Zn1 Bi1 O7"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
RemoveAtomAction | 17c12fa8-6913-4a93-8ecb-7e5300d4baec | mp-761075 | Remove the atom at index 12 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... | data_image0
_chemical_formula_structural Ni4P15O44
_chemical_formula_sum "Ni4 P15 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... |
RemoveAtomAction | d9c3fcb4-fdbc-4096-81b2-d4dfc4d28b12 | mp-34195 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural BaC2O6
_chemical_formula_sum "Ba1 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
RemoveAtomAction | 164d4f53-bdac-4575-8afe-4d21f5e4aa65 | mp-1235319 | Remove the atom at index 15 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiSc4Fe4O12
_chemical_formula_sum "Li1 Sc4 Fe4 O12"
_cell_length_a 5.12678458
_cell_length_b 5.4436032
_cell_length_c 8.04653984
_cell_angle_alpha 90.16735254
_cell_angle_beta 91.99021394
_cell_angle_gamma 88.80830664000001
_space_... | data_image0
_chemical_formula_structural LiSc4Fe4O11
_chemical_formula_sum "Li1 Sc4 Fe4 O11"
_cell_length_a 5.12678458
_cell_length_b 5.4436032
_cell_length_c 8.04653984
_cell_angle_alpha 90.16735254
_cell_angle_beta 91.99021394
_cell_angle_gamma 88.80830664000001
_space_... |
RemoveAtomAction | 0beccfbc-c11a-45d8-b79d-fbbb89488637 | mp-1196015 | Remove the atom at index 19 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 Cs8P4Au4S15
_chemical_formula_sum "Cs8 P4 Au4 S15"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RemoveAtomAction | 5ce66c8d-24bb-4e88-aecc-a7a602044cfc | mp-1112637 | Remove the atom at index 5 from 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 Cs2TlCuF5
_chemical_formula_sum "Cs2 Tl1 Cu1 F5"
_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... |
RemoveAtomAction | ffc220bb-dfbd-4924-a621-0b5bb184a73f | mp-1209004 | Remove the atom at index 20 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se9
_chemical_formula_sum "Sc4 Tl2 Cu6 Se9"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_group... |
RemoveAtomAction | 1e906a41-562b-457b-8ad0-cdcb535a07e8 | mp-758495 | Remove the atom at index 31 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O27
_chemical_formula_sum "Li8 Co8 C8 O27"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
RemoveAtomAction | 2d74a245-dfaf-4567-997c-12631dce8cbb | mp-25273 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiMo3O8
_chemical_formula_sum "Li1 Mo3 O8"
_cell_length_a 6.06688934
_cell_length_b 6.06688934
_cell_length_c 6.06688936
_cell_angle_alpha 61.23775104
_cell_angle_beta 61.23775104
_cell_angle_gamma 61.23774855
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiMo3O7
_chemical_formula_sum "Li1 Mo3 O7"
_cell_length_a 6.06688934
_cell_length_b 6.06688934
_cell_length_c 6.06688936
_cell_angle_alpha 61.23775104
_cell_angle_beta 61.23775104
_cell_angle_gamma 61.23774855
_space_group_name_H-M... |
RemoveAtomAction | 5455108e-2829-49f2-ada5-4ac8f83583ce | mp-779625 | Remove the atom at index 31 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16Mn8P12O48
_chemical_formula_sum "Li16 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li16Mn8P11O48
_chemical_formula_sum "Li16 Mn8 P11 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 13d418f9-e554-4d13-80d5-e0ed009454e1 | mp-1519381 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrCaPrSbO6
_chemical_formula_sum "Sr1 Ca1 Pr1 Sb1 O6"
_cell_length_a 5.88812195
_cell_length_b 5.88812195
_cell_length_c 5.88812195
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural SrCaPrSbO5
_chemical_formula_sum "Sr1 Ca1 Pr1 Sb1 O5"
_cell_length_a 5.88812195
_cell_length_b 5.88812195
_cell_length_c 5.88812195
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
RemoveAtomAction | 45cc059c-bfa8-4883-98a1-309234c9db9d | mp-1199066 | Remove the atom at index 19 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu8B8O22F4
_chemical_formula_sum "Eu8 B8 O22 F4"
_cell_length_a 7.38493748
_cell_length_b 7.38493748
_cell_length_c 13.944672270000002
_cell_angle_alpha 89.11157898
_cell_angle_beta 89.11157898
_cell_angle_gamma 37.38706046
_space_... | data_image0
_chemical_formula_structural Eu8B8O21F4
_chemical_formula_sum "Eu8 B8 O21 F4"
_cell_length_a 7.38493748
_cell_length_b 7.38493748
_cell_length_c 13.944672270000002
_cell_angle_alpha 89.11157898
_cell_angle_beta 89.11157898
_cell_angle_gamma 37.38706046
_space_... |
RemoveAtomAction | e2f088e3-c5e8-4c3f-92a0-bd44e1a0e7e0 | mp-1078410 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2ZnTeO6
_chemical_formula_sum "Ba2 Zn1 Te1 O6"
_cell_length_a 5.84283748
_cell_length_b 5.84283748
_cell_length_c 5.84283748
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Ba2TeO6
_chemical_formula_sum "Ba2 Te1 O6"
_cell_length_a 5.84283748
_cell_length_b 5.84283748
_cell_length_c 5.84283748
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
RemoveAtomAction | 8eec9f5b-2cf1-443e-905b-4d037f059e08 | mp-1193804 | Remove the atom at index 16 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr12Ga8Ni8
_chemical_formula_sum "Pr12 Ga8 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Pr12Ga7Ni8
_chemical_formula_sum "Pr12 Ga7 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
RemoveAtomAction | 27336971-d4e3-4939-bed3-c2c7313dfc2c | mp-760489 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P2H12N2O4
_chemical_formula_sum "P2 H12 N2 O4"
_cell_length_a 6.94446242
_cell_length_b 6.94446242
_cell_length_c 4.049551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.35006993
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural P2H11N2O4
_chemical_formula_sum "P2 H11 N2 O4"
_cell_length_a 6.94446242
_cell_length_b 6.94446242
_cell_length_c 4.049551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.35006993
_space_group_name_H-M_alt "P ... |
RemoveAtomAction | a36b9dbc-9656-4b80-8903-e8b2370615d2 | mp-25946 | Remove the atom at index 45 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb4P10O32
_chemical_formula_sum "Sb4 P10 O32"
_cell_length_a 10.443986
_cell_length_b 7.564572
_cell_length_c 10.70179358
_cell_angle_alpha 69.2391077
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb4P10O31
_chemical_formula_sum "Sb4 P10 O31"
_cell_length_a 10.443986
_cell_length_b 7.564572
_cell_length_c 10.70179358
_cell_angle_alpha 69.2391077
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RemoveAtomAction | 83e27074-9ab4-4678-89b0-07e997663c88 | mp-1027923 | Remove the atom at index 15 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrMg14
_chemical_formula_sum "Sr1 Mg14"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "P 1"
_... |
RemoveAtomAction | 700bb3f9-c659-42f7-9ffc-41e4421887e9 | mp-759739 | Remove the atom at index 21 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6O3F14
_chemical_formula_sum "V6 O3 F14"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... |
RemoveAtomAction | 519dc02b-ce00-46dc-8743-18ca287f4d22 | mp-752621 | Remove the atom at index 23 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Fe2B8O18
_chemical_formula_sum "Li6 Fe2 B8 O18"
_cell_length_a 8.715265
_cell_length_b 5.713325
_cell_length_c 6.78721015
_cell_angle_alpha 78.52081286
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li6Fe2B8O17
_chemical_formula_sum "Li6 Fe2 B8 O17"
_cell_length_a 8.715265
_cell_length_b 5.713325
_cell_length_c 6.78721015
_cell_angle_alpha 78.52081286
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
RemoveAtomAction | f7b2898c-d421-464e-8d22-02cc34b1183d | mp-1235953 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2LiNb2P2C2O14
_chemical_formula_sum "K2 Li1 Nb2 P2 C2 O14"
_cell_length_a 10.52196763
_cell_length_b 6.6069197299999995
_cell_length_c 5.28292177
_cell_angle_alpha 89.81845657000001
_cell_angle_beta 87.54113494000002
_cell_angle_gamma... | data_image0
_chemical_formula_structural K2LiNbP2C2O14
_chemical_formula_sum "K2 Li1 Nb1 P2 C2 O14"
_cell_length_a 10.52196763
_cell_length_b 6.6069197299999995
_cell_length_c 5.28292177
_cell_angle_alpha 89.81845657000001
_cell_angle_beta 87.54113494000002
_cell_angle_gamma ... |
RemoveAtomAction | 26f5a635-5cf4-48ad-bbc9-944c14375126 | mp-1022061 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Mg12Ni2
_chemical_formula_sum "La2 Mg12 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 La2Mg11Ni2
_chemical_formula_sum "La2 Mg11 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
RemoveAtomAction | f8c85268-c309-4d15-91b2-572a013428a3 | mp-572465 | Remove the atom at index 16 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S23
_chemical_formula_sum "Cr4 Cu4 P8 S23"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 2b0a928e-789b-402d-96da-d89eafd72c9f | mp-531527 | Remove the atom at index 46 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba3Ti20O40
_chemical_formula_sum "Ba3 Ti20 O40"
_cell_length_a 10.27568035
_cell_length_b 10.27568035
_cell_length_c 10.03228949
_cell_angle_alpha 61.29334600000001
_cell_angle_beta 61.29334600000001
_cell_angle_gamma 92.2357216
_s... | data_image0
_chemical_formula_structural Ba3Ti20O39
_chemical_formula_sum "Ba3 Ti20 O39"
_cell_length_a 10.27568035
_cell_length_b 10.27568035
_cell_length_c 10.03228949
_cell_angle_alpha 61.29334600000001
_cell_angle_beta 61.29334600000001
_cell_angle_gamma 92.2357216
_s... |
RemoveAtomAction | f19adf41-e044-4c09-8d34-75846c858810 | mp-20268 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti3Ge4Pd4
_chemical_formula_sum "Ti3 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... |
RemoveAtomAction | 285e952b-5173-4155-9a01-e9b502f6afa6 | mp-759863 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4V2O6
_chemical_formula_sum "Na4 V2 O6"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... | data_image0
_chemical_formula_structural Na4V2O5
_chemical_formula_sum "Na4 V2 O5"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... |
RemoveAtomAction | fc0c3667-759a-4c06-92c8-cfb7b2f22783 | mp-1212483 | Remove the atom at index 48 from 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 Hg16P4H4N4O27
_chemical_formula_sum "Hg16 P4 H4 N4 O27"
_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... |
RemoveAtomAction | 362451c8-e816-4e2f-9686-67beda5e2db7 | mp-1209474 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... | data_image0
_chemical_formula_structural Sm4Ni4Pb3
_chemical_formula_sum "Sm4 Ni4 Pb3"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... |
RemoveAtomAction | 67f2c903-c6c7-47a9-b80c-1d09993e5ba8 | mp-1204342 | Remove the atom at index 53 from the cif file. The indices of atoms are started from 0. | 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 Ca8B12H16Cl4O31
_chemical_formula_sum "Ca8 B12 H16 Cl4 O31"
_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... |
RemoveAtomAction | 1cd8865a-b11e-438d-9932-5d792a799124 | mp-767632 | Remove the atom at index 1 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V3P4O16
_chemical_formula_sum "V3 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... |
RemoveAtomAction | c93f79e7-c277-43ac-b8ba-0451ef9e107e | mp-1174010 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 3.027597
_cell_length_b 5.081402820000001
_cell_length_c 12.403117880000002
_cell_angle_alpha 100.73363916
_cell_angle_beta 87.87144722
_cell_angle_gamma 103.019523... | data_image0
_chemical_formula_structural Li5Mn2Co2O10
_chemical_formula_sum "Li5 Mn2 Co2 O10"
_cell_length_a 3.027597
_cell_length_b 5.081402820000001
_cell_length_c 12.403117880000002
_cell_angle_alpha 100.73363916
_cell_angle_beta 87.87144722
_cell_angle_gamma 103.019523... |
RemoveAtomAction | eaf81583-729e-4ea4-86f5-a07a48b726d9 | mp-568595 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Re8Si14
_chemical_formula_sum "Re8 Si14"
_cell_length_a 11.80895754
_cell_length_b 11.80895754
_cell_length_c 8.372270209999998
_cell_angle_alpha 87.41781667
_cell_angle_beta 87.41781667
_cell_angle_gamma 15.289560639999978
_space_... | data_image0
_chemical_formula_structural Re7Si14
_chemical_formula_sum "Re7 Si14"
_cell_length_a 11.80895754
_cell_length_b 11.80895754
_cell_length_c 8.372270209999998
_cell_angle_alpha 87.41781667
_cell_angle_beta 87.41781667
_cell_angle_gamma 15.289560639999978
_space_... |
RemoveAtomAction | b41f9a01-35fd-4dce-8678-6601dd5a5a51 | mp-558681 | Remove the atom at index 36 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F15
_chemical_formula_sum "P8 Cl8 O8 F15"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RemoveAtomAction | 7264f92c-00ef-4d11-b1de-9b83fd24aca7 | mp-1205760 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2LuNbO6
_chemical_formula_sum "Sr2 Lu1 Nb1 O6"
_cell_length_a 5.89116681
_cell_length_b 5.89116681
_cell_length_c 5.89116681
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Sr2LuNbO5
_chemical_formula_sum "Sr2 Lu1 Nb1 O5"
_cell_length_a 5.89116681
_cell_length_b 5.89116681
_cell_length_c 5.89116681
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
RemoveAtomAction | f5d8dc1e-1f66-4313-a82e-235febf48985 | mp-1190262 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb5Ru2
_chemical_formula_sum "Zr10 Sb5 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... |
RemoveAtomAction | b79a5548-019d-4265-b310-6883df49c6fe | mp-1200769 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Yb3Ga24Cu12
_chemical_formula_sum "Yb3 Ga24 Cu12"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_gr... | data_image0
_chemical_formula_structural Yb3Ga23Cu12
_chemical_formula_sum "Yb3 Ga23 Cu12"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_gr... |
RemoveAtomAction | 44f6ef5b-8b99-4928-a31d-1ad1d68ef08b | mp-1211974 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural InS2NO8
_chemical_formula_sum "In1 S2 N1 O8"
_cell_length_a 4.96153941
_cell_length_b 4.96153941
_cell_length_c 8.92500071
_cell_angle_alpha 73.86166951999999
_cell_angle_beta 73.86166951999999
_cell_angle_gamma 60.00000787
_space_... | data_image0
_chemical_formula_structural InS2NO7
_chemical_formula_sum "In1 S2 N1 O7"
_cell_length_a 4.96153941
_cell_length_b 4.96153941
_cell_length_c 8.92500071
_cell_angle_alpha 73.86166951999999
_cell_angle_beta 73.86166951999999
_cell_angle_gamma 60.00000787
_space_... |
RemoveAtomAction | cd982f57-db8c-4287-a651-63a14e9ffc75 | mp-1037998 | Remove the atom at index 41 from the cif file. The indices of atoms are started from 0. | 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 Mg30AlCdO31
_chemical_formula_sum "Mg30 Al1 Cd1 O31"
_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... |
RemoveAtomAction | 0f2d27c5-bf17-487e-ae88-bd9511e0fa10 | mp-1202419 | Remove the atom at index 39 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Re4C10N20O26
_chemical_formula_sum "Ca2 Re4 C10 N20 O26"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... | data_image0
_chemical_formula_structural Ca2Re4C10N20O25
_chemical_formula_sum "Ca2 Re4 C10 N20 O25"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... |
RemoveAtomAction | 022111f3-5514-474e-bc96-45b6a1701417 | mp-2234075 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgScNi2SbO6
_chemical_formula_sum "Mg1 Sc1 Ni2 Sb1 O6"
_cell_length_a 5.3578386
_cell_length_b 5.3553402
_cell_length_c 5.99123202
_cell_angle_alpha 63.50255283999999
_cell_angle_beta 63.50103803999999
_cell_angle_gamma 59.98045332
... | data_image0
_chemical_formula_structural MgScNi2SbO5
_chemical_formula_sum "Mg1 Sc1 Ni2 Sb1 O5"
_cell_length_a 5.3578386
_cell_length_b 5.3553402
_cell_length_c 5.99123202
_cell_angle_alpha 63.50255283999999
_cell_angle_beta 63.50103803999999
_cell_angle_gamma 59.98045332
... |
RemoveAtomAction | 18008889-ea92-4be5-b03f-1ed211f61996 | mp-776226 | Remove the atom at index 13 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf16N16O8
_chemical_formula_sum "Hf16 N16 O8"
_cell_length_a 8.64803569
_cell_length_b 8.675023070000002
_cell_length_c 8.68143733
_cell_angle_alpha 109.54989756
_cell_angle_beta 109.52119125
_cell_angle_gamma 109.23362109
_space_g... | data_image0
_chemical_formula_structural Hf15N16O8
_chemical_formula_sum "Hf15 N16 O8"
_cell_length_a 8.64803569
_cell_length_b 8.675023070000002
_cell_length_c 8.68143733
_cell_angle_alpha 109.54989756
_cell_angle_beta 109.52119125
_cell_angle_gamma 109.23362109
_space_g... |
RemoveAtomAction | 3f283371-db43-4942-9954-95b43007cd3f | mp-2230889 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5FeO11
_chemical_formula_sum "Mg1 V5 Fe1 O11"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... |
RemoveAtomAction | 9454fa54-1506-47ed-8d27-88310e568d12 | mp-1175749 | Remove the atom at index 2 from 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 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... | data_image0
_chemical_formula_structural Li8Mn2Co5O16
_chemical_formula_sum "Li8 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... |
RemoveAtomAction | 419d3d49-0475-4406-b15f-ac56706b5873 | mp-758717 | Remove the atom at index 23 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Co4C8O23
_chemical_formula_sum "Li2 Co4 C8 O23"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
RemoveAtomAction | 44b18757-8598-4998-8d46-d17ad79ce26e | mp-722910 | Remove the atom at index 26 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10NO4
_chemical_formula_sum "K4 B12 H10 N1 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... |
RemoveAtomAction | 6d11613b-d594-475a-83f1-760ce1b3f4c4 | mp-1113451 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2ScAgBr6
_chemical_formula_sum "Cs2 Sc1 Ag1 Br6"
_cell_length_a 7.8941599
_cell_length_b 7.8941599
_cell_length_c 7.8941599
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Cs2ScAgBr5
_chemical_formula_sum "Cs2 Sc1 Ag1 Br5"
_cell_length_a 7.8941599
_cell_length_b 7.8941599
_cell_length_c 7.8941599
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
RemoveAtomAction | 487400ad-b22a-4a71-bbdf-5745dee02777 | mp-12611 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca3Ga8
_chemical_formula_sum "Ca3 Ga8"
_cell_length_a 4.26788338
_cell_length_b 4.29781021
_cell_length_c 13.10926426
_cell_angle_alpha 99.43465476
_cell_angle_beta 99.36835284000001
_cell_angle_gamma 90.00000172
_space_group_name_... | data_image0
_chemical_formula_structural Ca3Ga7
_chemical_formula_sum "Ca3 Ga7"
_cell_length_a 4.26788338
_cell_length_b 4.29781021
_cell_length_c 13.10926426
_cell_angle_alpha 99.43465476
_cell_angle_beta 99.36835284000001
_cell_angle_gamma 90.00000172
_space_group_name_... |
RemoveAtomAction | 105d48a2-86aa-487a-af5d-252fb5eb9cbb | mp-768696 | Remove the atom at index 15 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Cr6Fe2O16
_chemical_formula_sum "Li6 Cr6 Fe2 O16"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... | data_image0
_chemical_formula_structural Li6Cr6Fe2O15
_chemical_formula_sum "Li6 Cr6 Fe2 O15"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... |
RemoveAtomAction | f2004861-ee5f-4808-b0d9-9382b5dc4f00 | mp-985591 | Remove the atom at index 1 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural Li5PS5Br
_chemical_formula_sum "Li5 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... |
RemoveAtomAction | 0b7039aa-57ba-4512-981d-722c7e586821 | mp-766542 | Remove the atom at index 22 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 Li4Fe4Si4O15
_chemical_formula_sum "Li4 Fe4 Si4 O15"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
RemoveAtomAction | 6f3d40e1-46d2-49fc-86ab-83cbfb528fa4 | mp-780315 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... | data_image0
_chemical_formula_structural Li4Cr2Fe2O10
_chemical_formula_sum "Li4 Cr2 Fe2 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... |
RemoveAtomAction | 5f226807-bba8-4a33-85cf-0f9b9b5b019d | mp-1245070 | Remove the atom at index 95 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn50S50
_chemical_formula_sum "Zn50 S50"
_cell_length_a 13.63140563
_cell_length_b 14.017072280000002
_cell_length_c 12.744054180000001
_cell_angle_alpha 90.14536832
_cell_angle_beta 90.00963385
_cell_angle_gamma 89.63804257000001
... | data_image0
_chemical_formula_structural Zn50S49
_chemical_formula_sum "Zn50 S49"
_cell_length_a 13.63140563
_cell_length_b 14.017072280000002
_cell_length_c 12.744054180000001
_cell_angle_alpha 90.14536832
_cell_angle_beta 90.00963385
_cell_angle_gamma 89.63804257000001
... |
RemoveAtomAction | 1e2ea6ac-f6bf-4435-afec-7718fba22480 | mp-673174 | Remove the atom at index 24 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe24N8
_chemical_formula_sum "Fe24 N8"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... |
RemoveAtomAction | 2c101269-83d5-4134-81b8-e1c8a45315c0 | mp-1203548 | Remove the atom at index 13 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd6Se8O24
_chemical_formula_sum "Cd6 Se8 O24"
_cell_length_a 9.535666
_cell_length_b 7.426734
_cell_length_c 9.487163359999998
_cell_angle_alpha 66.99712660999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd6Se7O24
_chemical_formula_sum "Cd6 Se7 O24"
_cell_length_a 9.535666
_cell_length_b 7.426734
_cell_length_c 9.487163359999998
_cell_angle_alpha 66.99712660999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
RemoveAtomAction | 7e7bf7f2-6618-4e9c-a52b-f7c743512999 | mp-1247259 | Remove the atom at index 11 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N5
_chemical_formula_sum "Ca6 Rh2 N5"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... |
RemoveAtomAction | 91e8bcd0-9229-40c4-8604-760402945b98 | mp-1209956 | Remove the atom at index 1 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaTbPd6O8
_chemical_formula_sum "Na1 Tb1 Pd6 O8"
_cell_length_a 5.835133
_cell_length_b 5.835133
_cell_length_c 5.835133
_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 NaPd6O8
_chemical_formula_sum "Na1 Pd6 O8"
_cell_length_a 5.835133
_cell_length_b 5.835133
_cell_length_c 5.835133
_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_... |
RemoveAtomAction | 031cc729-785f-47d1-9261-15aaecb5c05a | mp-1204445 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Th2H4S6O24
_chemical_formula_sum "Th2 H4 S6 O24"
_cell_length_a 5.790092
_cell_length_b 9.23420924
_cell_length_c 9.80005057
_cell_angle_alpha 65.03082046000002
_cell_angle_beta 87.90115954
_cell_angle_gamma 89.00970674
_space_grou... | data_image0
_chemical_formula_structural Th2H3S6O24
_chemical_formula_sum "Th2 H3 S6 O24"
_cell_length_a 5.790092
_cell_length_b 9.23420924
_cell_length_c 9.80005057
_cell_angle_alpha 65.03082046000002
_cell_angle_beta 87.90115954
_cell_angle_gamma 89.00970674
_space_grou... |
RemoveAtomAction | 3d9dabf0-2788-4df4-a97b-6f58c2972733 | mp-755220 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3CrNi3O8
_chemical_formula_sum "Li3 Cr1 Ni3 O8"
_cell_length_a 5.83594517
_cell_length_b 5.83594517
_cell_length_c 5.84957653
_cell_angle_alpha 60.50939455000001
_cell_angle_beta 60.50939455000001
_cell_angle_gamma 59.17975227
_s... | data_image0
_chemical_formula_structural Li2CrNi3O8
_chemical_formula_sum "Li2 Cr1 Ni3 O8"
_cell_length_a 5.83594517
_cell_length_b 5.83594517
_cell_length_c 5.84957653
_cell_angle_alpha 60.50939455000001
_cell_angle_beta 60.50939455000001
_cell_angle_gamma 59.17975227
_s... |
RemoveAtomAction | eb4803cc-b5a8-4e41-882f-97bca75c445b | mp-28295 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2I2O6
_chemical_formula_sum "Cs2 I2 O6"
_cell_length_a 4.66904371
_cell_length_b 6.601774169999999
_cell_length_c 6.61473721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99353567
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2I2O5
_chemical_formula_sum "Cs2 I2 O5"
_cell_length_a 4.66904371
_cell_length_b 6.601774169999999
_cell_length_c 6.61473721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99353567
_space_group_name_H-M_alt ... |
RemoveAtomAction | d5fee256-9651-4094-b3e4-331ea6626fd0 | mp-1200879 | Remove the atom at index 35 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y6Ge26Pt8
_chemical_formula_sum "Y6 Ge26 Pt8"
_cell_length_a 9.10970153
_cell_length_b 9.10970153
_cell_length_c 9.17047569
_cell_angle_alpha 89.65004786
_cell_angle_beta 89.65004786
_cell_angle_gamma 89.92926009000001
_space_group... | data_image0
_chemical_formula_structural Y6Ge26Pt7
_chemical_formula_sum "Y6 Ge26 Pt7"
_cell_length_a 9.10970153
_cell_length_b 9.10970153
_cell_length_c 9.17047569
_cell_angle_alpha 89.65004786
_cell_angle_beta 89.65004786
_cell_angle_gamma 89.92926009000001
_space_group... |
RemoveAtomAction | 1d8284e1-e397-49df-a53d-85f3fcf485d6 | mp-1026800 | Remove the atom at index 12 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14SiC
_chemical_formula_sum "Mg14 Si1 C1"
_cell_length_a 6.37468633
_cell_length_b 7.79018563
_cell_length_c 8.47410854
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.66366127
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mg13SiC
_chemical_formula_sum "Mg13 Si1 C1"
_cell_length_a 6.37468633
_cell_length_b 7.79018563
_cell_length_c 8.47410854
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.66366127
_space_group_name_H-M_alt "P 1... |
RemoveAtomAction | 27f97620-d875-4294-a4e9-82f73b297975 | mp-756068 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4O4F12
_chemical_formula_sum "Li4 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 Li4V3O4F12
_chemical_formula_sum "Li4 V3 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
RemoveAtomAction | 2c17cbcc-de46-45ec-9a70-ff956a85c177 | mp-600154 | Remove the atom at index 25 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Cu2H16C8O24
_chemical_formula_sum "K4 Cu2 H16 C8 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural K4Cu2H16C7O24
_chemical_formula_sum "K4 Cu2 H16 C7 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
RemoveAtomAction | bbcadaac-b9b0-46b6-a17a-b7ecc4eac49b | mp-1022597 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mg12Zn2
_chemical_formula_sum "Li2 Mg12 Zn2"
_cell_length_a 5.039699
_cell_length_b 6.281844
_cell_length_c 10.75027
_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 Li2Mg11Zn2
_chemical_formula_sum "Li2 Mg11 Zn2"
_cell_length_a 5.039699
_cell_length_b 6.281844
_cell_length_c 10.75027
_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... |
RemoveAtomAction | 615de3d1-9e78-4a3e-b301-33be89276074 | mp-1180177 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4N4Cl12
_chemical_formula_sum "Mn4 N4 Cl12"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn3N4Cl12
_chemical_formula_sum "Mn3 N4 Cl12"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... |
RemoveAtomAction | cb6568af-7dc0-4cca-8fac-f0898ac3774d | mp-1175386 | Remove the atom at index 8 from 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 5.044997
_cell_length_b 6.58957371
_cell_length_c 8.8970701
_cell_angle_alpha 97.82224007
_cell_angle_beta 96.29207072000001
_cell_angle_gamma 97.54886918
_space_g... | data_image0
_chemical_formula_structural Li8Mn2Co5O16
_chemical_formula_sum "Li8 Mn2 Co5 O16"
_cell_length_a 5.044997
_cell_length_b 6.58957371
_cell_length_c 8.8970701
_cell_angle_alpha 97.82224007
_cell_angle_beta 96.29207072000001
_cell_angle_gamma 97.54886918
_space_g... |
RemoveAtomAction | 75e0979c-0394-42d0-9d11-013b78710d9c | mp-18973 | Remove the atom at index 17 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O19
_chemical_formula_sum "Co4 Se8 O19"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... |
RemoveAtomAction | 5c12802b-ca75-4c61-87d2-0f64784b7b46 | mp-1045114 | Remove the atom at index 12 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V6Se4ClO16
_chemical_formula_sum "Al2 V6 Se4 Cl1 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_gr... |
RemoveAtomAction | e9d92f05-983e-41e5-9e02-90c479d739ff | mp-28457 | Remove the atom at index 28 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... | data_image0
_chemical_formula_structural Ba2Ta15O31
_chemical_formula_sum "Ba2 Ta15 O31"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... |
RemoveAtomAction | d287f874-c16e-42c2-ba5b-4c1b705aa31a | mp-556103 | Remove the atom at index 49 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs18Ga12F54
_chemical_formula_sum "Cs18 Ga12 F54"
_cell_length_a 11.11359783
_cell_length_b 11.11359783
_cell_length_c 15.215299
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs18Ga12F53
_chemical_formula_sum "Cs18 Ga12 F53"
_cell_length_a 11.11359783
_cell_length_b 11.11359783
_cell_length_c 15.215299
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... |
RemoveAtomAction | 85e8b24f-3e5a-4a80-8413-17afc6547f38 | mp-560175 | Remove the atom at index 46 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Th2Mo8O32
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... | data_image0
_chemical_formula_structural Na8Th2Mo8O31
_chemical_formula_sum "Na8 Th2 Mo8 O31"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... |
RemoveAtomAction | ed9d0413-21de-4774-b058-757ecfbbe911 | mp-756652 | Remove the atom at index 19 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4P4O16
_chemical_formula_sum "Co4 P4 O16"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... | data_image0
_chemical_formula_structural Co4P4O15
_chemical_formula_sum "Co4 P4 O15"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... |
RemoveAtomAction | 8d15fd63-7819-4351-b15c-92f01269ea68 | mp-1046251 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O15
_chemical_formula_sum "Ta4 Zn4 W2 O15"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... |
RemoveAtomAction | fafeed43-c382-4642-b0ed-6988f9c234ad | mp-3855 | Remove the atom at index 16 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Be4F15
_chemical_formula_sum "Na8 Be4 F15"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
RemoveAtomAction | 945cf601-9d0f-4fc6-9a1a-6ae71fe6f366 | mp-1203399 | Remove the atom at index 26 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm3Cd33
_chemical_formula_sum "Sm3 Cd33"
_cell_length_a 9.32185955
_cell_length_b 9.32186058
_cell_length_c 9.32186162
_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 Sm3Cd32
_chemical_formula_sum "Sm3 Cd32"
_cell_length_a 9.32185955
_cell_length_b 9.32186058
_cell_length_c 9.32186162
_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... |
RemoveAtomAction | 783b3a6c-bc4a-4382-8259-3be38c8320d7 | mp-1226097 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr6Co2CuSe12
_chemical_formula_sum "Cr6 Co2 Cu1 Se12"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_grou... | data_image0
_chemical_formula_structural Cr5Co2CuSe12
_chemical_formula_sum "Cr5 Co2 Cu1 Se12"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_grou... |
RemoveAtomAction | ae318bd0-e745-48b1-851d-514acae7cf19 | mp-694989 | Remove the atom at index 44 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Nd10Fe12As12O12
_chemical_formula_sum "Sr2 Nd10 Fe12 As12 O12"
_cell_length_a 9.178751
_cell_length_b 10.1941072
_cell_length_c 11.60651037
_cell_angle_alpha 73.43616720999998
_cell_angle_beta 71.52431736
_cell_angle_gamma 68.786... | data_image0
_chemical_formula_structural Sr2Nd10Fe12As12O11
_chemical_formula_sum "Sr2 Nd10 Fe12 As12 O11"
_cell_length_a 9.178751
_cell_length_b 10.1941072
_cell_length_c 11.60651037
_cell_angle_alpha 73.43616720999998
_cell_angle_beta 71.52431736
_cell_angle_gamma 68.786... |
RemoveAtomAction | b774abed-728e-4538-b793-9179e1caf27d | mp-1102445 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr3Ni9
_chemical_formula_sum "Pr3 Ni9"
_cell_length_a 5.01960227
_cell_length_b 5.01960227
_cell_length_c 8.70414
_cell_angle_alpha 73.24105786
_cell_angle_beta 73.24105786
_cell_angle_gamma 59.999987250000004
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr3Ni8
_chemical_formula_sum "Pr3 Ni8"
_cell_length_a 5.01960227
_cell_length_b 5.01960227
_cell_length_c 8.70414
_cell_angle_alpha 73.24105786
_cell_angle_beta 73.24105786
_cell_angle_gamma 59.999987250000004
_space_group_name_H-M... |
RemoveAtomAction | 1e55d36d-da6d-4740-bd41-054ccd825948 | mp-559303 | Remove the atom at index 34 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mo4S12N8Cl32
_chemical_formula_sum "Mo4 S12 N8 Cl32"
_cell_length_a 16.692566
_cell_length_b 7.676201
_cell_length_c 12.989569700000002
_cell_angle_alpha 66.63816147000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Mo4S12N8Cl31
_chemical_formula_sum "Mo4 S12 N8 Cl31"
_cell_length_a 16.692566
_cell_length_b 7.676201
_cell_length_c 12.989569700000002
_cell_angle_alpha 66.63816147000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
RemoveAtomAction | 5c106cf3-0ebd-48c8-9f75-4895f7e2cf98 | mp-752 | Remove the atom at index 74 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn30Si52
_chemical_formula_sum "Mn30 Si52"
_cell_length_a 5.49601688
_cell_length_b 5.49601714
_cell_length_c 32.7908174
_cell_angle_alpha 94.80726195
_cell_angle_beta 94.80726148
_cell_angle_gamma 90.00000368
_space_group_name_H-M... | data_image0
_chemical_formula_structural Mn30Si51
_chemical_formula_sum "Mn30 Si51"
_cell_length_a 5.49601688
_cell_length_b 5.49601714
_cell_length_c 32.7908174
_cell_angle_alpha 94.80726195
_cell_angle_beta 94.80726148
_cell_angle_gamma 90.00000368
_space_group_name_H-M... |
RemoveAtomAction | c20c0004-64b3-4430-873e-0ee3e6b74037 | mp-13211 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te3O14
_chemical_formula_sum "Ag4 Te3 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... |
RemoveAtomAction | 7c8988cb-3525-4489-9a18-d0ec04ba349f | mp-1246483 | Remove the atom at index 12 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 Li12ReN8
_chemical_formula_sum "Li12 Re1 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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... |
RemoveAtomAction | 8a795297-5ec5-4313-85b6-8dac38f6dc47 | mp-27148 | Remove the atom at index 13 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be8P15
_chemical_formula_sum "Be8 P15"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... |
RemoveAtomAction | 52ff0cd3-f79a-42a2-a593-0a0481d14db9 | mp-559136 | Remove the atom at index 40 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4H32N8O40
_chemical_formula_sum "Ca4 H32 N8 O40"
_cell_length_a 9.08121717
_cell_length_b 6.04514035
_cell_length_c 14.66438184
_cell_angle_alpha 73.16406171
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4H32N7O40
_chemical_formula_sum "Ca4 H32 N7 O40"
_cell_length_a 9.08121717
_cell_length_b 6.04514035
_cell_length_c 14.66438184
_cell_angle_alpha 73.16406171
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
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