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 |
|---|---|---|---|---|---|
MoveAtomAction | ea78ef1e-3434-41dd-8ad3-758684970dd1 | mp-1105449 | Move the atom at index 12 by [ 0.423 -4.375 1.661] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | 1ee103c8-cacd-4395-888a-81d1cd091131 | mp-1178408 | Move the atom at index 19 by [-0.342 -0.286 0.08 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... |
MoveAtomAction | f8af10ad-d757-4e4d-a7e9-7e5376375a00 | mp-1569720 | Move the atom at index 13 by [-2.165 -1.15 -1.296] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... |
MoveAtomAction | 2e1c8797-1e44-4ac9-b8ce-aa3b69b89858 | mp-1185672 | Move the atom at index 20 by [4.821 0.754 2.085] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16Al12H
_chemical_formula_sum "Mg16 Al12 H1"
_cell_length_a 9.10495516
_cell_length_b 9.10495516
_cell_length_c 9.06015584
_cell_angle_alpha 70.47656207
_cell_angle_beta 70.47656207
_cell_angle_gamma 109.49636402000002
_space_gro... | data_image0
_chemical_formula_structural Mg16Al12H
_chemical_formula_sum "Mg16 Al12 H1"
_cell_length_a 9.10495516
_cell_length_b 9.10495516
_cell_length_c 9.06015584
_cell_angle_alpha 70.47656207
_cell_angle_beta 70.47656207
_cell_angle_gamma 109.49636402000002
_space_gro... |
MoveAtomAction | f02ca6c8-b666-41bb-a799-78c57a9f6636 | mp-757897 | Move the atom at index 31 by [ 0.935 -2.324 -1.421] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe12Co4O32
_chemical_formula_sum "Li8 Fe12 Co4 O32"
_cell_length_a 8.101068
_cell_length_b 8.101068
_cell_length_c 8.101068
_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 Li8Fe12Co4O32
_chemical_formula_sum "Li8 Fe12 Co4 O32"
_cell_length_a 8.101068
_cell_length_b 8.101068
_cell_length_c 8.101068
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 61189fb9-ab71-44b0-853f-70e6bd83fd5e | mp-1212427 | Move the atom at index 5 by [-0.2 -2.743 -1.935] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho8Co2
_chemical_formula_sum "Ho8 Co2"
_cell_length_a 7.44397896
_cell_length_b 7.44397896
_cell_length_c 7.44397896
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Ho8Co2
_chemical_formula_sum "Ho8 Co2"
_cell_length_a 7.44397896
_cell_length_b 7.44397896
_cell_length_c 7.44397896
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... |
MoveAtomAction | 574ddd19-78e5-48fa-a5a7-97f77cd82d41 | mp-1853 | Move the atom at index 1 by [ 0.069 -1.098 -0.511] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6P28
_chemical_formula_sum "Sr6 P28"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sr6P28
_chemical_formula_sum "Sr6 P28"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | 46bc6b73-ca00-402f-ac2d-f1a9f6723957 | mp-1047 | Move the atom at index 8 by [ 2.488 -0.911 -5.067] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... |
MoveAtomAction | 5886ffb7-4e0d-40dc-8e55-efe7846eff1f | mp-1224058 | Move the atom at index 13 by [ 1.43 0.844 -0.734] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 6b376469-6e69-46fb-a307-2a4fe6685ad6 | mp-2901360 | Move the atom at index 11 by [-0.067 2.491 0.568] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2I4O8
_chemical_formula_sum "Ca2 I4 O8"
_cell_length_a 9.42743655
_cell_length_b 3.75674854
_cell_length_c 7.122865850000001
_cell_angle_alpha 79.45788314
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca2I4O8
_chemical_formula_sum "Ca2 I4 O8"
_cell_length_a 9.42743655
_cell_length_b 3.75674854
_cell_length_c 7.122865850000001
_cell_angle_alpha 79.45788314
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 9be83a43-b618-4623-bb04-cd26901401a4 | mp-1201219 | Move the atom at index 12 by [ 2.704 -0.433 -1.537] angstrom in the cif file. | data_image0
_chemical_formula_structural V2H20Se2N2O18
_chemical_formula_sum "V2 H20 Se2 N2 O18"
_cell_length_a 10.192343
_cell_length_b 6.453246
_cell_length_c 6.96197425
_cell_angle_alpha 71.20626341
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural V2H20Se2N2O18
_chemical_formula_sum "V2 H20 Se2 N2 O18"
_cell_length_a 10.192343
_cell_length_b 6.453246
_cell_length_c 6.96197425
_cell_angle_alpha 71.20626341
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 74edd4dc-759c-4e67-80db-3c6619a49192 | mp-2217908 | Move the atom at index 9 by [-0.702 -5.522 -0.36 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCd2Co2O6
_chemical_formula_sum "Mg1 Cd2 Co2 O6"
_cell_length_a 6.21992716
_cell_length_b 6.22011824
_cell_length_c 6.21995203
_cell_angle_alpha 48.15589181999999
_cell_angle_beta 48.1563082
_cell_angle_gamma 48.15577986
_space_gr... | data_image0
_chemical_formula_structural MgCd2Co2O6
_chemical_formula_sum "Mg1 Cd2 Co2 O6"
_cell_length_a 6.21992716
_cell_length_b 6.22011824
_cell_length_c 6.21995203
_cell_angle_alpha 48.15589181999999
_cell_angle_beta 48.1563082
_cell_angle_gamma 48.15577986
_space_gr... |
MoveAtomAction | 739b9417-e391-41df-9c74-adc34228d03d | mp-18010 | Move the atom at index 21 by [ 1.107 -0.089 0.908] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Pd6Se16
_chemical_formula_sum "Ta4 Pd6 Se16"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_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 Ta4Pd6Se16
_chemical_formula_sum "Ta4 Pd6 Se16"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | eab61365-7e77-4dd2-921f-f563564bc879 | mp-541520 | Move the atom at index 32 by [ 0.697 -1.509 -0.189] angstrom in the cif file. | data_image0
_chemical_formula_structural K2V6Se4O24
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2V6Se4O24
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-M_a... |
MoveAtomAction | 9874e976-a056-41da-b06c-8fff84cf390e | mp-3536 | Move the atom at index 0 by [-0.276 -1.51 1.169] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... |
MoveAtomAction | 2c7092be-a9b2-4628-a61e-427d30429ea6 | mp-1518357 | Move the atom at index 5 by [-2.57 0.289 1.558] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... |
MoveAtomAction | 594bdd0e-8223-4603-a16d-9b376ead1bf5 | mp-1226598 | Move the atom at index 11 by [-3.09 -2.604 -0.633] angstrom in the cif file. | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... |
MoveAtomAction | c548abce-5ead-4fb3-a087-092423a2a760 | mp-1276118 | Move the atom at index 25 by [-1.179 2.326 1.294] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... |
MoveAtomAction | 07daa98e-5683-4d10-aadf-9c195661bdeb | mp-568234 | Move the atom at index 15 by [-3.495 -1.063 -0.416] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Ca2Sn12
_chemical_formula_sum "Na8 Ca2 Sn12"
_cell_length_a 10.1450155
_cell_length_b 10.1450155
_cell_length_c 7.232024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999674000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na8Ca2Sn12
_chemical_formula_sum "Na8 Ca2 Sn12"
_cell_length_a 10.1450155
_cell_length_b 10.1450155
_cell_length_c 7.232024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999674000001
_space_group_name_H-M_alt... |
MoveAtomAction | 11b11b30-27a6-41ae-9742-d108d41fb3c0 | mp-1196042 | Move the atom at index 26 by [-0.761 3.879 -1.769] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... |
MoveAtomAction | 6f991e53-ab9f-417a-bbb9-a108d8cfadec | mp-1105286 | Move the atom at index 12 by [0.683 3.428 0.008] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... |
MoveAtomAction | ba5518d3-d638-4bff-ac81-66ea13a158ae | mp-1028291 | Move the atom at index 3 by [1.33 2.161 1.661] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.35788669
_cell_length_b 6.26407423
_cell_length_c 10.26129398
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.51309288
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.35788669
_cell_length_b 6.26407423
_cell_length_c 10.26129398
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.51309288
_space_group_name_H-M_alt "... |
MoveAtomAction | 58a43591-ccd1-4648-8caa-a6beedc93a57 | mp-557900 | Move the atom at index 28 by [-0.187 -1.231 1.233] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAtomAction | 075512e9-4f16-4c71-861e-aea87df91c97 | mp-722910 | Move the atom at index 15 by [ 0.392 2.378 -2.438] angstrom in the cif file. | 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 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 ... |
MoveAtomAction | 0f9d01cb-61cc-40c9-b3f4-51247c5e4865 | mp-1079659 | Move the atom at index 0 by [-0.002 0.824 0.391] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
MoveAtomAction | dda68f23-7438-4df0-bccb-7345eccaa1ca | mp-1246724 | Move the atom at index 13 by [-1.027 -2.768 0.861] angstrom in the cif file. | data_image0
_chemical_formula_structural K12W2N8
_chemical_formula_sum "K12 W2 N8"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural K12W2N8
_chemical_formula_sum "K12 W2 N8"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
MoveAtomAction | d8dce131-381f-46a6-82e1-61d3298cfe2e | mp-1522534 | Move the atom at index 0 by [-1.946 -4.519 1.112] angstrom in the cif file. | data_image0
_chemical_formula_structural KSmV4O12
_chemical_formula_sum "K1 Sm1 V4 O12"
_cell_length_a 6.08342674
_cell_length_b 6.083426740000001
_cell_length_c 7.22975552
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.35195116
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural KSmV4O12
_chemical_formula_sum "K1 Sm1 V4 O12"
_cell_length_a 6.08342674
_cell_length_b 6.083426740000001
_cell_length_c 7.22975552
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.35195116
_space_group_name_H-M_a... |
MoveAtomAction | bae31190-f073-436d-b314-c1286f3097b4 | mp-1217053 | Move the atom at index 10 by [-1.354 3.005 -1.342] angstrom in the cif file. | data_image0
_chemical_formula_structural UFe10Si2
_chemical_formula_sum "U1 Fe10 Si2"
_cell_length_a 4.730447
_cell_length_b 6.3071932
_cell_length_c 6.3071932
_cell_angle_alpha 99.35466125000002
_cell_angle_beta 112.02456319999999
_cell_angle_gamma 67.9754368
_space_grou... | data_image0
_chemical_formula_structural UFe10Si2
_chemical_formula_sum "U1 Fe10 Si2"
_cell_length_a 4.730447
_cell_length_b 6.3071932
_cell_length_c 6.3071932
_cell_angle_alpha 99.35466125000002
_cell_angle_beta 112.02456319999999
_cell_angle_gamma 67.9754368
_space_grou... |
MoveAtomAction | 758d0b27-bf59-4f2a-987f-8d19f10c3938 | mp-771953 | Move the atom at index 17 by [ 1.418 0.698 -0.21 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... |
MoveAtomAction | 2643751f-b6ce-41b2-8441-8b2bb3b27437 | mp-765360 | Move the atom at index 2 by [-0.191 2.346 0.966] angstrom in the cif file. | data_image0
_chemical_formula_structural NiPt12O16
_chemical_formula_sum "Ni1 Pt12 O16"
_cell_length_a 8.02621634
_cell_length_b 8.02621634
_cell_length_c 8.02621634
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural NiPt12O16
_chemical_formula_sum "Ni1 Pt12 O16"
_cell_length_a 8.02621634
_cell_length_b 8.02621634
_cell_length_c 8.02621634
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
MoveAtomAction | 59a24d70-9ace-4601-960b-aef77b00454e | mp-1227224 | Move the atom at index 8 by [ 1.139 -0.033 -0.784] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... |
MoveAtomAction | 816d5ae1-8f6a-4c31-bc28-48e4eed13992 | mp-1032930 | Move the atom at index 5 by [-0.26 2.707 -2.093] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg6FeO8
_chemical_formula_sum "Ca1 Mg6 Fe1 O8"
_cell_length_a 8.71752451
_cell_length_b 4.36413882
_cell_length_c 4.36413882
_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 CaMg6FeO8
_chemical_formula_sum "Ca1 Mg6 Fe1 O8"
_cell_length_a 8.71752451
_cell_length_b 4.36413882
_cell_length_c 4.36413882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 0b7d9d3c-16ce-4566-b3cc-18f25c1ca835 | mp-1030940 | Move the atom at index 1 by [-2.284 -0.93 0.765] angstrom in the cif file. | data_image0
_chemical_formula_structural KMg6BiO8
_chemical_formula_sum "K1 Mg6 Bi1 O8"
_cell_length_a 9.03070652
_cell_length_b 4.60148896
_cell_length_c 4.60148896
_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 KMg6BiO8
_chemical_formula_sum "K1 Mg6 Bi1 O8"
_cell_length_a 9.03070652
_cell_length_b 4.60148896
_cell_length_c 4.60148896
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | a123e06c-4e9d-41c1-896e-0f701806de7b | mp-1105973 | Move the atom at index 13 by [ 2.881 -1.959 0.93 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_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 Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | db4b03c6-c347-4a1a-9436-56797e64941f | mp-1196630 | Move the atom at index 28 by [ 0.873 -0.242 -0.684] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveAtomAction | b9907160-a815-4339-a1af-0dcc8b4b289b | mp-768947 | Move the atom at index 7 by [ 1.796 0.491 -2.366] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Zn3Ge4O16
_chemical_formula_sum "Li10 Zn3 Ge4 O16"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001
_spa... | data_image0
_chemical_formula_structural Li10Zn3Ge4O16
_chemical_formula_sum "Li10 Zn3 Ge4 O16"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001
_spa... |
MoveAtomAction | 0fd9c9a6-8239-4949-91e4-4b5ccca81e67 | mp-766509 | Move the atom at index 26 by [ 0.962 -2.551 0.578] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn3VP4C4O28
_chemical_formula_sum "Li12 Mn3 V1 P4 C4 O28"
_cell_length_a 6.62103
_cell_length_b 8.529274
_cell_length_c 10.00008452
_cell_angle_alpha 85.44371267
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Li12Mn3VP4C4O28
_chemical_formula_sum "Li12 Mn3 V1 P4 C4 O28"
_cell_length_a 6.62103
_cell_length_b 8.529274
_cell_length_c 10.00008452
_cell_angle_alpha 85.44371267
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveAtomAction | 1cca1c9f-bdcf-4217-ab7e-b1ca571ab394 | mp-758323 | Move the atom at index 21 by [ 2.186 -5.489 0.302] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... |
MoveAtomAction | 17a67d2f-e836-42da-9fd0-01f8384f343c | mp-757107 | Move the atom at index 22 by [ 3.031 -3.165 -3.448] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... |
MoveAtomAction | e07d6744-bde8-4c63-b66b-1a8a7ffa65b9 | mp-1182357 | Move the atom at index 3 by [ 1.778 0.342 -2.424] angstrom in the cif file. | data_image0
_chemical_formula_structural BH12C3N
_chemical_formula_sum "B1 H12 C3 N1"
_cell_length_a 6.05032619
_cell_length_b 6.05032619
_cell_length_c 6.0503269
_cell_angle_alpha 108.44712973
_cell_angle_beta 108.44712973
_cell_angle_gamma 108.44713410999998
_space_grou... | data_image0
_chemical_formula_structural BH12C3N
_chemical_formula_sum "B1 H12 C3 N1"
_cell_length_a 6.05032619
_cell_length_b 6.05032619
_cell_length_c 6.0503269
_cell_angle_alpha 108.44712973
_cell_angle_beta 108.44712973
_cell_angle_gamma 108.44713410999998
_space_grou... |
MoveAtomAction | e0dd0030-694e-4642-8ccb-853d3b9f305d | mp-1208067 | Move the atom at index 9 by [-0.849 -1.516 2.645] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... |
MoveAtomAction | 6d1dfcd9-595e-487e-9885-08210aa3d31f | mp-1236434 | Move the atom at index 14 by [ 2.158 1.799 -1.944] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... |
MoveAtomAction | 7e9ab3a7-f334-4bd5-bfee-8e540134cb6a | mp-1202130 | Move the atom at index 31 by [ 0.723 2.309 -4.056] angstrom in the cif file. | data_image0
_chemical_formula_structural K4U4Se8O32
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K4U4Se8O32
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 73347485-dc44-4330-a1e5-882c6c710773 | mp-23180 | Move the atom at index 14 by [ 0.44 2.062 -3.329] angstrom in the cif file. | data_image0
_chemical_formula_structural In10Bi6
_chemical_formula_sum "In10 Bi6"
_cell_length_a 8.99298709
_cell_length_b 8.99298709
_cell_length_c 8.99298709
_cell_angle_alpha 124.13612909
_cell_angle_beta 124.13612909
_cell_angle_gamma 82.97386521999998
_space_group_na... | data_image0
_chemical_formula_structural In10Bi6
_chemical_formula_sum "In10 Bi6"
_cell_length_a 8.99298709
_cell_length_b 8.99298709
_cell_length_c 8.99298709
_cell_angle_alpha 124.13612909
_cell_angle_beta 124.13612909
_cell_angle_gamma 82.97386521999998
_space_group_na... |
MoveAtomAction | 7cc42934-17ee-4baf-baf4-b6fcdb92eb4f | mp-755150 | Move the atom at index 6 by [ 0.782 -0.562 -1.266] angstrom in the cif file. | data_image0
_chemical_formula_structural LiMn3Ni2O8
_chemical_formula_sum "Li1 Mn3 Ni2 O8"
_cell_length_a 5.95560691
_cell_length_b 5.95560691
_cell_length_c 5.95560691
_cell_angle_alpha 121.21523352000003
_cell_angle_beta 120.47303682
_cell_angle_gamma 88.54526209
_space... | data_image0
_chemical_formula_structural LiMn3Ni2O8
_chemical_formula_sum "Li1 Mn3 Ni2 O8"
_cell_length_a 5.95560691
_cell_length_b 5.95560691
_cell_length_c 5.95560691
_cell_angle_alpha 121.21523352000003
_cell_angle_beta 120.47303682
_cell_angle_gamma 88.54526209
_space... |
MoveAtomAction | 47e50469-142e-496c-ac66-2e88328a6318 | mp-1029422 | Move the atom at index 8 by [ 1.18 -2.547 -1.457] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... |
MoveAtomAction | d1daf0b4-0724-40ae-9b61-afdc92a8405c | mp-1222315 | Move the atom at index 0 by [-1.383 -1.327 -1.19 ] angstrom in the cif file. | data_image0
_chemical_formula_structural LiLaTi2O6
_chemical_formula_sum "Li1 La1 Ti2 O6"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural LiLaTi2O6
_chemical_formula_sum "Li1 La1 Ti2 O6"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveAtomAction | f28d1495-c9f2-4f33-99c3-9c0e9c584a5f | mp-1204213 | Move the atom at index 59 by [ 2.932 -1.348 1.323] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | ff2e269e-2e75-4c03-83ac-d73bb5e2529e | mp-769628 | Move the atom at index 16 by [-3.293 -0.663 0.311] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... |
MoveAtomAction | 7acb275b-b6a2-4cd6-ae65-0e3849fd2e1b | mp-569299 | Move the atom at index 10 by [ 2.649 -0.724 1.104] angstrom in the cif file. | data_image0
_chemical_formula_structural Be4B8C8
_chemical_formula_sum "Be4 B8 C8"
_cell_length_a 4.701496
_cell_length_b 5.433968
_cell_length_c 6.133034
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Be4B8C8
_chemical_formula_sum "Be4 B8 C8"
_cell_length_a 4.701496
_cell_length_b 5.433968
_cell_length_c 6.133034
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
MoveAtomAction | acfa0ad3-3b3f-43a1-9d65-f7d8fb977381 | mp-1212808 | Move the atom at index 2 by [ 4.452 0.576 -0.089] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... |
MoveAtomAction | 2062cc5f-e239-4b9c-96ff-a792742b59ca | mp-1173625 | Move the atom at index 17 by [ 0.477 1.604 -2.462] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr20Mg6Fe4Mo10O60
_chemical_formula_sum "Sr20 Mg6 Fe4 Mo10 O60"
_cell_length_a 5.65487814
_cell_length_b 56.61730067
_cell_length_c 5.668843420000001
_cell_angle_alpha 119.77604449
_cell_angle_beta 119.74319130000002
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr20Mg6Fe4Mo10O60
_chemical_formula_sum "Sr20 Mg6 Fe4 Mo10 O60"
_cell_length_a 5.65487814
_cell_length_b 56.61730067
_cell_length_c 5.668843420000001
_cell_angle_alpha 119.77604449
_cell_angle_beta 119.74319130000002
_cell_angle_gamma ... |
MoveAtomAction | 458e366b-0e32-4eda-8cb7-f0273dd01028 | mp-755804 | Move the atom at index 18 by [ 1.625 2.073 -6.194] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu6TeO12
_chemical_formula_sum "Lu6 Te1 O12"
_cell_length_a 6.27780857
_cell_length_b 6.27780881
_cell_length_c 6.27780799
_cell_angle_alpha 98.83322104
_cell_angle_beta 98.83322721000002
_cell_angle_gamma 98.83321398
_space_group_... | data_image0
_chemical_formula_structural Lu6TeO12
_chemical_formula_sum "Lu6 Te1 O12"
_cell_length_a 6.27780857
_cell_length_b 6.27780881
_cell_length_c 6.27780799
_cell_angle_alpha 98.83322104
_cell_angle_beta 98.83322721000002
_cell_angle_gamma 98.83321398
_space_group_... |
MoveAtomAction | bebf7fa4-e1ce-4971-bd1f-9afe452bf442 | mp-1180177 | Move the atom at index 18 by [-2.367 -0.853 1.326] angstrom in the cif file. | 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 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"... |
MoveAtomAction | eeffbe80-b05a-4e03-9177-11e056874bb0 | mp-1213024 | Move the atom at index 12 by [ 0.552 -4.437 -0.407] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... |
MoveAtomAction | 2da64d75-e5c5-499e-9146-e9094b13a2f8 | mp-642735 | Move the atom at index 7 by [-2.94 -0.705 -1.53 ] angstrom in the cif file. | 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 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... |
MoveAtomAction | 2ebb09d1-7906-43fe-8b17-023ec118fd94 | mp-2217675 | Move the atom at index 2 by [-1.261 -0.931 -1.042] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn2Al2O6
_chemical_formula_sum "Mg1 Mn2 Al2 O6"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_space... | data_image0
_chemical_formula_structural MgMn2Al2O6
_chemical_formula_sum "Mg1 Mn2 Al2 O6"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_space... |
MoveAtomAction | 80c0eb7d-1ef1-4759-9457-002fa79bcfca | mp-18411 | Move the atom at index 20 by [1.384 1.562 2.867] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveAtomAction | edcb7b33-84f0-424f-b1b8-3cacfb389bfe | mp-752888 | Move the atom at index 6 by [1.506 0.11 0.324] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cu2Si2O8
_chemical_formula_sum "Li4 Cu2 Si2 O8"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cu2Si2O8
_chemical_formula_sum "Li4 Cu2 Si2 O8"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-M_al... |
MoveAtomAction | 9a49b248-89c9-42e7-bf8c-b31fc49b1e56 | mp-735491 | Move the atom at index 4 by [-1.325 2.148 0.602] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg2H24Cl6O12
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma 107.1... | data_image0
_chemical_formula_structural CaMg2H24Cl6O12
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma 107.1... |
MoveAtomAction | f32b8ab2-71e7-4906-9027-77fdd6932622 | mp-1028424 | Move the atom at index 1 by [ 2.91 1.872 -0.762] angstrom in the cif file. | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... |
MoveAtomAction | a430e73e-9e99-42ed-a380-e787e5837f1f | mp-1233972 | Move the atom at index 31 by [0.207 1.503 0.578] angstrom in the cif file. | data_image0
_chemical_formula_structural K2MgFe4P6O16F12
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma 91.902... | data_image0
_chemical_formula_structural K2MgFe4P6O16F12
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma 91.902... |
MoveAtomAction | 04e58820-efe8-4cb5-b05a-c532f9af2fee | mp-22850 | Move the atom at index 1 by [-2.676 4.178 -0.076] angstrom in the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... |
MoveAtomAction | b1421bcc-7c62-4e9e-afd4-28147deeb7d8 | mp-1179847 | Move the atom at index 2 by [-1.415 1.095 -2.711] angstrom in the cif file. | data_image0
_chemical_formula_structural Pt4N8Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural Pt4N8Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_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_... |
MoveAtomAction | 01c33ff9-dcae-4eb1-a48b-7f8f8aadc3c9 | mp-758641 | Move the atom at index 36 by [ 1.338 -0.048 1.12 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe4Ni10O24
_chemical_formula_sum "Li8 Fe4 Ni10 O24"
_cell_length_a 8.881747
_cell_length_b 5.034984
_cell_length_c 9.77686885
_cell_angle_alpha 79.35162121
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Fe4Ni10O24
_chemical_formula_sum "Li8 Fe4 Ni10 O24"
_cell_length_a 8.881747
_cell_length_b 5.034984
_cell_length_c 9.77686885
_cell_angle_alpha 79.35162121
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | f03d8003-1e2c-4ea7-b300-e98e3f3a1527 | mp-772952 | Move the atom at index 55 by [ 5.066 0.322 -1.042] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_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 Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | 099da150-fe6a-4b29-aeb4-4acb7d5b5058 | mp-1111040 | Move the atom at index 2 by [ 1.838 1.882 -1.009] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2HgBiI6
_chemical_formula_sum "Rb2 Hg1 Bi1 I6"
_cell_length_a 8.80678303
_cell_length_b 8.80678303
_cell_length_c 8.80678303
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2HgBiI6
_chemical_formula_sum "Rb2 Hg1 Bi1 I6"
_cell_length_a 8.80678303
_cell_length_b 8.80678303
_cell_length_c 8.80678303
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... |
MoveAtomAction | 50357120-18b5-45d7-93b4-774dca771852 | mp-1216284 | Move the atom at index 12 by [ 0.201 -0.61 -0.159] angstrom in the cif file. | data_image0
_chemical_formula_structural V4Re4O16
_chemical_formula_sum "V4 Re4 O16"
_cell_length_a 4.77833602
_cell_length_b 7.50857354
_cell_length_c 7.50850184
_cell_angle_alpha 100.99219614000002
_cell_angle_beta 91.2023349
_cell_angle_gamma 91.20688056
_space_group_n... | data_image0
_chemical_formula_structural V4Re4O16
_chemical_formula_sum "V4 Re4 O16"
_cell_length_a 4.77833602
_cell_length_b 7.50857354
_cell_length_c 7.50850184
_cell_angle_alpha 100.99219614000002
_cell_angle_beta 91.2023349
_cell_angle_gamma 91.20688056
_space_group_n... |
MoveAtomAction | bcfe0c20-566e-4358-bb96-0dede2e5012b | mp-1048483 | Move the atom at index 10 by [ 1.261 2.316 -0.193] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2AlNi3O7
_chemical_formula_sum "Ba2 Al1 Ni3 O7"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_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 Ba2AlNi3O7
_chemical_formula_sum "Ba2 Al1 Ni3 O7"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAtomAction | b0dce34a-0b97-499a-9424-3e7a1cf40dd2 | mp-1196290 | Move the atom at index 23 by [ 1.402 4.152 -0.074] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 62812dad-8740-4dce-b647-eea7ee6c4831 | mp-532700 | Move the atom at index 65 by [ 0.032 0.294 -0.45 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3La21Zn2Cu10O48
_chemical_formula_sum "Sr3 La21 Zn2 Cu10 O48"
_cell_length_a 5.36805
_cell_length_b 5.533925
_cell_length_c 39.24638072
_cell_angle_alpha 89.80141967
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sr3La21Zn2Cu10O48
_chemical_formula_sum "Sr3 La21 Zn2 Cu10 O48"
_cell_length_a 5.36805
_cell_length_b 5.533925
_cell_length_c 39.24638072
_cell_angle_alpha 89.80141967
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAtomAction | f7d7fba9-9ae1-4049-9caa-36d84af3d7cb | mp-779525 | Move the atom at index 54 by [-2.067 -0.313 -0.274] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Sb6P16O58
_chemical_formula_sum "Li6 Sb6 P16 O58"
_cell_length_a 9.81431617
_cell_length_b 9.814316169999998
_cell_length_c 14.34933458
_cell_angle_alpha 89.75970408
_cell_angle_beta 89.75970408
_cell_angle_gamma 60.18746356
_sp... | data_image0
_chemical_formula_structural Li6Sb6P16O58
_chemical_formula_sum "Li6 Sb6 P16 O58"
_cell_length_a 9.81431617
_cell_length_b 9.814316169999998
_cell_length_c 14.34933458
_cell_angle_alpha 89.75970408
_cell_angle_beta 89.75970408
_cell_angle_gamma 60.18746356
_sp... |
MoveAtomAction | bdce63d1-cf1f-43b3-b517-5716c1ae25b2 | mp-1020620 | Move the atom at index 42 by [-0.316 -1.079 -2.82 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb5Li6B11O22
_chemical_formula_sum "Rb5 Li6 B11 O22"
_cell_length_a 6.9108715
_cell_length_b 6.910871500000001
_cell_length_c 13.90918786
_cell_angle_alpha 75.49352378
_cell_angle_beta 75.49352378
_cell_angle_gamma 62.92486309999999... | data_image0
_chemical_formula_structural Rb5Li6B11O22
_chemical_formula_sum "Rb5 Li6 B11 O22"
_cell_length_a 6.9108715
_cell_length_b 6.910871500000001
_cell_length_c 13.90918786
_cell_angle_alpha 75.49352378
_cell_angle_beta 75.49352378
_cell_angle_gamma 62.92486309999999... |
MoveAtomAction | e113ce38-6d34-4052-a73d-d7fbeb962399 | mp-722910 | Move the atom at index 12 by [-1.366 2.157 2.917] angstrom in the cif file. | 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 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 ... |
MoveAtomAction | 9131e986-4095-44d3-9af8-3358c24b2bad | mp-2452 | Move the atom at index 13 by [1.74 0.108 3.089] angstrom in the cif file. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... |
MoveAtomAction | 2ecb6fc7-2f54-4371-938b-57a51b103082 | mp-2747986 | Move the atom at index 4 by [ 0.83 -1.934 -3.706] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... |
MoveAtomAction | eccbee62-50a5-4d4f-8b1a-be6c5397b308 | mp-22663 | Move the atom at index 8 by [ 1.872 -3.612 -1.519] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Li2Fe2F12
_chemical_formula_sum "Rb4 Li2 Fe2 F12"
_cell_length_a 10.3533976
_cell_length_b 10.3533976
_cell_length_c 10.3533979
_cell_angle_alpha 33.65900677
_cell_angle_beta 33.65900677000001
_cell_angle_gamma 33.65901299999999
... | data_image0
_chemical_formula_structural Rb4Li2Fe2F12
_chemical_formula_sum "Rb4 Li2 Fe2 F12"
_cell_length_a 10.3533976
_cell_length_b 10.3533976
_cell_length_c 10.3533979
_cell_angle_alpha 33.65900677
_cell_angle_beta 33.65900677000001
_cell_angle_gamma 33.65901299999999
... |
MoveAtomAction | 6e1b7447-ccd7-46cd-8f16-fcd778e842f0 | mp-10935 | Move the atom at index 10 by [ 1.397 0.454 -3.14 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Er2P2O8F2
_chemical_formula_sum "Na2 Er2 P2 O8 F2"
_cell_length_a 5.66893758
_cell_length_b 5.66893758
_cell_length_c 6.50182419
_cell_angle_alpha 77.28592238000002
_cell_angle_beta 77.28592238000002
_cell_angle_gamma 75.5885696
... | data_image0
_chemical_formula_structural Na2Er2P2O8F2
_chemical_formula_sum "Na2 Er2 P2 O8 F2"
_cell_length_a 5.66893758
_cell_length_b 5.66893758
_cell_length_c 6.50182419
_cell_angle_alpha 77.28592238000002
_cell_angle_beta 77.28592238000002
_cell_angle_gamma 75.5885696
... |
MoveAtomAction | d037f81e-78ba-42d8-a962-8964e9d0961f | mp-779533 | Move the atom at index 0 by [-2.657 1.427 -0.217] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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... |
MoveAtomAction | c8a25409-ee96-435e-a366-3a71a80cd202 | mp-601716 | Move the atom at index 3 by [-2.555 0.13 -2.29 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4Bi4Sb4S16
_chemical_formula_sum "Fe4 Bi4 Sb4 S16"
_cell_length_a 3.652695
_cell_length_b 11.587656
_cell_length_c 13.842758
_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 Fe4Bi4Sb4S16
_chemical_formula_sum "Fe4 Bi4 Sb4 S16"
_cell_length_a 3.652695
_cell_length_b 11.587656
_cell_length_c 13.842758
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 35af7581-a705-438f-962d-8f2b0e77e172 | mp-19808 | Move the atom at index 8 by [-3.824 -1.384 -1.714] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2Zn4Ge4
_chemical_formula_sum "Eu2 Zn4 Ge4"
_cell_length_a 4.31729603
_cell_length_b 4.31729603
_cell_length_c 10.51005343
_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 Eu2Zn4Ge4
_chemical_formula_sum "Eu2 Zn4 Ge4"
_cell_length_a 4.31729603
_cell_length_b 4.31729603
_cell_length_c 10.51005343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | 879f250a-a04a-43a7-896b-e2dd505f27f5 | mp-780186 | Move the atom at index 32 by [-1.239 0.685 0.69 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn10O20
_chemical_formula_sum "Li9 Mn10 O20"
_cell_length_a 5.130761
_cell_length_b 7.95721245
_cell_length_c 10.58464303
_cell_angle_alpha 105.63652019
_cell_angle_beta 101.21512979
_cell_angle_gamma 105.78322504
_space_group_n... | data_image0
_chemical_formula_structural Li9Mn10O20
_chemical_formula_sum "Li9 Mn10 O20"
_cell_length_a 5.130761
_cell_length_b 7.95721245
_cell_length_c 10.58464303
_cell_angle_alpha 105.63652019
_cell_angle_beta 101.21512979
_cell_angle_gamma 105.78322504
_space_group_n... |
MoveAtomAction | 008a053f-aa56-465e-a3e0-1ddbdf029231 | mp-765943 | Move the atom at index 8 by [ 1.973 -0.774 2.772] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... |
MoveAtomAction | 2ffd4015-a8e9-4b4e-b0d7-9a971f90ca1c | mp-20268 | Move the atom at index 6 by [-1.018 -2.167 -0.086] angstrom in the cif file. | 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 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
... |
MoveAtomAction | 25b4450a-e1ee-4a40-9cf9-c72f7d94f41a | mp-17753 | Move the atom at index 1 by [-0.521 1.728 1.88 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd6Ru2O14
_chemical_formula_sum "Nd6 Ru2 O14"
_cell_length_a 6.60662235
_cell_length_b 6.606622350000001
_cell_length_c 7.52891995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.20727569
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Nd6Ru2O14
_chemical_formula_sum "Nd6 Ru2 O14"
_cell_length_a 6.60662235
_cell_length_b 6.606622350000001
_cell_length_c 7.52891995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.20727569
_space_group_name_H-M_al... |
MoveAtomAction | ab1847ca-6dff-4605-b80c-216bb5c7099b | mp-35143 | Move the atom at index 8 by [0.23 3.825 1.985] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... |
MoveAtomAction | 51644707-f9b9-42e7-8bc1-02b6930a2234 | mp-1354855 | Move the atom at index 32 by [-1.86 0.259 0.678] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Ti12O24
_chemical_formula_sum "Ca6 Ti12 O24"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999994
_... | data_image0
_chemical_formula_structural Ca6Ti12O24
_chemical_formula_sum "Ca6 Ti12 O24"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999994
_... |
MoveAtomAction | fced4935-aa5b-4b18-9ed1-eb4f0e9778a6 | mp-1233843 | Move the atom at index 15 by [-3.416 -2.374 2.913] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... |
MoveAtomAction | d8d4db28-c2e1-4d2e-9e81-78db9e36839c | mp-1246916 | Move the atom at index 8 by [-1.118 -0.581 1.042] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Ni10N8
_chemical_formula_sum "Mg2 Ni10 N8"
_cell_length_a 7.759587
_cell_length_b 6.009984
_cell_length_c 4.348536
_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 Mg2Ni10N8
_chemical_formula_sum "Mg2 Ni10 N8"
_cell_length_a 7.759587
_cell_length_b 6.009984
_cell_length_c 4.348536
_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... |
MoveAtomAction | 9b7549ab-4069-48c4-8893-584dc8dee0a9 | mp-1043721 | Move the atom at index 4 by [ 0.354 -0.023 -0.158] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | cd2a6271-c843-4058-9409-dbf421ea6790 | mp-1026795 | Move the atom at index 11 by [ 0.356 2.259 -0.712] angstrom in the cif file. | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... |
MoveAtomAction | 65fd6f8e-e957-4816-a037-930499879cd8 | mp-763051 | Move the atom at index 13 by [-4.81 -1.196 -0.217] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 5.13099459
_cell_length_b 5.93920482
_cell_length_c 7.86264398
_cell_angle_alpha 100.88303528999998
_cell_angle_beta 70.52889016
_cell_angle_gamma 90.00075203
_space_gro... | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 5.13099459
_cell_length_b 5.93920482
_cell_length_c 7.86264398
_cell_angle_alpha 100.88303528999998
_cell_angle_beta 70.52889016
_cell_angle_gamma 90.00075203
_space_gro... |
MoveAtomAction | 295ffebe-e2d1-4606-af1f-f42cf245527e | mp-1227489 | Move the atom at index 30 by [-3.17 3.154 -1.451] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Al24O38
_chemical_formula_sum "Ca2 Al24 O38"
_cell_length_a 5.61109181
_cell_length_b 5.61109181
_cell_length_c 22.067731
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ca2Al24O38
_chemical_formula_sum "Ca2 Al24 O38"
_cell_length_a 5.61109181
_cell_length_b 5.61109181
_cell_length_c 22.067731
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779999999
_space_group_name_H-M_al... |
MoveAtomAction | c4a0e708-babf-4a15-a171-157101d50dbe | mp-759328 | Move the atom at index 28 by [ 1.358 1.547 -1.709] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti4V6O20
_chemical_formula_sum "Li4 Ti4 V6 O20"
_cell_length_a 5.14849813
_cell_length_b 7.73748258
_cell_length_c 10.46219472
_cell_angle_alpha 104.39594751
_cell_angle_beta 103.46170253
_cell_angle_gamma 78.20151557
_space_gro... | data_image0
_chemical_formula_structural Li4Ti4V6O20
_chemical_formula_sum "Li4 Ti4 V6 O20"
_cell_length_a 5.14849813
_cell_length_b 7.73748258
_cell_length_c 10.46219472
_cell_angle_alpha 104.39594751
_cell_angle_beta 103.46170253
_cell_angle_gamma 78.20151557
_space_gro... |
MoveAtomAction | 762f6ec4-bd89-4c99-9ec9-b8f0c63b55a5 | mp-1217947 | Move the atom at index 21 by [2.645 1.533 2.961] angstrom in the cif file. | 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 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... |
MoveAtomAction | dc4de096-5a52-4c6a-a42a-5627412e2678 | mp-17728 | Move the atom at index 10 by [ 1.074 -0.94 2.095] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... |
MoveAtomAction | cde57910-aabe-403b-b8e3-c7bb0d53faa4 | mp-1191384 | Move the atom at index 0 by [0.417 0.583 0.589] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4B8H12
_chemical_formula_sum "Ca4 B8 H12"
_cell_length_a 3.639707
_cell_length_b 3.54837387
_cell_length_c 16.44897779
_cell_angle_alpha 90.92026841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca4B8H12
_chemical_formula_sum "Ca4 B8 H12"
_cell_length_a 3.639707
_cell_length_b 3.54837387
_cell_length_c 16.44897779
_cell_angle_alpha 90.92026841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 3f1c3900-0703-4290-a2d2-3be9876e41e0 | mp-1213000 | Move the atom at index 1 by [-1.234 0.413 2.622] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2Ag2W4O16
_chemical_formula_sum "Eu2 Ag2 W4 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_... | data_image0
_chemical_formula_structural Eu2Ag2W4O16
_chemical_formula_sum "Eu2 Ag2 W4 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_... |
MoveAtomAction | 54194d1e-e4f4-4e8f-bc38-b35a06ed789a | mp-989551 | Move the atom at index 6 by [-1.654 1.528 -2.807] angstrom in the cif file. | data_image0
_chemical_formula_structural LiTl2InF6
_chemical_formula_sum "Li1 Tl2 In1 F6"
_cell_length_a 6.05849797
_cell_length_b 6.05849797
_cell_length_c 6.05849797
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural LiTl2InF6
_chemical_formula_sum "Li1 Tl2 In1 F6"
_cell_length_a 6.05849797
_cell_length_b 6.05849797
_cell_length_c 6.05849797
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveAtomAction | 7a6a27cd-8773-44af-bf06-6ef5d8b12b62 | mp-779858 | Move the atom at index 20 by [-3.088 0.963 2.268] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm12Nb4O28
_chemical_formula_sum "Sm12 Nb4 O28"
_cell_length_a 7.6038
_cell_length_b 7.722814
_cell_length_c 10.832305
_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 Sm12Nb4O28
_chemical_formula_sum "Sm12 Nb4 O28"
_cell_length_a 7.6038
_cell_length_b 7.722814
_cell_length_c 10.832305
_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... |
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