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 | 24671b22-85b8-4e2a-8f71-9f70b7f4fc99 | mp-1198393 | Move the atom at index 20 by [-4.477 -0.058 -3.927] angstrom in the cif file. | data_image0
_chemical_formula_structural La4I12O38
_chemical_formula_sum "La4 I12 O38"
_cell_length_a 11.25767
_cell_length_b 7.444486
_cell_length_c 12.97375816
_cell_angle_alpha 57.35239296000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4I12O38
_chemical_formula_sum "La4 I12 O38"
_cell_length_a 11.25767
_cell_length_b 7.444486
_cell_length_c 12.97375816
_cell_angle_alpha 57.35239296000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | a93822d6-51cf-4cd4-b493-b6137bb7d778 | mp-1104062 | Move the atom at index 4 by [-2.139 -0.146 2.882] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... |
MoveAtomAction | 6b227b7d-b222-45b2-8c5b-207d19f84f7d | mp-1105449 | Move the atom at index 7 by [-1.507 4.341 3.37 ] 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 | 8c792bc2-5ad2-406c-bc86-8bedff836f4f | mp-1246014 | Move the atom at index 8 by [-2.489 -0.255 3.262] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6In4N8
_chemical_formula_sum "Mg6 In4 N8"
_cell_length_a 6.5109743
_cell_length_b 8.86459398
_cell_length_c 5.63378613
_cell_angle_alpha 90.00000371
_cell_angle_beta 91.85940546
_cell_angle_gamma 132.90168955000001
_space_group_n... | data_image0
_chemical_formula_structural Mg6In4N8
_chemical_formula_sum "Mg6 In4 N8"
_cell_length_a 6.5109743
_cell_length_b 8.86459398
_cell_length_c 5.63378613
_cell_angle_alpha 90.00000371
_cell_angle_beta 91.85940546
_cell_angle_gamma 132.90168955000001
_space_group_n... |
MoveAtomAction | 68fa2431-be85-4c2e-b80e-d411da49487e | mp-1190081 | Move the atom at index 5 by [ 2.518 1.176 -2.333] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4SiRh12
_chemical_formula_sum "Ce4 Si1 Rh12"
_cell_length_a 7.14632626
_cell_length_b 7.14632626
_cell_length_c 7.1463262599999995
_cell_angle_alpha 109.47133709
_cell_angle_beta 109.47133709
_cell_angle_gamma 109.47133709
_space... | data_image0
_chemical_formula_structural Ce4SiRh12
_chemical_formula_sum "Ce4 Si1 Rh12"
_cell_length_a 7.14632626
_cell_length_b 7.14632626
_cell_length_c 7.1463262599999995
_cell_angle_alpha 109.47133709
_cell_angle_beta 109.47133709
_cell_angle_gamma 109.47133709
_space... |
MoveAtomAction | 11b96667-0ff0-4aae-83ee-0aa17b905ebd | mp-800259 | Move the atom at index 14 by [-1.319 -3.643 -1.155] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... |
MoveAtomAction | a90e1924-94f0-4d19-94b4-971b86b15209 | mp-1176748 | Move the atom at index 11 by [-3.619 1.837 2.452] angstrom in the cif file. | data_image0
_chemical_formula_structural LiCu3Si2O6
_chemical_formula_sum "Li1 Cu3 Si2 O6"
_cell_length_a 4.8388987
_cell_length_b 4.8388987
_cell_length_c 5.90468181
_cell_angle_alpha 82.15013831999998
_cell_angle_beta 82.15013831999998
_cell_angle_gamma 119.94564055
_sp... | data_image0
_chemical_formula_structural LiCu3Si2O6
_chemical_formula_sum "Li1 Cu3 Si2 O6"
_cell_length_a 4.8388987
_cell_length_b 4.8388987
_cell_length_c 5.90468181
_cell_angle_alpha 82.15013831999998
_cell_angle_beta 82.15013831999998
_cell_angle_gamma 119.94564055
_sp... |
MoveAtomAction | 36312d6a-a32d-44dd-8306-38064f490e4d | mp-1203991 | Move the atom at index 13 by [-1.606 1.159 -1.123] angstrom in the cif file. | data_image0
_chemical_formula_structural K2PdS8O26
_chemical_formula_sum "K2 Pd1 S8 O26"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107.9369395... | data_image0
_chemical_formula_structural K2PdS8O26
_chemical_formula_sum "K2 Pd1 S8 O26"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107.9369395... |
MoveAtomAction | ce02b464-4c70-4360-b4b8-ebf8b3e904de | mp-1204031 | Move the atom at index 14 by [-1.12 1.671 5.326] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn6Se6O20
_chemical_formula_sum "Zn6 Se6 O20"
_cell_length_a 8.200582
_cell_length_b 8.33735723
_cell_length_c 8.80680441
_cell_angle_alpha 64.46594991999999
_cell_angle_beta 68.49848698
_cell_angle_gamma 68.82866477
_space_group_n... | data_image0
_chemical_formula_structural Zn6Se6O20
_chemical_formula_sum "Zn6 Se6 O20"
_cell_length_a 8.200582
_cell_length_b 8.33735723
_cell_length_c 8.80680441
_cell_angle_alpha 64.46594991999999
_cell_angle_beta 68.49848698
_cell_angle_gamma 68.82866477
_space_group_n... |
MoveAtomAction | 59c11770-9ef6-46bd-8388-b01e6413b4b5 | mp-35143 | Move the atom at index 0 by [-1.804 4.77 -5.322] 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 | b7bbaacd-dea3-410d-9dfb-1f303d9fc5d5 | mp-1047596 | Move the atom at index 12 by [-1.046 2.627 0.52 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveAtomAction | 73ac3242-5a9e-4bd7-876f-261dbd7a907d | mp-1522623 | Move the atom at index 3 by [ 0.4 -0.279 0.067] angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaNi4O12
_chemical_formula_sum "Ba1 Ca1 Ni4 O12"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_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 BaCaNi4O12
_chemical_formula_sum "Ba1 Ca1 Ni4 O12"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 690243e8-cb3f-4a9d-8107-c9176003d7db | mp-557667 | Move the atom at index 24 by [-0.142 -0.561 -4.259] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... |
MoveAtomAction | c037fa7c-be68-43a0-9c0e-e9e01c7c8900 | mp-1032803 | Move the atom at index 11 by [ 0.354 1.565 -2.645] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_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 Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 05e37bac-54a9-4e6f-9223-fee9aca78260 | mp-1211316 | Move the atom at index 3 by [ 3.98 -1.433 -0.819] angstrom in the cif file. | data_image0
_chemical_formula_structural K2V4Ag2O12
_chemical_formula_sum "K2 V4 Ag2 O12"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group_na... | data_image0
_chemical_formula_structural K2V4Ag2O12
_chemical_formula_sum "K2 V4 Ag2 O12"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group_na... |
MoveAtomAction | cefe39cd-e7a4-4429-bc5b-cce86f68a492 | mp-1247150 | Move the atom at index 22 by [ 0.75 -0.118 0.644] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn24N28
_chemical_formula_sum "Li4 Mn24 N28"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn24N28
_chemical_formula_sum "Li4 Mn24 N28"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 08a3ddd1-cd72-4d93-ab80-37dcab4ecc19 | mp-1103827 | Move the atom at index 13 by [ 0.888 1.519 -0.634] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... |
MoveAtomAction | 98a4d8dc-8c67-4561-8fcc-58366d1fe6e4 | mp-1048365 | Move the atom at index 4 by [-0.618 -1.094 -0.286] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... |
MoveAtomAction | e4543df9-3832-47f7-a4c1-1cf02b43b13c | mp-1188402 | Move the atom at index 12 by [3.261 1.014 2.958] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu3Mo2H2O10
_chemical_formula_sum "Cu3 Mo2 H2 O10"
_cell_length_a 5.86853367
_cell_length_b 5.736943139999999
_cell_length_c 7.85002799
_cell_angle_alpha 103.47643980999999
_cell_angle_beta 111.61979821
_cell_angle_gamma 94.00059654... | data_image0
_chemical_formula_structural Cu3Mo2H2O10
_chemical_formula_sum "Cu3 Mo2 H2 O10"
_cell_length_a 5.86853367
_cell_length_b 5.736943139999999
_cell_length_c 7.85002799
_cell_angle_alpha 103.47643980999999
_cell_angle_beta 111.61979821
_cell_angle_gamma 94.00059654... |
MoveAtomAction | 295af752-f539-4c5f-834b-214f4c60cfbc | mp-1212423 | Move the atom at index 16 by [2.439 1.902 0.696] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho12In3Fe2
_chemical_formula_sum "Ho12 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_... | data_image0
_chemical_formula_structural Ho12In3Fe2
_chemical_formula_sum "Ho12 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_... |
MoveAtomAction | 0445d25d-aa22-464e-965a-4a70e3004269 | mp-1644899 | Move the atom at index 24 by [-2.858 0.523 0.664] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... |
MoveAtomAction | 06c995f5-c689-4061-9675-33ff0c445c47 | mp-1188929 | Move the atom at index 2 by [-4.505 0.697 1.213] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... |
MoveAtomAction | 35b99af0-7a49-4638-a839-ecfb1b692033 | mp-752456 | Move the atom at index 6 by [-1.097 -3.83 -0.56 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4O2F6
_chemical_formula_sum "Fe4 O2 F6"
_cell_length_a 3.105808
_cell_length_b 4.851217
_cell_length_c 9.688965
_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 Fe4O2F6
_chemical_formula_sum "Fe4 O2 F6"
_cell_length_a 3.105808
_cell_length_b 4.851217
_cell_length_c 9.688965
_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 | a6561696-08c9-4afc-9a91-55a70c453ec9 | mp-573815 | Move the atom at index 10 by [ 0.913 4.506 -0.871] angstrom in the cif file. | data_image0
_chemical_formula_structural Re6I18
_chemical_formula_sum "Re6 I18"
_cell_length_a 9.08663881
_cell_length_b 9.82904721
_cell_length_c 11.38253715
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.68012977
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Re6I18
_chemical_formula_sum "Re6 I18"
_cell_length_a 9.08663881
_cell_length_b 9.82904721
_cell_length_c 11.38253715
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.68012977
_space_group_name_H-M_alt "P 1"
_s... |
MoveAtomAction | d0cdee72-2d8d-4662-bfa2-767c4eb158b5 | mp-568136 | Move the atom at index 9 by [-0.199 -0.953 0.291] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... |
MoveAtomAction | 39e27965-e80e-48de-bd4f-309ced398072 | mp-1217691 | Move the atom at index 1 by [-3.06 0.868 -1.273] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... | data_image0
_chemical_formula_structural Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... |
MoveAtomAction | 33971b7f-b8c7-42a5-a934-fbf22441b2ad | mp-1226415 | Move the atom at index 17 by [ 1.229 -0.806 0.996] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... |
MoveAtomAction | d81c3eeb-cad6-462d-a559-9216e3ef4de5 | mp-1336298 | Move the atom at index 13 by [ 2.781 -3.522 2.47 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... |
MoveAtomAction | fe73d3e3-066a-4e74-adcd-a82fc5d71794 | mp-759254 | Move the atom at index 66 by [ 2.705 -0.331 -3.741] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... |
MoveAtomAction | 79f45b7d-ab1f-4651-9bad-21e1818e9e8c | mp-1643079 | Move the atom at index 22 by [-0.35 -1.037 -0.497] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 4.606584
_cell_length_b 5.690833
_cell_length_c 8.710385
_cell_angle_alpha 90.00049817
_cell_angle_beta 89.99997441
_cell_angle_gamma 89.99995499
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 4.606584
_cell_length_b 5.690833
_cell_length_c 8.710385
_cell_angle_alpha 90.00049817
_cell_angle_beta 89.99997441
_cell_angle_gamma 89.99995499
_space_group_name_H-M... |
MoveAtomAction | af4b671e-510a-452e-a107-5bff61f277f7 | mp-779298 | Move the atom at index 16 by [-0.44 2.379 -1.139] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... |
MoveAtomAction | f31b66b6-b55c-40eb-8108-b6b385179902 | mp-1200095 | Move the atom at index 24 by [ 2.728 -2.315 0.652] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... |
MoveAtomAction | 7d2e6dcd-ffaf-4070-b6fc-df00b419ac98 | mp-569862 | Move the atom at index 28 by [1.998 0.086 2.103] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... |
MoveAtomAction | d6256427-3c30-4a86-bc3d-e59834632ac7 | mp-1191974 | Move the atom at index 15 by [-1.979 -1.064 -1.527] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Ge2P4O16
_chemical_formula_sum "Ca2 Ge2 P4 O16"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_group_... | data_image0
_chemical_formula_structural Ca2Ge2P4O16
_chemical_formula_sum "Ca2 Ge2 P4 O16"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_group_... |
MoveAtomAction | fa02be80-73a6-48ec-abae-e0d62e3326cc | mp-1192809 | Move the atom at index 22 by [ 0.721 1.972 -2.642] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 | 68676b8d-6c1b-4410-a041-861e831ff3c9 | mp-779754 | Move the atom at index 54 by [-0.737 -0.641 -1.709] angstrom in the cif file. | data_image0
_chemical_formula_structural Na10Ni4As2C8O32
_chemical_formula_sum "Na10 Ni4 As2 C8 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.8... | data_image0
_chemical_formula_structural Na10Ni4As2C8O32
_chemical_formula_sum "Na10 Ni4 As2 C8 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.8... |
MoveAtomAction | 7decd4c6-7e90-497a-b24d-a2aa22799099 | mp-771953 | Move the atom at index 5 by [-1.735 1.721 -2.035] 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 | 5984080a-70b2-4673-a731-775d9392a588 | mp-1021352 | Move the atom at index 0 by [-2.871 -3.405 -1.808] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Ti2Nb2
_chemical_formula_sum "Mg12 Ti2 Nb2"
_cell_length_a 4.863481
_cell_length_b 6.094816
_cell_length_c 11.228815
_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 Mg12Ti2Nb2
_chemical_formula_sum "Mg12 Ti2 Nb2"
_cell_length_a 4.863481
_cell_length_b 6.094816
_cell_length_c 11.228815
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAtomAction | 0d1f5b5a-d81c-4117-9aa5-2ea7cf9c9469 | mp-616196 | Move the atom at index 8 by [ 1.546 -1.692 2.277] angstrom in the cif file. | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... |
MoveAtomAction | cc4fb6ca-b619-4c77-8061-548e13a23f0f | mp-757370 | Move the atom at index 35 by [-0.679 -0.539 0.343] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... |
MoveAtomAction | 860b7e0a-7bc1-427a-8fff-85d006fde2ea | mp-1177530 | Move the atom at index 23 by [-0.099 -2.789 2.098] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... |
MoveAtomAction | 8acf0f10-f4f9-4acd-82f3-829e5be1c6f2 | mp-1035975 | Move the atom at index 17 by [ 1.688 -3.115 1.76 ] angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 | 3ac3b0fe-3f65-4876-805b-1a36e3c7b9f7 | mp-38951 | Move the atom at index 9 by [ 0.813 -0.133 0.584] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Ga4O8
_chemical_formula_sum "Mg2 Ga4 O8"
_cell_length_a 5.85014315
_cell_length_b 5.850142989999999
_cell_length_c 5.9059647
_cell_angle_alpha 59.68385123000001
_cell_angle_beta 59.68384724
_cell_angle_gamma 59.68611803999999
_s... | data_image0
_chemical_formula_structural Mg2Ga4O8
_chemical_formula_sum "Mg2 Ga4 O8"
_cell_length_a 5.85014315
_cell_length_b 5.850142989999999
_cell_length_c 5.9059647
_cell_angle_alpha 59.68385123000001
_cell_angle_beta 59.68384724
_cell_angle_gamma 59.68611803999999
_s... |
MoveAtomAction | 3cc8c947-6cff-4d76-974d-104665f93841 | mp-2227841 | Move the atom at index 1 by [ 2.683 -0.995 2.681] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... |
MoveAtomAction | 0af270f9-1cdf-450b-950f-85ccea59a418 | mp-1235688 | Move the atom at index 10 by [-1.043 -1.266 -0.127] angstrom in the cif file. | data_image0
_chemical_formula_structural RbLiCu2H3S2O10
_chemical_formula_sum "Rb1 Li1 Cu2 H3 S2 O10"
_cell_length_a 5.93216975
_cell_length_b 5.92723735
_cell_length_c 7.79515509
_cell_angle_alpha 74.74008437
_cell_angle_beta 82.56761922
_cell_angle_gamma 118.980709840000... | data_image0
_chemical_formula_structural RbLiCu2H3S2O10
_chemical_formula_sum "Rb1 Li1 Cu2 H3 S2 O10"
_cell_length_a 5.93216975
_cell_length_b 5.92723735
_cell_length_c 7.79515509
_cell_angle_alpha 74.74008437
_cell_angle_beta 82.56761922
_cell_angle_gamma 118.980709840000... |
MoveAtomAction | 23041a79-5c9e-45d8-9d3c-1b4404efb72d | mp-1219272 | Move the atom at index 11 by [ 0.223 -0.378 1.195] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... |
MoveAtomAction | 4cba275d-3d35-49a5-8452-5cad0f836e2b | mp-22575 | Move the atom at index 16 by [ 2.357 1.376 -1.963] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | ab7e31e5-30e2-4237-acce-c98df5b30b28 | mp-1026581 | Move the atom at index 0 by [ 2.373 1.138 -2.625] angstrom in the cif file. | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... |
MoveAtomAction | 69988c09-2bce-4738-8c44-5f1b4f61a242 | mp-684816 | Move the atom at index 8 by [-2.836 1.86 -0.282] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Na2Nb2O4F8
_chemical_formula_sum "K4 Na2 Nb2 O4 F8"
_cell_length_a 6.078101
_cell_length_b 6.08342755
_cell_length_c 8.639495609999999
_cell_angle_alpha 89.814529
_cell_angle_beta 89.94245549000001
_cell_angle_gamma 89.97564418
_... | data_image0
_chemical_formula_structural K4Na2Nb2O4F8
_chemical_formula_sum "K4 Na2 Nb2 O4 F8"
_cell_length_a 6.078101
_cell_length_b 6.08342755
_cell_length_c 8.639495609999999
_cell_angle_alpha 89.814529
_cell_angle_beta 89.94245549000001
_cell_angle_gamma 89.97564418
_... |
MoveAtomAction | 09b53c7b-ec33-4316-9a0b-95d39fc159d7 | mp-1232221 | Move the atom at index 6 by [-1.358 -0.546 -0.251] angstrom in the cif file. | data_image0
_chemical_formula_structural Pm4Se8
_chemical_formula_sum "Pm4 Se8"
_cell_length_a 4.16700646
_cell_length_b 8.38218923
_cell_length_c 8.46326189
_cell_angle_alpha 89.80386038
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Pm4Se8
_chemical_formula_sum "Pm4 Se8"
_cell_length_a 4.16700646
_cell_length_b 8.38218923
_cell_length_c 8.46326189
_cell_angle_alpha 89.80386038
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | 7250ae77-3956-46bd-8339-cf056e7c220c | mp-1017477 | Move the atom at index 2 by [ 0.31 -1.339 -2.243] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 | dead2d6f-a673-433b-8d3c-36cd4839f53b | mp-753255 | Move the atom at index 18 by [-0.389 -2.994 -0.778] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe5O10
_chemical_formula_sum "Li8 Fe5 O10"
_cell_length_a 5.439789
_cell_length_b 6.7722361
_cell_length_c 8.02902207
_cell_angle_alpha 90.43750103999999
_cell_angle_beta 102.80415826
_cell_angle_gamma 113.38418846
_space_group_... | data_image0
_chemical_formula_structural Li8Fe5O10
_chemical_formula_sum "Li8 Fe5 O10"
_cell_length_a 5.439789
_cell_length_b 6.7722361
_cell_length_c 8.02902207
_cell_angle_alpha 90.43750103999999
_cell_angle_beta 102.80415826
_cell_angle_gamma 113.38418846
_space_group_... |
MoveAtomAction | 5f3800ac-af7f-42a6-92ec-250d389b2dcb | mp-1048964 | Move the atom at index 6 by [-2.352 -2.023 2.017] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Cr12O24
_chemical_formula_sum "Ca6 Cr12 O24"
_cell_length_a 6.23193746
_cell_length_b 6.23193746
_cell_length_c 15.366012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999427
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca6Cr12O24
_chemical_formula_sum "Ca6 Cr12 O24"
_cell_length_a 6.23193746
_cell_length_b 6.23193746
_cell_length_c 15.366012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999427
_space_group_name_H-M_alt "... |
MoveAtomAction | 2862129b-7800-4079-8ead-8c5bbac2169d | mp-2229308 | Move the atom at index 5 by [-1.456 -0.847 -0.432] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4MgV2Ag2S8
_chemical_formula_sum "Rb4 Mg1 V2 Ag2 S8"
_cell_length_a 5.87448564
_cell_length_b 7.112471019999999
_cell_length_c 13.97644637
_cell_angle_alpha 82.97004932999998
_cell_angle_beta 72.83283597
_cell_angle_gamma 65.57111... | data_image0
_chemical_formula_structural Rb4MgV2Ag2S8
_chemical_formula_sum "Rb4 Mg1 V2 Ag2 S8"
_cell_length_a 5.87448564
_cell_length_b 7.112471019999999
_cell_length_c 13.97644637
_cell_angle_alpha 82.97004932999998
_cell_angle_beta 72.83283597
_cell_angle_gamma 65.57111... |
MoveAtomAction | 2b84107f-d1af-44e7-927b-222a11d926a6 | mp-1029421 | Move the atom at index 10 by [-0.601 0.367 1.212] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2MoW3Se6
_chemical_formula_sum "Te2 Mo1 W3 Se6"
_cell_length_a 3.37792624
_cell_length_b 3.37792624
_cell_length_c 38.521538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000461000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2MoW3Se6
_chemical_formula_sum "Te2 Mo1 W3 Se6"
_cell_length_a 3.37792624
_cell_length_b 3.37792624
_cell_length_c 38.521538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000461000002
_space_group_name_H-M_... |
MoveAtomAction | 0ccff614-6653-4a2f-b43b-2ad77b0bdbfb | mp-1192830 | Move the atom at index 20 by [-0.678 1.16 0.311] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu6Mo4O20
_chemical_formula_sum "Cu6 Mo4 O20"
_cell_length_a 13.928992
_cell_length_b 5.539769
_cell_length_c 7.51960498
_cell_angle_alpha 47.58404186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cu6Mo4O20
_chemical_formula_sum "Cu6 Mo4 O20"
_cell_length_a 13.928992
_cell_length_b 5.539769
_cell_length_c 7.51960498
_cell_angle_alpha 47.58404186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | eba1b61a-a727-4a21-8a0f-230be5f85b88 | mp-558595 | Move the atom at index 8 by [-0.021 -4.545 1.552] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... |
MoveAtomAction | 66c4871d-7494-40b5-b9df-e5ad49bcf176 | mp-675770 | Move the atom at index 1 by [0.018 1.187 0.458] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd3U2O10
_chemical_formula_sum "Nd3 U2 O10"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860705999... | data_image0
_chemical_formula_structural Nd3U2O10
_chemical_formula_sum "Nd3 U2 O10"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860705999... |
MoveAtomAction | 6c31f589-48e1-4bd8-b92b-2852940bfd8a | mp-1041539 | Move the atom at index 1 by [ 0.795 0.743 -2.331] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Zn2O8
_chemical_formula_sum "Ti4 Zn2 O8"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_group_n... | data_image0
_chemical_formula_structural Ti4Zn2O8
_chemical_formula_sum "Ti4 Zn2 O8"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_group_n... |
MoveAtomAction | c8a2fe0e-824f-46b4-8f3b-89f7d02ef9a2 | mp-770874 | Move the atom at index 0 by [ 3.484 0.055 -2.975] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
MoveAtomAction | 7ae3e6a0-1309-4e68-b9e2-4bce59f4a140 | mp-1252807 | Move the atom at index 20 by [ 0.565 -2.056 -0.035] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Al2Ga2Co4O14
_chemical_formula_sum "Sr4 Al2 Ga2 Co4 O14"
_cell_length_a 5.43339978
_cell_length_b 5.63672228
_cell_length_c 11.76159832
_cell_angle_alpha 103.73141681999999
_cell_angle_beta 103.37081140999999
_cell_angle_gamma 90... | data_image0
_chemical_formula_structural Sr4Al2Ga2Co4O14
_chemical_formula_sum "Sr4 Al2 Ga2 Co4 O14"
_cell_length_a 5.43339978
_cell_length_b 5.63672228
_cell_length_c 11.76159832
_cell_angle_alpha 103.73141681999999
_cell_angle_beta 103.37081140999999
_cell_angle_gamma 90... |
MoveAtomAction | 2cfdc13e-981c-466a-8447-bff74e0885ba | mp-752963 | Move the atom at index 12 by [-2.377 -1.401 -0.843] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti3Ni3O12
_chemical_formula_sum "Li4 Ti3 Ni3 O12"
_cell_length_a 5.21179628
_cell_length_b 7.62971581
_cell_length_c 5.56986462
_cell_angle_alpha 68.58211896
_cell_angle_beta 89.97362202
_cell_angle_gamma 95.94842560000001
_spac... | data_image0
_chemical_formula_structural Li4Ti3Ni3O12
_chemical_formula_sum "Li4 Ti3 Ni3 O12"
_cell_length_a 5.21179628
_cell_length_b 7.62971581
_cell_length_c 5.56986462
_cell_angle_alpha 68.58211896
_cell_angle_beta 89.97362202
_cell_angle_gamma 95.94842560000001
_spac... |
MoveAtomAction | 834a1a03-a0e9-4fd4-b9a8-d44077988df3 | mp-760650 | Move the atom at index 15 by [-0.662 -2.783 -1.248] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Bi2P4O16
_chemical_formula_sum "Li6 Bi2 P4 O16"
_cell_length_a 5.20425907
_cell_length_b 5.20425907
_cell_length_c 15.14421391
_cell_angle_alpha 83.44138098
_cell_angle_beta 83.44138098
_cell_angle_gamma 54.37259545
_space_group... | data_image0
_chemical_formula_structural Li6Bi2P4O16
_chemical_formula_sum "Li6 Bi2 P4 O16"
_cell_length_a 5.20425907
_cell_length_b 5.20425907
_cell_length_c 15.14421391
_cell_angle_alpha 83.44138098
_cell_angle_beta 83.44138098
_cell_angle_gamma 54.37259545
_space_group... |
MoveAtomAction | 04366723-4e8d-4aa8-8225-361519ff9093 | mp-1520689 | Move the atom at index 10 by [-2.002 0.063 3.087] angstrom in the cif file. | data_image0
_chemical_formula_structural BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_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 BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 3bcd6bfe-fec6-432f-9891-4de3c1d0b530 | mp-753442 | Move the atom at index 22 by [1.453 1.262 4.622] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Co4O16
_chemical_formula_sum "Cr4 Co4 O16"
_cell_length_a 4.951287
_cell_length_b 6.083637
_cell_length_c 10.46366
_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 Cr4Co4O16
_chemical_formula_sum "Cr4 Co4 O16"
_cell_length_a 4.951287
_cell_length_b 6.083637
_cell_length_c 10.46366
_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 | 7d9a1fd9-6056-434b-ac10-8ee2b420385d | mp-1218036 | Move the atom at index 0 by [ 2.163 -1.181 1.528] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... |
MoveAtomAction | 6037839c-cfca-4918-93cd-358d5046c2cf | mp-696656 | Move the atom at index 2 by [ 0.833 -1.836 0.336] angstrom in the cif file. | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 9d0b0e0b-b235-4225-a893-019aaeff5a36 | mp-1224390 | Move the atom at index 0 by [2.481 2.141 1.627] angstrom in the cif file. | data_image0
_chemical_formula_structural HfAu9
_chemical_formula_sum "Hf1 Au9"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural HfAu9
_chemical_formula_sum "Hf1 Au9"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_alt ... |
MoveAtomAction | 61976d2f-1502-4d1a-88aa-9cf6307cc8c9 | mp-1036209 | Move the atom at index 30 by [-4.169 -2.341 2.725] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_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 Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_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 | 1af11c55-cda4-4058-9a3a-14fc65aa9ade | mp-1023294 | Move the atom at index 12 by [ 1.056 0.384 -1.105] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Al2Mo2
_chemical_formula_sum "Mg12 Al2 Mo2"
_cell_length_a 4.818345
_cell_length_b 6.156911
_cell_length_c 10.642447
_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 Mg12Al2Mo2
_chemical_formula_sum "Mg12 Al2 Mo2"
_cell_length_a 4.818345
_cell_length_b 6.156911
_cell_length_c 10.642447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAtomAction | f489bb8d-4d1b-4e0b-8a0f-506a31bd5455 | mp-1411095 | Move the atom at index 8 by [ 1.217 2.421 -2.254] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2V4O10
_chemical_formula_sum "Mg2 V4 O10"
_cell_length_a 3.430803
_cell_length_b 4.901301
_cell_length_c 11.601949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Mg2V4O10
_chemical_formula_sum "Mg2 V4 O10"
_cell_length_a 3.430803
_cell_length_b 4.901301
_cell_length_c 11.601949
_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... |
MoveAtomAction | b7163387-8aa2-417e-887c-ff9d2e3f2fb7 | mp-1179989 | Move the atom at index 1 by [-3.49 0.882 -1.024] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... |
MoveAtomAction | 9d0738a2-4878-4373-9174-51002ca66c3d | mp-1106066 | Move the atom at index 16 by [1.545 1.245 1.929] angstrom in the cif file. | data_image0
_chemical_formula_structural LaSb12Os4
_chemical_formula_sum "La1 Sb12 Os4"
_cell_length_a 8.11137695
_cell_length_b 8.11136872
_cell_length_c 8.11137401
_cell_angle_alpha 109.47122651999997
_cell_angle_beta 109.47125878999998
_cell_angle_gamma 109.47122363
_s... | data_image0
_chemical_formula_structural LaSb12Os4
_chemical_formula_sum "La1 Sb12 Os4"
_cell_length_a 8.11137695
_cell_length_b 8.11136872
_cell_length_c 8.11137401
_cell_angle_alpha 109.47122651999997
_cell_angle_beta 109.47125878999998
_cell_angle_gamma 109.47122363
_s... |
MoveAtomAction | 67992be4-89d0-4176-9f36-da34450e7a30 | mp-975336 | Move the atom at index 1 by [-3.202 -0.108 -0.072] angstrom in the cif file. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 | e53d22f1-f8e4-4452-8059-1a93f173f01f | mp-624221 | Move the atom at index 11 by [-0.456 1.17 0.558] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... |
MoveAtomAction | ab78c772-32fd-4aee-885f-6ad7805c28e0 | mp-662499 | Move the atom at index 28 by [-1.621 -3.424 1.245] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6Mg6Cl18
_chemical_formula_sum "Rb6 Mg6 Cl18"
_cell_length_a 7.09519963
_cell_length_b 7.09519975
_cell_length_c 17.608760289999996
_cell_angle_alpha 89.99999958
_cell_angle_beta 89.99999952
_cell_angle_gamma 119.99928184000001
_... | data_image0
_chemical_formula_structural Rb6Mg6Cl18
_chemical_formula_sum "Rb6 Mg6 Cl18"
_cell_length_a 7.09519963
_cell_length_b 7.09519975
_cell_length_c 17.608760289999996
_cell_angle_alpha 89.99999958
_cell_angle_beta 89.99999952
_cell_angle_gamma 119.99928184000001
_... |
MoveAtomAction | 3fe93540-f573-4f7e-9689-89b3a5f2487f | mp-757606 | Move the atom at index 0 by [ 3.473 3.174 -1.212] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... |
MoveAtomAction | b78e30f4-dac6-4c80-91d5-1cb07febbab9 | mp-1102836 | Move the atom at index 0 by [-0.937 -0.233 -0.571] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4Ir4S4
_chemical_formula_sum "Bi4 Ir4 S4"
_cell_length_a 6.219056
_cell_length_b 6.219056
_cell_length_c 6.219056
_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 Bi4Ir4S4
_chemical_formula_sum "Bi4 Ir4 S4"
_cell_length_a 6.219056
_cell_length_b 6.219056
_cell_length_c 6.219056
_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 | e36e4e5f-4d9e-40c9-9a57-6f201df4455d | mp-1188838 | Move the atom at index 15 by [0.221 2.861 1.735] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2P2H4O8
_chemical_formula_sum "Cs2 P2 H4 O8"
_cell_length_a 4.94896353
_cell_length_b 6.589359
_cell_length_c 8.03895871
_cell_angle_alpha 90.0
_cell_angle_beta 107.81996615
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cs2P2H4O8
_chemical_formula_sum "Cs2 P2 H4 O8"
_cell_length_a 4.94896353
_cell_length_b 6.589359
_cell_length_c 8.03895871
_cell_angle_alpha 90.0
_cell_angle_beta 107.81996615
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 91be1328-a0d8-42a1-8414-c897adf79d4f | mp-28092 | Move the atom at index 49 by [-4.33 -0.618 3.644] angstrom in the cif file. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... |
MoveAtomAction | d21ab9b2-cdc1-40e4-9703-a3969801e639 | mp-2229854 | Move the atom at index 2 by [-4.013 -2.283 5.376] angstrom in the cif file. | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... |
MoveAtomAction | 0486014e-d3b4-4f7c-a29f-69c69fcc4f4b | mp-1200769 | Move the atom at index 11 by [2.319 3.217 3.873] angstrom in the cif file. | 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 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... |
MoveAtomAction | e1606311-a8b0-4cf1-aae2-9fa9b5e4b1d3 | mp-1245678 | Move the atom at index 27 by [ 0.946 -1.556 -3.037] angstrom in the cif file. | data_image0
_chemical_formula_structural Y16Al16N32
_chemical_formula_sum "Y16 Al16 N32"
_cell_length_a 5.117963
_cell_length_b 10.130638
_cell_length_c 16.120956
_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 Y16Al16N32
_chemical_formula_sum "Y16 Al16 N32"
_cell_length_a 5.117963
_cell_length_b 10.130638
_cell_length_c 16.120956
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveAtomAction | cdb25c0e-62c7-4664-a846-248123fb2c8d | mp-754770 | Move the atom at index 11 by [-0.117 -0.199 -1.424] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4F12
_chemical_formula_sum "Li4 Mn4 F12"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Li4Mn4F12
_chemical_formula_sum "Li4 Mn4 F12"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | baccc893-0c59-4a6f-8b85-1a22520d5c72 | mp-1225843 | Move the atom at index 52 by [ 1.264 -0.4 -1.814] angstrom in the cif file. | data_image0
_chemical_formula_structural K6Te3H32O28
_chemical_formula_sum "K6 Te3 H32 O28"
_cell_length_a 8.16066967
_cell_length_b 9.343131350000002
_cell_length_c 10.28043837
_cell_angle_alpha 101.91143083
_cell_angle_beta 106.78901273
_cell_angle_gamma 95.86402284
_sp... | data_image0
_chemical_formula_structural K6Te3H32O28
_chemical_formula_sum "K6 Te3 H32 O28"
_cell_length_a 8.16066967
_cell_length_b 9.343131350000002
_cell_length_c 10.28043837
_cell_angle_alpha 101.91143083
_cell_angle_beta 106.78901273
_cell_angle_gamma 95.86402284
_sp... |
MoveAtomAction | a9f18817-0b02-40bb-92ae-2c4d538c3dc9 | mp-774653 | Move the atom at index 25 by [ 2.479 -0.872 0.643] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cu2Sn3O16
_chemical_formula_sum "Li4 Mn3 Cu2 Sn3 O16"
_cell_length_a 6.08433247
_cell_length_b 6.10424729
_cell_length_c 9.81937428
_cell_angle_alpha 89.99063356
_cell_angle_beta 87.51752301
_cell_angle_gamma 120.1096729200000... | data_image0
_chemical_formula_structural Li4Mn3Cu2Sn3O16
_chemical_formula_sum "Li4 Mn3 Cu2 Sn3 O16"
_cell_length_a 6.08433247
_cell_length_b 6.10424729
_cell_length_c 9.81937428
_cell_angle_alpha 89.99063356
_cell_angle_beta 87.51752301
_cell_angle_gamma 120.1096729200000... |
MoveAtomAction | 65a93aac-d565-40e2-a0ff-81f0e1fd3e8f | mp-16623 | Move the atom at index 11 by [ 1.608 0.492 -0.422] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... |
MoveAtomAction | a30b2729-238d-4ece-8686-f28918d04f20 | mp-1191448 | Move the atom at index 4 by [1.088 3.728 1.953] angstrom in the cif file. | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... |
MoveAtomAction | 5f397c2a-8727-4062-9715-ee562278d3dd | mp-558801 | Move the atom at index 11 by [ 0.833 -2.158 -2.314] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Pr8Cl18O4
_chemical_formula_sum "K4 Pr8 Cl18 O4"
_cell_length_a 11.496786
_cell_length_b 8.479488
_cell_length_c 9.59411548
_cell_angle_alpha 75.56137175
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K4Pr8Cl18O4
_chemical_formula_sum "K4 Pr8 Cl18 O4"
_cell_length_a 11.496786
_cell_length_b 8.479488
_cell_length_c 9.59411548
_cell_angle_alpha 75.56137175
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAtomAction | dd6d3fd8-8f12-44f8-bc09-7ecf04cf5563 | mp-1192120 | Move the atom at index 18 by [ 0.632 3.287 -1.43 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Si3N6F12
_chemical_formula_sum "Si3 N6 F12"
_cell_length_a 18.42231637
_cell_length_b 18.422316369999997
_cell_length_c 18.422316370000004
_cell_angle_alpha 163.13371695
_cell_angle_beta 163.00515556999994
_cell_angle_gamma 24.03236... | data_image0
_chemical_formula_structural Si3N6F12
_chemical_formula_sum "Si3 N6 F12"
_cell_length_a 18.42231637
_cell_length_b 18.422316369999997
_cell_length_c 18.422316370000004
_cell_angle_alpha 163.13371695
_cell_angle_beta 163.00515556999994
_cell_angle_gamma 24.03236... |
MoveAtomAction | 28dba3d0-b5ce-41f6-9320-25b397324f76 | mp-1216954 | Move the atom at index 16 by [0.749 2.752 1.176] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... |
MoveAtomAction | a4b2cdb6-72ca-4f83-bcbf-2b7855e8d4eb | mp-1204089 | Move the atom at index 53 by [0.148 0.802 2.396] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs6Li6U6P12S48
_chemical_formula_sum "Cs6 Li6 U6 P12 S48"
_cell_length_a 13.24006715
_cell_length_b 13.24006715
_cell_length_c 13.24006738
_cell_angle_alpha 72.46178374
_cell_angle_beta 72.46178374
_cell_angle_gamma 72.46178663
_sp... | data_image0
_chemical_formula_structural Cs6Li6U6P12S48
_chemical_formula_sum "Cs6 Li6 U6 P12 S48"
_cell_length_a 13.24006715
_cell_length_b 13.24006715
_cell_length_c 13.24006738
_cell_angle_alpha 72.46178374
_cell_angle_beta 72.46178374
_cell_angle_gamma 72.46178663
_sp... |
MoveAtomAction | 884d6c44-7193-49b9-85bf-c0cb7c9c5180 | mp-1193266 | Move the atom at index 20 by [2.244 1.393 6.1 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... |
MoveAtomAction | 1a175613-8e72-4f06-be91-0983dce0dd9f | mp-2228948 | Move the atom at index 10 by [-0.924 0.967 1.248] angstrom in the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... |
MoveAtomAction | 74dd0c14-4f41-4bff-aa5e-594215889fad | mp-1213259 | Move the atom at index 30 by [-0.917 -1.606 -0.716] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... |
MoveAtomAction | 4c031da5-052e-43b8-87b9-99f6d78aacd0 | mp-1028199 | Move the atom at index 0 by [ 1.227 -1.509 2.706] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14AlZn
_chemical_formula_sum "Mg14 Al1 Zn1"
_cell_length_a 6.27904535
_cell_length_b 6.27904485
_cell_length_c 10.29947357
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000258
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14AlZn
_chemical_formula_sum "Mg14 Al1 Zn1"
_cell_length_a 6.27904535
_cell_length_b 6.27904485
_cell_length_c 10.29947357
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000258
_space_group_name_H-M_alt "... |
MoveAtomAction | 93b911db-312b-49bd-91f6-d6103afaad81 | mp-1202393 | Move the atom at index 39 by [ 1.621 -0.074 1.012] angstrom in the cif file. | data_image0
_chemical_formula_structural U2Al8B6O28
_chemical_formula_sum "U2 Al8 B6 O28"
_cell_length_a 5.650549
_cell_length_b 9.654149
_cell_length_c 10.684810300000002
_cell_angle_alpha 67.18471549000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural U2Al8B6O28
_chemical_formula_sum "U2 Al8 B6 O28"
_cell_length_a 5.650549
_cell_length_b 9.654149
_cell_length_c 10.684810300000002
_cell_angle_alpha 67.18471549000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
MoveAtomAction | ffcc1b42-b1e4-4972-abb0-bb927e6a09f0 | mp-1174755 | Move the atom at index 1 by [ 0.947 -0.083 -0.741] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... |
MoveAtomAction | e5d8c9ce-b193-45ff-a9b1-f6bbea4ec0cc | mp-1520190 | Move the atom at index 7 by [ 0.289 -2.039 -0.162] angstrom in the cif file. | data_image0
_chemical_formula_structural BaCeInSbO6
_chemical_formula_sum "Ba1 Ce1 In1 Sb1 O6"
_cell_length_a 6.0540516
_cell_length_b 6.0540516
_cell_length_c 6.0540516
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural BaCeInSbO6
_chemical_formula_sum "Ba1 Ce1 In1 Sb1 O6"
_cell_length_a 6.0540516
_cell_length_b 6.0540516
_cell_length_c 6.0540516
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
MoveAtomAction | 0613c579-592d-496f-9b0d-bb29129b7b9b | mp-630329 | Move the atom at index 26 by [ 0.882 -3.144 -0.424] angstrom in the cif file. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
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