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 | f5911bf7-4767-4969-a83d-403c107fe14f | mp-1038196 | Move the atom at index 44 by [ 0.6 -0.665 -3.937] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg30NbAlO32
_chemical_formula_sum "Mg30 Nb1 Al1 O32"
_cell_length_a 8.580637
_cell_length_b 8.580637
_cell_length_c 8.583799
_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 Mg30NbAlO32
_chemical_formula_sum "Mg30 Nb1 Al1 O32"
_cell_length_a 8.580637
_cell_length_b 8.580637
_cell_length_c 8.583799
_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 | 75cf3e21-867f-4d4e-80c7-bee61acd44e6 | mp-1188929 | Move the atom at index 19 by [ 2.046 3.837 -0.753] 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 | 471dbd5c-e2b3-4b7a-b5e6-48cef2706932 | mp-979979 | Move the atom at index 17 by [ 0.435 0.745 -2.864] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm6Sb8Au6
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_group_na... | data_image0
_chemical_formula_structural Sm6Sb8Au6
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_group_na... |
MoveAtomAction | be9d3428-55ce-428d-9f4a-f0cdc623c402 | mp-757411 | Move the atom at index 21 by [-2.27 -1.437 1.235] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... |
MoveAtomAction | 511fe5d2-c3a1-4d58-bcd4-7721fb80262d | mp-2227274 | Move the atom at index 6 by [0.224 0.007 4.181] angstrom in the cif file. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... |
MoveAtomAction | 3a59e1fc-4130-4b1a-80e4-f23de2d34a4e | mp-558525 | Move the atom at index 68 by [-5.508 -3.199 2.425] angstrom in the cif file. | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveAtomAction | 6c8f02b1-7516-47a4-9283-1cdcb7573d07 | mp-2503 | Move the atom at index 10 by [ 9.382 -0.244 -0.261] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... |
MoveAtomAction | 75582a41-c67c-444a-a386-fc3c116bf4f2 | mp-1213264 | Move the atom at index 8 by [ 0.745 -1.231 1.281] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Nd2Te8
_chemical_formula_sum "Cs2 Nd2 Te8"
_cell_length_a 8.09809799
_cell_length_b 8.09809799
_cell_length_c 12.352567
_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 Cs2Nd2Te8
_chemical_formula_sum "Cs2 Nd2 Te8"
_cell_length_a 8.09809799
_cell_length_b 8.09809799
_cell_length_c 12.352567
_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 | d3546ed3-ba04-4575-bf3e-a50aa63ceca5 | mp-771174 | Move the atom at index 15 by [-1.036 -0.394 -0.148] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 43270e7d-6725-4b1c-93c0-7870398f2890 | mp-1175691 | Move the atom at index 24 by [ 0.401 -0.285 1.043] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... |
MoveAtomAction | 85f3e8d7-b106-4408-b23b-e83f1f4c215a | mp-1029037 | Move the atom at index 5 by [ 0.946 3.701 -1.879] angstrom in the cif file. | data_image0
_chemical_formula_structural MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... |
MoveAtomAction | 01c38d99-df9d-4b26-b28b-13270827f81c | mp-2215121 | Move the atom at index 7 by [-0.381 -0.27 0.616] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... |
MoveAtomAction | e01d35d9-436c-4c1d-a137-42ecc6bb5175 | mp-704542 | Move the atom at index 60 by [0.382 1.802 0.714] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveAtomAction | e44f81f1-2070-45f8-b248-a2786ed88406 | mp-1208448 | Move the atom at index 15 by [ 1.504 -4.507 -0.526] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... |
MoveAtomAction | a69bb31f-293a-45bf-bdf9-acf9daa70d0f | mp-1567262 | Move the atom at index 12 by [-0.721 -0.334 -1.34 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... |
MoveAtomAction | 136ac7c0-21cb-413b-b6d6-3949ca192823 | mp-1176984 | Move the atom at index 49 by [-0.062 2.283 -2.173] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... |
MoveAtomAction | 8de59d95-e2a2-4628-8043-49ed258d45d9 | mp-1209476 | Move the atom at index 39 by [ 0.181 -1.346 -0.187] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Fe8S12O48
_chemical_formula_sum "Rb8 Fe8 S12 O48"
_cell_length_a 10.261897
_cell_length_b 10.261897
_cell_length_c 10.261897
_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 Rb8Fe8S12O48
_chemical_formula_sum "Rb8 Fe8 S12 O48"
_cell_length_a 10.261897
_cell_length_b 10.261897
_cell_length_c 10.261897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 40669f53-9463-4b6b-bd0f-0344c34df464 | mp-1196193 | Move the atom at index 47 by [ 2.626 -0.633 -0.734] angstrom in the cif file. | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... |
MoveAtomAction | b81daea9-878d-4598-9e06-eecdd07e82aa | mp-1036452 | Move the atom at index 25 by [3.221 2.422 2.452] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_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 Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_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 | 30885625-c725-4aac-a282-b3a83906d1cb | mp-541221 | Move the atom at index 32 by [2.666 3.427 2.242] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... |
MoveAtomAction | 808bf13e-72ad-42f7-92f1-2a1d54fcc4bb | mp-1223651 | Move the atom at index 12 by [ 1.457 -0.428 1.115] angstrom in the cif file. | data_image0
_chemical_formula_structural La20Os12C13
_chemical_formula_sum "La20 Os12 C13"
_cell_length_a 15.968332
_cell_length_b 6.805853
_cell_length_c 9.18086384
_cell_angle_alpha 89.93005953000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La20Os12C13
_chemical_formula_sum "La20 Os12 C13"
_cell_length_a 15.968332
_cell_length_b 6.805853
_cell_length_c 9.18086384
_cell_angle_alpha 89.93005953000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 18afa24f-c2c5-4f57-ac0f-9fc078537346 | mp-1175183 | Move the atom at index 3 by [-0.444 -0.198 1.048] angstrom in the cif file. | data_image0
_chemical_formula_structural Li14Mn8Co2O24
_chemical_formula_sum "Li14 Mn8 Co2 O24"
_cell_length_a 5.93090731
_cell_length_b 10.368841130000002
_cell_length_c 8.0209691
_cell_angle_alpha 110.1693237
_cell_angle_beta 75.24929671
_cell_angle_gamma 82.801730890000... | data_image0
_chemical_formula_structural Li14Mn8Co2O24
_chemical_formula_sum "Li14 Mn8 Co2 O24"
_cell_length_a 5.93090731
_cell_length_b 10.368841130000002
_cell_length_c 8.0209691
_cell_angle_alpha 110.1693237
_cell_angle_beta 75.24929671
_cell_angle_gamma 82.801730890000... |
MoveAtomAction | 84d599b6-f3eb-46ad-bbe2-f5b414943781 | mp-678 | Move the atom at index 41 by [-1.892 0.179 -2.808] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... |
MoveAtomAction | af4e6a4e-1802-41ea-ba50-21d340c41fed | mp-1374432 | Move the atom at index 25 by [-1.864 2.587 -1.907] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Ni4As4O20
_chemical_formula_sum "Mg4 Ni4 As4 O20"
_cell_length_a 5.80487
_cell_length_b 7.48795
_cell_length_c 8.385389
_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 Mg4Ni4As4O20
_chemical_formula_sum "Mg4 Ni4 As4 O20"
_cell_length_a 5.80487
_cell_length_b 7.48795
_cell_length_c 8.385389
_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 | 0c69f4c7-5a42-4f5a-9e26-3d0d4c3a8e96 | mp-1175476 | Move the atom at index 6 by [-1.51 0.701 -1.573] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.98362
_cell_length_b 9.74424399
_cell_length_c 10.11371034
_cell_angle_alpha 77.44947545
_cell_angle_beta 89.18801387
_cell_angle_gamma 88.67283281
_space_group_name_H-... | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.98362
_cell_length_b 9.74424399
_cell_length_c 10.11371034
_cell_angle_alpha 77.44947545
_cell_angle_beta 89.18801387
_cell_angle_gamma 88.67283281
_space_group_name_H-... |
MoveAtomAction | 22b9aeb6-4fc0-4926-a965-83179e6f68e9 | mp-1043960 | Move the atom at index 41 by [0.42 0.236 2.59 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 681d02b9-2927-40a7-889f-71d2a3d4c63f | mp-2223123 | Move the atom at index 5 by [-0.093 -1.316 1.45 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... |
MoveAtomAction | c2ef9fbf-f32d-49f8-97c9-9646d57f7e80 | mp-1246526 | Move the atom at index 17 by [ 1.36 -1.881 -2.73 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... |
MoveAtomAction | cf7b47fa-2afd-47d2-9076-b4d68c6c979e | mp-684709 | Move the atom at index 6 by [-0.018 0.018 -2.011] angstrom in the cif file. | data_image0
_chemical_formula_structural K6B34
_chemical_formula_sum "K6 B34"
_cell_length_a 13.30794988
_cell_length_b 13.30794988
_cell_length_c 13.307949880000002
_cell_angle_alpha 153.92748815
_cell_angle_beta 153.92748815
_cell_angle_gamma 37.20500753999999
_space_gr... | data_image0
_chemical_formula_structural K6B34
_chemical_formula_sum "K6 B34"
_cell_length_a 13.30794988
_cell_length_b 13.30794988
_cell_length_c 13.307949880000002
_cell_angle_alpha 153.92748815
_cell_angle_beta 153.92748815
_cell_angle_gamma 37.20500753999999
_space_gr... |
MoveAtomAction | 3f0afcbb-dcf1-4540-93d1-3f36e45888bb | mp-1026735 | Move the atom at index 7 by [1.69 0.744 1.63 ] angstrom in the cif file. | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... |
MoveAtomAction | efe6d5c8-2f5b-4af8-9dcd-5fa4f9f9c3ed | mp-18112 | Move the atom at index 16 by [0.168 0.217 0.816] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Ge8Se20
_chemical_formula_sum "Sr8 Ge8 Se20"
_cell_length_a 12.39348995
_cell_length_b 8.52535437
_cell_length_c 12.20324559
_cell_angle_alpha 49.38111077999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr8Ge8Se20
_chemical_formula_sum "Sr8 Ge8 Se20"
_cell_length_a 12.39348995
_cell_length_b 8.52535437
_cell_length_c 12.20324559
_cell_angle_alpha 49.38111077999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | 3b8aecce-0ff9-4b48-9d8e-6793d263cc8c | mp-1110899 | Move the atom at index 6 by [-1.217 1.917 -0.523] angstrom in the cif file. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
MoveAtomAction | 921d5cef-5d75-49d8-9006-5e3b84f534f9 | mp-559286 | Move the atom at index 23 by [-2.703 -0.388 0.361] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAtomAction | 6d4025b8-7c60-42fa-901e-c1fcf193ad83 | mp-13456 | Move the atom at index 2 by [-0.573 0.465 1.831] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn5S5
_chemical_formula_sum "Zn5 S5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.9084016399999... | data_image0
_chemical_formula_structural Zn5S5
_chemical_formula_sum "Zn5 S5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.9084016399999... |
MoveAtomAction | 5c000718-2567-48e8-a820-988cd7c59c84 | mp-778743 | Move the atom at index 2 by [ 1.804 2.213 -2.246] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 6.154576
_cell_length_b 5.383631
_cell_length_c 9.98142734
_cell_angle_alpha 89.89632549
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 6.154576
_cell_length_b 5.383631
_cell_length_c 9.98142734
_cell_angle_alpha 89.89632549
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | acc550ce-6838-4328-8660-164ec61aa9f5 | mp-11321 | Move the atom at index 21 by [-1.84 0.504 2.819] angstrom in the cif file. | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... |
MoveAtomAction | b910e6c0-a3eb-46e2-b706-750333f76924 | mp-36383 | Move the atom at index 8 by [-0.441 -2.362 -0.281] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag3P2O8
_chemical_formula_sum "Ag3 P2 O8"
_cell_length_a 5.77171001
_cell_length_b 5.77170928
_cell_length_c 5.77171041
_cell_angle_alpha 83.23631156000002
_cell_angle_beta 83.23630576999999
_cell_angle_gamma 83.23629968
_space_gro... | data_image0
_chemical_formula_structural Ag3P2O8
_chemical_formula_sum "Ag3 P2 O8"
_cell_length_a 5.77171001
_cell_length_b 5.77170928
_cell_length_c 5.77171041
_cell_angle_alpha 83.23631156000002
_cell_angle_beta 83.23630576999999
_cell_angle_gamma 83.23629968
_space_gro... |
MoveAtomAction | df082a6a-6da9-4504-8d13-12b9f67289f3 | mp-1218449 | Move the atom at index 21 by [ 5.065 0.661 -0.763] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... |
MoveAtomAction | eba17446-e589-43ae-8003-d3e966e0c0e9 | mp-1246897 | Move the atom at index 9 by [-0.439 -2.623 -4.556] angstrom in the cif file. | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... |
MoveAtomAction | a04cd6ad-4d2c-4513-ae0e-5c191529fe0b | mp-1522056 | Move the atom at index 6 by [ 2.728 2.166 -2.685] angstrom in the cif file. | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... |
MoveAtomAction | a67ea10f-161c-4272-8521-4d8615503862 | mp-777349 | Move the atom at index 11 by [ 1.688 -2.655 0.264] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... |
MoveAtomAction | d99a0c58-eafa-42af-ae4d-f80000536098 | mp-694554 | Move the atom at index 18 by [ 0.988 1.516 -1.309] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 9e19e48f-044b-4aa8-ba61-603bf703e0cd | mp-697807 | Move the atom at index 15 by [1.249 2.979 2.673] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... |
MoveAtomAction | 1e9c4114-cbb3-464d-9c30-56bb8cfb31a2 | mp-676665 | Move the atom at index 37 by [ 0.925 2.591 -0.518] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... |
MoveAtomAction | c4a3bb12-1e56-4c6b-8e8d-7e249d2ceffd | mp-2240405 | Move the atom at index 2 by [ 1.095 -1.945 1.448] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... |
MoveAtomAction | 4984b534-7178-4ccb-a948-3d7ec73c10f9 | mp-573073 | Move the atom at index 13 by [2.771 0.129 3.781] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
MoveAtomAction | 5c053481-e778-499f-87d0-f5ffd45512ad | mp-1217186 | Move the atom at index 15 by [ 1.073 -3.151 -0.017] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 6287e688-12c5-44fa-a33b-5c27022e2283 | mp-1033422 | Move the atom at index 1 by [-1.437 4.789 -1.248] angstrom in the cif file. | data_image0
_chemical_formula_structural BaMg6CO8
_chemical_formula_sum "Ba1 Mg6 C1 O8"
_cell_length_a 8.66532636
_cell_length_b 4.6564749
_cell_length_c 4.6564749
_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 BaMg6CO8
_chemical_formula_sum "Ba1 Mg6 C1 O8"
_cell_length_a 8.66532636
_cell_length_b 4.6564749
_cell_length_c 4.6564749
_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 | dc31fc46-5b6e-4edf-ace7-54a508236fe8 | mp-760055 | Move the atom at index 25 by [ 0.314 0.888 -2.615] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Mn3V3P6H6O30
_chemical_formula_sum "Li3 Mn3 V3 P6 H6 O30"
_cell_length_a 7.44397993
_cell_length_b 11.32063412
_cell_length_c 6.794345970000001
_cell_angle_alpha 73.04739999000002
_cell_angle_beta 88.85579793
_cell_angle_gamma 81... | data_image0
_chemical_formula_structural Li3Mn3V3P6H6O30
_chemical_formula_sum "Li3 Mn3 V3 P6 H6 O30"
_cell_length_a 7.44397993
_cell_length_b 11.32063412
_cell_length_c 6.794345970000001
_cell_angle_alpha 73.04739999000002
_cell_angle_beta 88.85579793
_cell_angle_gamma 81... |
MoveAtomAction | 77c9ed1e-7107-474f-a544-60dbb47c823c | mp-1174755 | Move the atom at index 3 by [-2.268 0.992 -2.104] 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 | f25b2c59-2164-4b6b-aaf1-fa0d3f768897 | mp-1213037 | Move the atom at index 7 by [-4.148 -3.035 -0.502] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_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 K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_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 | e9f56e15-05ea-42e2-a003-fccede09c384 | mp-2241517 | Move the atom at index 12 by [ 1.16 -0.389 0.437] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTlV4O10
_chemical_formula_sum "Mg1 Tl1 V4 O10"
_cell_length_a 3.80973867
_cell_length_b 6.39254685
_cell_length_c 10.30154824
_cell_angle_alpha 99.21036911
_cell_angle_beta 90.08400635
_cell_angle_gamma 107.31590398
_space_group_... | data_image0
_chemical_formula_structural MgTlV4O10
_chemical_formula_sum "Mg1 Tl1 V4 O10"
_cell_length_a 3.80973867
_cell_length_b 6.39254685
_cell_length_c 10.30154824
_cell_angle_alpha 99.21036911
_cell_angle_beta 90.08400635
_cell_angle_gamma 107.31590398
_space_group_... |
MoveAtomAction | a2fcab76-7e6f-4092-9f83-d5b08d52a489 | mp-1200624 | Move the atom at index 10 by [ 0.848 -1.018 2.442] angstrom in the cif file. | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... |
MoveAtomAction | fdc45609-8374-49ce-93ac-b681d5219177 | mp-2240560 | Move the atom at index 2 by [-0.54 -0.337 -2.124] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... |
MoveAtomAction | 7fdc74ef-9464-43e5-8e75-030797fd20da | mp-1213576 | Move the atom at index 37 by [ 0.337 -1.197 -1.144] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... |
MoveAtomAction | 1e27c37d-36bb-45a1-b664-3107f0bddbea | mp-862656 | Move the atom at index 11 by [ 3.95 -0.016 -2.258] angstrom in the cif file. | data_image0
_chemical_formula_structural Er5Al15
_chemical_formula_sum "Er5 Al15"
_cell_length_a 12.36137364
_cell_length_b 12.36137364
_cell_length_c 12.36137266
_cell_angle_alpha 28.216417780000004
_cell_angle_beta 28.216417780000004
_cell_angle_gamma 28.21641792
_space... | data_image0
_chemical_formula_structural Er5Al15
_chemical_formula_sum "Er5 Al15"
_cell_length_a 12.36137364
_cell_length_b 12.36137364
_cell_length_c 12.36137266
_cell_angle_alpha 28.216417780000004
_cell_angle_beta 28.216417780000004
_cell_angle_gamma 28.21641792
_space... |
MoveAtomAction | 4180ca8a-18ef-4314-92cc-ea1af6e10466 | mp-1304002 | Move the atom at index 10 by [ 0.791 -1.324 2.44 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... |
MoveAtomAction | 85cf5e0b-f5cf-4151-a158-aee03b62b1b2 | mp-1520242 | Move the atom at index 7 by [ 2.803 -2.638 -1.265] angstrom in the cif file. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
MoveAtomAction | 8f9d1371-0989-45c4-be13-9e9037a4a7b4 | mp-1200098 | Move the atom at index 14 by [-2.427 -1.262 0.777] angstrom in the cif file. | data_image0
_chemical_formula_structural Ir4W4N20Cl4O16
_chemical_formula_sum "Ir4 W4 N20 Cl4 O16"
_cell_length_a 8.99499
_cell_length_b 9.214026
_cell_length_c 12.273695
_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 Ir4W4N20Cl4O16
_chemical_formula_sum "Ir4 W4 N20 Cl4 O16"
_cell_length_a 8.99499
_cell_length_b 9.214026
_cell_length_c 12.273695
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 72abfe5a-acfe-44dc-9186-fed17b1de8c9 | mp-23083 | Move the atom at index 0 by [ 3.14 1.181 -1.674] angstrom in the cif file. | data_image0
_chemical_formula_structural KAs4BrO6
_chemical_formula_sum "K1 As4 Br1 O6"
_cell_length_a 5.34714576
_cell_length_b 5.34714576
_cell_length_c 9.23111
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999706999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural KAs4BrO6
_chemical_formula_sum "K1 As4 Br1 O6"
_cell_length_a 5.34714576
_cell_length_b 5.34714576
_cell_length_c 9.23111
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999706999999
_space_group_name_H-M_alt ... |
MoveAtomAction | 6bb8b839-b334-4895-bed5-00975231711c | mp-753980 | Move the atom at index 6 by [-3.759 4.032 0.833] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... |
MoveAtomAction | 91787c4b-2c86-43c0-b2b3-e00cd663dde1 | mp-759181 | Move the atom at index 16 by [ 1.976 0.567 -0.96 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P12O36
_chemical_formula_sum "Li4 Mn4 P12 O36"
_cell_length_a 5.393716
_cell_length_b 10.304873
_cell_length_c 11.742108
_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 Li4Mn4P12O36
_chemical_formula_sum "Li4 Mn4 P12 O36"
_cell_length_a 5.393716
_cell_length_b 10.304873
_cell_length_c 11.742108
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 0e4f6fa5-bad7-4587-9b1b-733b9c1a3a32 | mp-1173106 | Move the atom at index 11 by [-2.64 0.124 -4.597] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb8Cu3Te16
_chemical_formula_sum "Tb8 Cu3 Te16"
_cell_length_a 12.54590591
_cell_length_b 9.86348697
_cell_length_c 8.132721389999999
_cell_angle_alpha 90.14494182
_cell_angle_beta 90.25875977
_cell_angle_gamma 50.522835230000005
_... | data_image0
_chemical_formula_structural Tb8Cu3Te16
_chemical_formula_sum "Tb8 Cu3 Te16"
_cell_length_a 12.54590591
_cell_length_b 9.86348697
_cell_length_c 8.132721389999999
_cell_angle_alpha 90.14494182
_cell_angle_beta 90.25875977
_cell_angle_gamma 50.522835230000005
_... |
MoveAtomAction | 77c4824e-d4ca-49bd-b89c-87e09284c106 | mp-1931800 | Move the atom at index 8 by [ 1.302 1.287 -0.268] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... |
MoveAtomAction | f6cc2906-09d1-4058-803e-37776a6438a1 | mp-680561 | Move the atom at index 19 by [1.983 1.199 0.568] angstrom in the cif file. | data_image0
_chemical_formula_structural U10Re6C16
_chemical_formula_sum "U10 Re6 C16"
_cell_length_a 11.40374963
_cell_length_b 11.40374963
_cell_length_c 3.28600681
_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 U10Re6C16
_chemical_formula_sum "U10 Re6 C16"
_cell_length_a 11.40374963
_cell_length_b 11.40374963
_cell_length_c 3.28600681
_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 | 9b09a493-5d2c-4a14-88c5-3ca872b6604e | mp-1233814 | Move the atom at index 10 by [ 0.456 -0.585 -0.953] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | b5995bdb-bdd3-42bd-bbdf-1c23ca3cbb5c | mp-758465 | Move the atom at index 21 by [ 4.253 0.394 -1.557] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | 66d92f47-5702-4339-84d4-7aff501d6b18 | mp-25285 | Move the atom at index 6 by [1.718 2.159 2.093] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | 733af1e5-4095-486b-ae12-b31c6578d6f6 | mp-1191005 | Move the atom at index 21 by [ 2.144 -0.374 1.544] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Br6O14
_chemical_formula_sum "La2 Br6 O14"
_cell_length_a 6.957924
_cell_length_b 7.62667087
_cell_length_c 7.97220483
_cell_angle_alpha 83.96742581
_cell_angle_beta 74.98027024000001
_cell_angle_gamma 89.21936135000001
_space_g... | data_image0
_chemical_formula_structural La2Br6O14
_chemical_formula_sum "La2 Br6 O14"
_cell_length_a 6.957924
_cell_length_b 7.62667087
_cell_length_c 7.97220483
_cell_angle_alpha 83.96742581
_cell_angle_beta 74.98027024000001
_cell_angle_gamma 89.21936135000001
_space_g... |
MoveAtomAction | afe9afbe-0f12-4775-885c-2f8ca2cd778e | mp-26228 | Move the atom at index 19 by [-1.445 1.129 -3.063] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... |
MoveAtomAction | a3771053-43e1-4517-b45c-bdd6013e800f | mp-626835 | Move the atom at index 8 by [ 2.41 -0.003 -1.884] angstrom in the cif file. | data_image0
_chemical_formula_structural H16Pt2O12
_chemical_formula_sum "H16 Pt2 O12"
_cell_length_a 5.611497
_cell_length_b 5.72181583
_cell_length_c 7.35410691
_cell_angle_alpha 87.23899783
_cell_angle_beta 88.42011408
_cell_angle_gamma 81.50605689
_space_group_name_H-... | data_image0
_chemical_formula_structural H16Pt2O12
_chemical_formula_sum "H16 Pt2 O12"
_cell_length_a 5.611497
_cell_length_b 5.72181583
_cell_length_c 7.35410691
_cell_angle_alpha 87.23899783
_cell_angle_beta 88.42011408
_cell_angle_gamma 81.50605689
_space_group_name_H-... |
MoveAtomAction | 8640d2bb-75f0-46bf-b2a0-bd1ce4aff159 | mp-1034441 | Move the atom at index 29 by [-2.462 -0.885 -1.078] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_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 Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 16e7191d-ea60-4ab9-a198-16728f3112dd | mp-1178408 | Move the atom at index 17 by [ 0.48 -1.429 0.919] 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 | 8210e194-5376-4ac0-9d59-387be87dc51b | mp-1207705 | Move the atom at index 13 by [0.138 1.684 0.558] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | ea68d7cd-722c-4f6c-86f4-dbec75e8ab09 | mp-1215346 | Move the atom at index 4 by [-3.185 -2.282 -3.124] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... |
MoveAtomAction | 7e0d2519-00f8-44ca-be57-6ed4e3c14e09 | mp-614981 | Move the atom at index 10 by [0.267 0.452 0.98 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_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 Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_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 | e0488f8d-b683-45c5-9af0-6b3b282efe99 | mp-1205450 | Move the atom at index 8 by [ 0.729 1.854 -1.668] angstrom in the cif file. | data_image0
_chemical_formula_structural Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_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 Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_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 | 0ec67ab6-2da0-4616-83e3-fcce9b1579de | mp-1106129 | Move the atom at index 8 by [ 6.759 -0.676 1.775] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_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 Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_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 | 7f9bafd3-9719-4fae-bcba-2b4565d8da43 | mp-625819 | Move the atom at index 23 by [0.16 0.667 1.139] angstrom in the cif file. | data_image0
_chemical_formula_structural H32N8O4
_chemical_formula_sum "H32 N8 O4"
_cell_length_a 9.055844
_cell_length_b 4.428801
_cell_length_c 10.73228277
_cell_angle_alpha 69.28359116
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural H32N8O4
_chemical_formula_sum "H32 N8 O4"
_cell_length_a 9.055844
_cell_length_b 4.428801
_cell_length_c 10.73228277
_cell_angle_alpha 69.28359116
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | cf9767ed-79c8-444b-9cbd-39edf9781341 | mp-30210 | Move the atom at index 0 by [ 4.078 -1.201 0.491] angstrom in the cif file. | data_image0
_chemical_formula_structural La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... | data_image0
_chemical_formula_structural La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... |
MoveAtomAction | 7b5a77e4-b7b4-4767-a694-ca716b2ff109 | mp-758053 | Move the atom at index 10 by [ 2.214 -1.569 -0.343] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... |
MoveAtomAction | 1dad4161-3d59-496f-aaa3-1bbf95c8974f | mp-630329 | Move the atom at index 29 by [-0.91 -3.473 1.854] 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... |
MoveAtomAction | fe5d415e-e842-4edb-b95c-42bec8082919 | mp-1110620 | Move the atom at index 7 by [-0.73 4.903 -0.662] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... |
MoveAtomAction | 17a01b79-08e4-4db4-953b-988b97b097c7 | mp-1206399 | Move the atom at index 8 by [ 3.292 0.164 -0.858] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... |
MoveAtomAction | 8f5631a9-72e3-4ec0-99c7-9031bc6a201c | mp-1212002 | Move the atom at index 83 by [-2.278 0.083 -2.29 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Er8Se16O64
_chemical_formula_sum "K8 Er8 Se16 O64"
_cell_length_a 5.692184
_cell_length_b 9.063673
_cell_length_c 27.753806
_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 K8Er8Se16O64
_chemical_formula_sum "K8 Er8 Se16 O64"
_cell_length_a 5.692184
_cell_length_b 9.063673
_cell_length_c 27.753806
_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 | f7d3a232-17b4-41f3-b853-c0f8410b6c51 | mp-557384 | Move the atom at index 7 by [-0.352 2.944 3.523] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4U4B8O28
_chemical_formula_sum "Mg4 U4 B8 O28"
_cell_length_a 7.393992
_cell_length_b 8.022988
_cell_length_c 9.876277
_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 Mg4U4B8O28
_chemical_formula_sum "Mg4 U4 B8 O28"
_cell_length_a 7.393992
_cell_length_b 8.022988
_cell_length_c 9.876277
_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 | dec0cb23-19ae-481e-b1f7-458f5486909b | mp-755275 | Move the atom at index 2 by [ 3.245 -2.072 3.606] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Ni2O8
_chemical_formula_sum "Li2 Fe2 Ni2 O8"
_cell_length_a 5.94280347
_cell_length_b 5.94280347
_cell_length_c 5.94280347
_cell_angle_alpha 123.09092136
_cell_angle_beta 122.20304436000002
_cell_angle_gamma 85.47520821000002
... | data_image0
_chemical_formula_structural Li2Fe2Ni2O8
_chemical_formula_sum "Li2 Fe2 Ni2 O8"
_cell_length_a 5.94280347
_cell_length_b 5.94280347
_cell_length_c 5.94280347
_cell_angle_alpha 123.09092136
_cell_angle_beta 122.20304436000002
_cell_angle_gamma 85.47520821000002
... |
MoveSelectedAtomsAction | 43aeacd8-3760-40e5-b2ab-fab4c9694c6e | mp-36529 | Move atoms at indices [30, 33, 37, 20, 2, 4, 21, 6, 35, 34, 40, 7, 1, 22, 3, 31, 36, 27, 8, 14, 9, 16, 11, 39, 5, 24, 10, 0, 29, 42, 12, 32, 25, 23, 17, 15, 26, 19, 38, 41, 28] by [ 0.005 2.036 -0.037] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3W10O30
_chemical_formula_sum "Na3 W10 O30"
_cell_length_a 5.504301
_cell_length_b 6.736154
_cell_length_c 16.03167972
_cell_angle_alpha 81.98692636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na3W10O30
_chemical_formula_sum "Na3 W10 O30"
_cell_length_a 5.504301
_cell_length_b 6.736154
_cell_length_c 16.03167972
_cell_angle_alpha 81.98692636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 28dc24bb-e9eb-46e7-95fa-14cda0c6c1f8 | mp-1192151 | Move atoms at indices [1, 15, 5, 4, 10, 6, 3, 8, 19, 13] by [-2.779 -1.527 1.193] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... |
MoveSelectedAtomsAction | 8b28f8b3-7f1f-4942-95c8-9de20dd5ecc2 | mp-1190262 | Move atoms at indices [7, 11, 2, 15, 12, 14, 8] by [ 0.32 3.035 -0.765] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 559d40d6-d74c-457c-b083-3022d4e3157c | mp-1174686 | Move atoms at indices [21, 22, 8, 24, 4, 14, 23, 26, 7, 12, 25, 5, 11] by [-2.094 1.282 -3.111] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 4.952558
_cell_length_b 5.12195824
_cell_length_c 10.24540239
_cell_angle_alpha 100.31488782
_cell_angle_beta 98.10248081
_cell_angle_gamma 100.05603004
_space_gro... | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 4.952558
_cell_length_b 5.12195824
_cell_length_c 10.24540239
_cell_angle_alpha 100.31488782
_cell_angle_beta 98.10248081
_cell_angle_gamma 100.05603004
_space_gro... |
MoveSelectedAtomsAction | f11cdf15-c82f-4bca-9dd2-ef9708347c24 | mp-776484 | Move atoms at indices [62, 69, 53, 10, 39, 3, 14, 85, 57, 15, 59, 71, 16, 84, 2, 32, 27, 11, 60, 28, 1, 22, 91, 47, 80, 63, 49, 43, 4, 82, 38, 73, 51, 29, 33, 6, 58, 88, 30, 81, 83, 26, 79, 54, 90, 13, 56, 68, 41, 48, 37, 50, 44, 35, 45, 19, 65, 52, 23, 24, 12, 7, 42, 18, 40] by [-1.494 1.741 -1.059] angstrom in the c... | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... |
MoveSelectedAtomsAction | 7e0656ec-891e-4860-9829-1338a6069c7d | mp-36982 | Move atoms at indices [22, 3, 23, 17, 20, 5, 48, 8, 2, 46, 40, 30, 24, 16, 34, 45, 7, 1, 32, 42, 36, 15, 14, 44, 13, 19, 29, 33, 28, 43, 9, 31, 38, 21, 12, 39, 49, 41, 27, 26, 47, 25, 10, 6, 37, 18] by [1.142 1.345 3.466] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Ti16S32
_chemical_formula_sum "Mg2 Ti16 S32"
_cell_length_a 7.015726
_cell_length_b 9.905398
_cell_length_c 14.009673
_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 Mg2Ti16S32
_chemical_formula_sum "Mg2 Ti16 S32"
_cell_length_a 7.015726
_cell_length_b 9.905398
_cell_length_c 14.009673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | df4413a2-51c4-4366-bf1c-4323bc18eb31 | mp-1214497 | Move atoms at indices [38, 40, 36, 9, 31, 13, 35, 20, 29, 10, 33, 6, 22, 0, 2, 18, 12, 39, 16, 37, 17, 41, 11, 30, 14, 24, 4] by [-1.554 -0.118 3.461] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | a36565e9-bba5-4b83-9834-46d1b3a1095b | mp-534935 | Move atoms at indices [74, 2, 42] by [2.999 0.482 1.01 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3Pr10Al12Si18N36O18
_chemical_formula_sum "Sr3 Pr10 Al12 Si18 N36 O18"
_cell_length_a 11.70973373
_cell_length_b 11.70973373
_cell_length_c 11.70921533
_cell_angle_alpha 70.56586439999998
_cell_angle_beta 70.5658644
_cell_angle_gamma... | data_image0
_chemical_formula_structural Sr3Pr10Al12Si18N36O18
_chemical_formula_sum "Sr3 Pr10 Al12 Si18 N36 O18"
_cell_length_a 11.70973373
_cell_length_b 11.70973373
_cell_length_c 11.70921533
_cell_angle_alpha 70.56586439999998
_cell_angle_beta 70.5658644
_cell_angle_gamma... |
MoveSelectedAtomsAction | a93e4ede-c4df-4a01-b692-412360dc134a | mp-5626 | Move atoms at indices [7, 23, 4, 25, 13, 19, 27, 0, 26, 18, 17, 5, 6, 14, 2, 24, 16, 1, 12, 8, 22, 15, 21, 20, 11, 10, 9, 3] by [-1.201 3.968 -0.358] angstrom in the cif file. | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_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 K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | b0525352-19af-4f47-8c3f-75d46b61893c | mp-772666 | Move atoms at indices [20, 10, 15, 6, 18, 7, 1] by [ 0.445 -0.28 0.687] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... |
MoveSelectedAtomsAction | 1a581077-cf33-4508-8505-31d35ea5abb4 | mp-1214285 | Move atoms at indices [29, 19, 23, 22, 44, 9, 14, 45, 55, 51, 33, 37, 4, 32, 50, 46, 35, 28, 16, 5, 2, 6, 39, 59, 56, 61, 8, 10, 25] by [ 0.297 0.189 -3.815] angstrom in the cif file. | data_image0
_chemical_formula_structural Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_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 Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | f0db3ef5-3743-4d28-bc34-375cc62d6451 | mp-580962 | Move atoms at indices [12] by [0.385 2.248 3.138] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_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 Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_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... |
MoveSelectedAtomsAction | dec65e55-450a-4a73-8ab2-9977b87660da | mp-6192 | Move atoms at indices [3, 7, 4, 2, 1, 0, 9] by [-1.602 -0.599 1.288] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
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