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 | a9e46d61-654d-4015-89c1-d64ed127fff8 | mp-28408 | Move the atom at index 5 by [ 0.339 -2.322 4.997] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Tc4Cl12
_chemical_formula_sum "K4 Tc4 Cl12"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
... | data_image0
_chemical_formula_structural K4Tc4Cl12
_chemical_formula_sum "K4 Tc4 Cl12"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
... |
MoveAtomAction | 2cd7fe6d-09d3-42fd-9afa-56afec9cf03f | mp-1021403 | Move the atom at index 13 by [ 2.326 2.016 -2.319] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mg12Sn2
_chemical_formula_sum "Li2 Mg12 Sn2"
_cell_length_a 5.113851
_cell_length_b 6.377667
_cell_length_c 11.010383
_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 Li2Mg12Sn2
_chemical_formula_sum "Li2 Mg12 Sn2"
_cell_length_a 5.113851
_cell_length_b 6.377667
_cell_length_c 11.010383
_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 | 5a713de6-a046-445e-9812-e5fa8b172ca1 | mp-20250 | Move the atom at index 4 by [-2.761 -0.939 2.884] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_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 Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_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 | b9f6cf6e-ca6c-403b-8ec9-f4dc0b68da17 | mp-1352636 | Move the atom at index 31 by [ 2.834 -0.926 1.695] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... |
MoveAtomAction | a9aeb1e1-a468-4b9e-8097-f8133c0b233c | mp-1112917 | Move the atom at index 9 by [ 0.559 -0.462 -1.256] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2ErCuCl6
_chemical_formula_sum "Cs2 Er1 Cu1 Cl6"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 7.42327063
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2ErCuCl6
_chemical_formula_sum "Cs2 Er1 Cu1 Cl6"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 7.42327063
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveAtomAction | e0aff7e6-f0bc-4705-a6c1-cfaea05008a2 | mp-1247259 | Move the atom at index 1 by [0.426 2.951 1.343] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... |
MoveAtomAction | a952987e-d4e5-4b76-814f-51881ce33d94 | mp-1173764 | Move the atom at index 16 by [1.988 0.802 2.026] angstrom in the cif file. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... |
MoveAtomAction | 983b267d-713f-4e6a-9bdb-05c4e333c049 | mp-1196133 | Move the atom at index 48 by [-2.246 1.095 -1.68 ] angstrom in the cif file. | data_image0
_chemical_formula_structural U8P4Cl44O4
_chemical_formula_sum "U8 P4 Cl44 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_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 U8P4Cl44O4
_chemical_formula_sum "U8 P4 Cl44 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_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 | 6c7829c6-1a59-4862-be8c-e29ae3bada72 | mp-1192809 | Move the atom at index 26 by [-0.262 -1.432 2.528] 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 | 0e3b5dff-36fb-48b0-a837-008f52effb55 | mp-989637 | Move the atom at index 3 by [-0.312 0.623 1.748] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Re4N12
_chemical_formula_sum "Ba4 Re4 N12"
_cell_length_a 7.98970704
_cell_length_b 7.98970704
_cell_length_c 6.14392328
_cell_angle_alpha 81.54328597999998
_cell_angle_beta 81.54328597999998
_cell_angle_gamma 91.19638265
_space... | data_image0
_chemical_formula_structural Ba4Re4N12
_chemical_formula_sum "Ba4 Re4 N12"
_cell_length_a 7.98970704
_cell_length_b 7.98970704
_cell_length_c 6.14392328
_cell_angle_alpha 81.54328597999998
_cell_angle_beta 81.54328597999998
_cell_angle_gamma 91.19638265
_space... |
MoveAtomAction | b05faf3f-ea1e-48c4-ac4b-e574664b0a82 | mp-1411320 | Move the atom at index 4 by [ 3.835 0.499 -1.161] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2V4O8
_chemical_formula_sum "Y2 V4 O8"
_cell_length_a 6.41888559
_cell_length_b 6.41888559
_cell_length_c 6.418884680000001
_cell_angle_alpha 58.70190772000001
_cell_angle_beta 58.70190772000001
_cell_angle_gamma 58.70191093
_spac... | data_image0
_chemical_formula_structural Y2V4O8
_chemical_formula_sum "Y2 V4 O8"
_cell_length_a 6.41888559
_cell_length_b 6.41888559
_cell_length_c 6.418884680000001
_cell_angle_alpha 58.70190772000001
_cell_angle_beta 58.70190772000001
_cell_angle_gamma 58.70191093
_spac... |
MoveAtomAction | 6d5e792b-12e3-43ac-a99b-51ec5d533cd7 | mp-1246013 | Move the atom at index 3 by [-1.991 0.313 -0.825] angstrom in the cif file. | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... |
MoveAtomAction | c47a502f-bf64-42fd-bbd9-9356238c7c69 | mp-613 | Move the atom at index 3 by [-1.311 1.288 0.327] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... |
MoveAtomAction | 38379ced-9cdb-4ff1-b14e-a479ef9e87b8 | mp-1357031 | Move the atom at index 5 by [-2.624 -2.645 -0.665] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb6Tl2Cu2Cl18
_chemical_formula_sum "Nb6 Tl2 Cu2 Cl18"
_cell_length_a 9.378582
_cell_length_b 9.38646857
_cell_length_c 9.40366541
_cell_angle_alpha 119.46482336999999
_cell_angle_beta 105.21942018000001
_cell_angle_gamma 96.1155967... | data_image0
_chemical_formula_structural Nb6Tl2Cu2Cl18
_chemical_formula_sum "Nb6 Tl2 Cu2 Cl18"
_cell_length_a 9.378582
_cell_length_b 9.38646857
_cell_length_c 9.40366541
_cell_angle_alpha 119.46482336999999
_cell_angle_beta 105.21942018000001
_cell_angle_gamma 96.1155967... |
MoveAtomAction | f9125de2-7e82-4ec3-91a5-356d59fd3c49 | mp-2230736 | Move the atom at index 2 by [-0.099 0.372 0.802] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4MgV4O10
_chemical_formula_sum "Rb4 Mg1 V4 O10"
_cell_length_a 5.80427581
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma 89.23265963000001
_... | data_image0
_chemical_formula_structural Rb4MgV4O10
_chemical_formula_sum "Rb4 Mg1 V4 O10"
_cell_length_a 5.80427581
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma 89.23265963000001
_... |
MoveAtomAction | 86c8bf90-c5bf-4243-8152-68832956f091 | mp-752888 | Move the atom at index 11 by [-0.723 3.057 -1.075] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cu2Si2O8
_chemical_formula_sum "Li4 Cu2 Si2 O8"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cu2Si2O8
_chemical_formula_sum "Li4 Cu2 Si2 O8"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-M_al... |
MoveAtomAction | 6ae4b613-ed15-4be1-9460-308e4f505a74 | mp-1103256 | Move the atom at index 6 by [ 2.14 -1.095 -1.686] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | c070216d-9239-4e07-913f-f2a87ac54a45 | mp-1233440 | Move the atom at index 2 by [-1.103 -0.62 2.02 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgGa4P6H6O18
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgGa4P6H6O18
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name_H-M_... |
MoveAtomAction | da78705d-13a6-4f68-9a83-8f48f9cb5fad | mp-775903 | Move the atom at index 28 by [-2.921 -0.168 1.095] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... |
MoveAtomAction | 737673da-e286-46c8-8f47-ad3a345eaed4 | mp-1233765 | Move the atom at index 10 by [-1.828 -1.956 3.193] angstrom in the cif file. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... |
MoveAtomAction | 765cd2e6-4299-42d5-a8b0-dd2aa58081fc | mp-530953 | Move the atom at index 61 by [-1.864 -2.24 0.147] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho16Ti8O40
_chemical_formula_sum "Ho16 Ti8 O40"
_cell_length_a 7.41089067
_cell_length_b 7.410890670000001
_cell_length_c 17.77621955
_cell_angle_alpha 89.47158481
_cell_angle_beta 89.47158481
_cell_angle_gamma 58.75277637
_space_g... | data_image0
_chemical_formula_structural Ho16Ti8O40
_chemical_formula_sum "Ho16 Ti8 O40"
_cell_length_a 7.41089067
_cell_length_b 7.410890670000001
_cell_length_c 17.77621955
_cell_angle_alpha 89.47158481
_cell_angle_beta 89.47158481
_cell_angle_gamma 58.75277637
_space_g... |
MoveAtomAction | 97f80573-d172-4b53-8861-6600e825bc81 | mp-1233593 | Move the atom at index 16 by [ 0.034 0.193 -5.191] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... |
MoveAtomAction | 25578c79-dee8-463e-93cd-cf3f84a57984 | mp-1209821 | Move the atom at index 1 by [ 0.577 3.055 -0.356] angstrom in the cif file. | data_image0
_chemical_formula_structural Np4Ge4O8
_chemical_formula_sum "Np4 Ge4 O8"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_name_... | data_image0
_chemical_formula_structural Np4Ge4O8
_chemical_formula_sum "Np4 Ge4 O8"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_name_... |
MoveAtomAction | 7acccb95-697c-4867-9112-8cec9ef5a783 | mp-1200885 | Move the atom at index 29 by [ 0.973 1.857 -2.907] angstrom in the cif file. | data_image0
_chemical_formula_structural Y16C28
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Y16C28
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | f1de9bd0-ea1b-40b8-82f6-eded5f7b37da | mp-1213955 | Move the atom at index 3 by [ 1.066 0.179 -2.127] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 | 4d0b732b-f4a5-4ef1-a461-6b6a67ae156e | mp-43188 | Move the atom at index 3 by [0.485 1.46 0.5 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8BeAl4Si7Br2O24
_chemical_formula_sum "Na8 Be1 Al4 Si7 Br2 O24"
_cell_length_a 9.043344
_cell_length_b 9.043344
_cell_length_c 9.093718
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na8BeAl4Si7Br2O24
_chemical_formula_sum "Na8 Be1 Al4 Si7 Br2 O24"
_cell_length_a 9.043344
_cell_length_b 9.043344
_cell_length_c 9.093718
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 2950f895-8ad0-4919-99c0-288e23950b85 | mp-27911 | Move the atom at index 14 by [ 0.294 2.45 -0.704] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4As4O16
_chemical_formula_sum "Bi4 As4 O16"
_cell_length_a 7.17354141
_cell_length_b 6.74462747
_cell_length_c 8.29296855
_cell_angle_alpha 53.29390939999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Bi4As4O16
_chemical_formula_sum "Bi4 As4 O16"
_cell_length_a 7.17354141
_cell_length_b 6.74462747
_cell_length_c 8.29296855
_cell_angle_alpha 53.29390939999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 715a05b9-6af5-45c0-9f81-f576868ccb62 | mp-1217365 | Move the atom at index 0 by [ 0.054 -1.659 1.853] angstrom in the cif file. | data_image0
_chemical_formula_structural ThZr2U2O10
_chemical_formula_sum "Th1 Zr2 U2 O10"
_cell_length_a 15.50643753
_cell_length_b 15.50643753
_cell_length_c 15.5064372
_cell_angle_alpha 14.078482140000034
_cell_angle_beta 14.078482140000034
_cell_angle_gamma 14.07848291... | data_image0
_chemical_formula_structural ThZr2U2O10
_chemical_formula_sum "Th1 Zr2 U2 O10"
_cell_length_a 15.50643753
_cell_length_b 15.50643753
_cell_length_c 15.5064372
_cell_angle_alpha 14.078482140000034
_cell_angle_beta 14.078482140000034
_cell_angle_gamma 14.07848291... |
MoveAtomAction | 0300ac3d-692e-4e15-a1e0-a9d1554845fd | mp-1228099 | Move the atom at index 11 by [-0.087 -0.801 0.221] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Al6F30
_chemical_formula_sum "Ba6 Al6 F30"
_cell_length_a 5.294875
_cell_length_b 7.50576356
_cell_length_c 15.15086871
_cell_angle_alpha 79.41647962999998
_cell_angle_beta 88.48177167000001
_cell_angle_gamma 88.12946573
_space_... | data_image0
_chemical_formula_structural Ba6Al6F30
_chemical_formula_sum "Ba6 Al6 F30"
_cell_length_a 5.294875
_cell_length_b 7.50576356
_cell_length_c 15.15086871
_cell_angle_alpha 79.41647962999998
_cell_angle_beta 88.48177167000001
_cell_angle_gamma 88.12946573
_space_... |
MoveAtomAction | c6347ff0-954b-4103-a791-fc18fe5d78df | mp-1195795 | Move the atom at index 5 by [-0.746 -2.149 -0.446] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... |
MoveAtomAction | 2331439d-5c0d-46a0-a5f2-7574b6b003a9 | mp-849617 | Move the atom at index 26 by [-0.224 0.505 -1.121] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24859
_cell_length_b 9.14136416
_cell_length_c 11.30782167
_cell_angle_alpha 112.71046395999998
_cell_angle_beta 103.3578393
_cell_angle_gamma 90.05467985
_space_g... | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24859
_cell_length_b 9.14136416
_cell_length_c 11.30782167
_cell_angle_alpha 112.71046395999998
_cell_angle_beta 103.3578393
_cell_angle_gamma 90.05467985
_space_g... |
MoveAtomAction | 3f60672b-f3f4-49ea-8a30-d1afad3d8d2c | mp-1100579 | Move the atom at index 3 by [-2.918 0.932 1.514] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.901586
_cell_length_b 5.200861
_cell_length_c 19.42563306
_cell_angle_alpha 84.16596321
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.901586
_cell_length_b 5.200861
_cell_length_c 19.42563306
_cell_angle_alpha 84.16596321
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 58cc71f2-3090-4760-8d0b-47ed14ad81da | mp-1173638 | Move the atom at index 19 by [-1.312 -2.244 -2.129] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... |
MoveAtomAction | de07cc79-e132-4f78-9842-b133e6aba125 | mp-1211409 | Move the atom at index 18 by [ 4.672 -0.755 -1.856] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Tb4Mo8O32
_chemical_formula_sum "K4 Tb4 Mo8 O32"
_cell_length_a 5.158313
_cell_length_b 8.16187
_cell_length_c 18.467511
_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 K4Tb4Mo8O32
_chemical_formula_sum "K4 Tb4 Mo8 O32"
_cell_length_a 5.158313
_cell_length_b 8.16187
_cell_length_c 18.467511
_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 | 1c887f70-a5e9-4089-a73c-6270ea76e4e4 | mp-1026412 | Move the atom at index 11 by [-0.265 -0.013 -2.281] angstrom in the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... |
MoveAtomAction | bf3c7f10-9c0c-4626-adbe-3e5b803f0282 | mp-776026 | Move the atom at index 1 by [-0.945 -1.193 1.385] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_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 Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_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 | c5c22fc6-ffa5-4fd6-8137-b1f5d275f846 | mp-1519680 | Move the atom at index 8 by [ 1.75 0.887 -1.057] angstrom in the cif file. | data_image0
_chemical_formula_structural NaLaTi4O12
_chemical_formula_sum "Na1 La1 Ti4 O12"
_cell_length_a 5.44900287
_cell_length_b 5.44900287
_cell_length_c 7.87305644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00667187
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural NaLaTi4O12
_chemical_formula_sum "Na1 La1 Ti4 O12"
_cell_length_a 5.44900287
_cell_length_b 5.44900287
_cell_length_c 7.87305644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00667187
_space_group_name_H-M_alt ... |
MoveAtomAction | db508f6b-88d5-4b34-9e47-0c53747930df | mp-771159 | Move the atom at index 3 by [-0.263 -2.599 -5.026] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... |
MoveAtomAction | 10b257a6-5a5b-41b0-8bb6-ad8de1ee6b5e | mp-16136 | Move the atom at index 21 by [-1.654 -3.869 -2.794] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... |
MoveAtomAction | 79b52ba5-3b5d-4c87-be2f-a653ebea1080 | mp-675042 | Move the atom at index 15 by [-2.01 0.407 -3.179] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16Ti8O8
_chemical_formula_sum "Mg16 Ti8 O8"
_cell_length_a 5.932729
_cell_length_b 6.12230804
_cell_length_c 20.971494330000002
_cell_angle_alpha 82.08305461000002
_cell_angle_beta 82.36754106
_cell_angle_gamma 62.10751249999999
... | data_image0
_chemical_formula_structural Mg16Ti8O8
_chemical_formula_sum "Mg16 Ti8 O8"
_cell_length_a 5.932729
_cell_length_b 6.12230804
_cell_length_c 20.971494330000002
_cell_angle_alpha 82.08305461000002
_cell_angle_beta 82.36754106
_cell_angle_gamma 62.10751249999999
... |
MoveAtomAction | 0222671b-138f-4668-9095-0a17847afb4b | mp-1103868 | Move the atom at index 14 by [-0.156 2.587 -1.159] angstrom in the cif file. | data_image0
_chemical_formula_structural ZnRe2O12
_chemical_formula_sum "Zn1 Re2 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_group_... | data_image0
_chemical_formula_structural ZnRe2O12
_chemical_formula_sum "Zn1 Re2 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_group_... |
MoveAtomAction | d22aebf5-4a0d-4b3d-9786-fc6ec24df835 | mp-616196 | Move the atom at index 14 by [ 2.044 -1.154 -1.931] 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 | 10b62a55-9175-4a5d-bb28-7c8809772c58 | mp-559695 | Move the atom at index 3 by [ 2.851 -0.996 1.602] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2RbBiF6
_chemical_formula_sum "Cs2 Rb1 Bi1 F6"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Cs2RbBiF6
_chemical_formula_sum "Cs2 Rb1 Bi1 F6"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
MoveAtomAction | 27a2ca84-215f-4ff2-8992-13415c65d0d3 | mp-850538 | Move the atom at index 12 by [-2.577 2.666 -2.496] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60.15158... | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60.15158... |
MoveAtomAction | 13611fca-f60c-4f2c-9621-90466560f4f1 | mp-1190089 | Move the atom at index 22 by [ 0.377 -2.501 1.591] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Hf4Br18
_chemical_formula_sum "Cs2 Hf4 Br18"
_cell_length_a 6.88181403
_cell_length_b 10.17559558
_cell_length_c 13.247795399999998
_cell_angle_alpha 66.70110233
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs2Hf4Br18
_chemical_formula_sum "Cs2 Hf4 Br18"
_cell_length_a 6.88181403
_cell_length_b 10.17559558
_cell_length_c 13.247795399999998
_cell_angle_alpha 66.70110233
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveAtomAction | ba3bbacf-3f3b-472e-9a9b-1c346b0cb58d | mp-1219192 | Move the atom at index 11 by [ 2.391 0.975 -0.365] angstrom in the cif file. | data_image0
_chemical_formula_structural SmErTi2Fe16Co6
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space_group... | data_image0
_chemical_formula_structural SmErTi2Fe16Co6
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space_group... |
MoveAtomAction | 1a9e3342-e080-4788-bcc5-5052ccfa6946 | mp-29239 | Move the atom at index 9 by [-1.756 2.287 1.672] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu4B8Ru4
_chemical_formula_sum "Lu4 B8 Ru4"
_cell_length_a 5.23437906
_cell_length_b 5.79218908
_cell_length_c 6.26149198
_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 Lu4B8Ru4
_chemical_formula_sum "Lu4 B8 Ru4"
_cell_length_a 5.23437906
_cell_length_b 5.79218908
_cell_length_c 6.26149198
_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 | 3d6e4527-fe4d-4792-8fd2-f6304e3688ca | mp-555986 | Move the atom at index 30 by [1.876 0.406 1.99 ] angstrom in the cif file. | data_image0
_chemical_formula_structural As2C2S6N4F22
_chemical_formula_sum "As2 C2 S6 N4 F22"
_cell_length_a 6.318984
_cell_length_b 7.2213999
_cell_length_c 13.37401907
_cell_angle_alpha 95.59998720999998
_cell_angle_beta 96.66692612
_cell_angle_gamma 104.08669523999998
... | data_image0
_chemical_formula_structural As2C2S6N4F22
_chemical_formula_sum "As2 C2 S6 N4 F22"
_cell_length_a 6.318984
_cell_length_b 7.2213999
_cell_length_c 13.37401907
_cell_angle_alpha 95.59998720999998
_cell_angle_beta 96.66692612
_cell_angle_gamma 104.08669523999998
... |
MoveAtomAction | 594aac80-29f7-4864-b82a-5d6fe30be408 | mp-1223688 | Move the atom at index 21 by [ 3.161 -1.306 -2.081] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Fe10Bi8O30
_chemical_formula_sum "La2 Fe10 Bi8 O30"
_cell_length_a 5.583138
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_angle_gamma 102.87975701
_... | data_image0
_chemical_formula_structural La2Fe10Bi8O30
_chemical_formula_sum "La2 Fe10 Bi8 O30"
_cell_length_a 5.583138
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_angle_gamma 102.87975701
_... |
MoveAtomAction | 3b9cb37b-ab57-4dc6-a1a9-34d3b1f3e73d | mp-698063 | Move the atom at index 27 by [-1.501 -0.442 0.126] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... |
MoveAtomAction | d9d71bb7-5dbc-4cf1-957c-62ddaf70f150 | mp-1226178 | Move the atom at index 15 by [-1.651 0.367 -5.147] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr12BP3
_chemical_formula_sum "Cr12 B1 P3"
_cell_length_a 4.462446
_cell_length_b 6.68693698
_cell_length_c 6.7490850799999995
_cell_angle_alpha 85.43454322
_cell_angle_beta 108.94953747999999
_cell_angle_gamma 108.90029558
_space_... | data_image0
_chemical_formula_structural Cr12BP3
_chemical_formula_sum "Cr12 B1 P3"
_cell_length_a 4.462446
_cell_length_b 6.68693698
_cell_length_c 6.7490850799999995
_cell_angle_alpha 85.43454322
_cell_angle_beta 108.94953747999999
_cell_angle_gamma 108.90029558
_space_... |
MoveAtomAction | 9b2f9d74-e75d-4b41-bb3b-ce2e2f17de12 | mp-2219347 | Move the atom at index 12 by [-0.763 3.476 -1.978] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... |
MoveAtomAction | 2b1cc875-0047-43ec-88d4-abcf0a15c1ea | mp-757032 | Move the atom at index 5 by [-2.087 1.212 -0.985] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs6Er2O6
_chemical_formula_sum "Cs6 Er2 O6"
_cell_length_a 7.48436242
_cell_length_b 7.48436204
_cell_length_c 7.5666923299999995
_cell_angle_alpha 83.92575461000001
_cell_angle_beta 96.07424925
_cell_angle_gamma 64.01794376
_space... | data_image0
_chemical_formula_structural Cs6Er2O6
_chemical_formula_sum "Cs6 Er2 O6"
_cell_length_a 7.48436242
_cell_length_b 7.48436204
_cell_length_c 7.5666923299999995
_cell_angle_alpha 83.92575461000001
_cell_angle_beta 96.07424925
_cell_angle_gamma 64.01794376
_space... |
MoveAtomAction | aaf1ca47-6ba0-47cf-94a2-b9554d70716f | mp-1223717 | Move the atom at index 2 by [ 0.358 1.389 -1.48 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... |
MoveAtomAction | 807810e0-fb9d-4063-8382-f1f589a6e368 | mp-757836 | Move the atom at index 3 by [-1.042 -2.199 -0.249] angstrom in the cif file. | data_image0
_chemical_formula_structural Be4H8Se4O16
_chemical_formula_sum "Be4 H8 Se4 O16"
_cell_length_a 5.718147
_cell_length_b 7.62828
_cell_length_c 7.952448
_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 Be4H8Se4O16
_chemical_formula_sum "Be4 H8 Se4 O16"
_cell_length_a 5.718147
_cell_length_b 7.62828
_cell_length_c 7.952448
_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 | 65badc09-118c-44da-b827-99197b7421ca | mp-29399 | Move the atom at index 10 by [-1.539 3.639 -1.836] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Ni2O8
_chemical_formula_sum "Mn4 Ni2 O8"
_cell_length_a 6.02148477
_cell_length_b 6.0214848199999995
_cell_length_c 6.021485
_cell_angle_alpha 60.00000450999998
_cell_angle_beta 60.000004219999994
_cell_angle_gamma 60.00000310999... | data_image0
_chemical_formula_structural Mn4Ni2O8
_chemical_formula_sum "Mn4 Ni2 O8"
_cell_length_a 6.02148477
_cell_length_b 6.0214848199999995
_cell_length_c 6.021485
_cell_angle_alpha 60.00000450999998
_cell_angle_beta 60.000004219999994
_cell_angle_gamma 60.00000310999... |
MoveAtomAction | d84a254b-836c-457f-9f67-edc756b53bbe | mp-1043461 | Move the atom at index 41 by [-0.789 -2.183 -1.44 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4Sb4P8O36
_chemical_formula_sum "Ni4 Sb4 P8 O36"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_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 Ni4Sb4P8O36
_chemical_formula_sum "Ni4 Sb4 P8 O36"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_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 | fa944f55-c63f-4918-9d4a-eb3eb9c75907 | mp-769705 | Move the atom at index 23 by [-2.118 0.903 1.002] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd4Co8O16
_chemical_formula_sum "Cd4 Co8 O16"
_cell_length_a 5.066793
_cell_length_b 5.90934957
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697
_cell_angle_gamma 89.28698270000001
_space_... | data_image0
_chemical_formula_structural Cd4Co8O16
_chemical_formula_sum "Cd4 Co8 O16"
_cell_length_a 5.066793
_cell_length_b 5.90934957
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697
_cell_angle_gamma 89.28698270000001
_space_... |
MoveAtomAction | f0fabc0f-2334-4cb7-b95c-5c9cc25cb3b6 | mp-862697 | Move the atom at index 0 by [1.724 0.765 1.408] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Mg2Ge4
_chemical_formula_sum "Er4 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_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 Er4Mg2Ge4
_chemical_formula_sum "Er4 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_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 | a6e6f1b3-196e-4dd0-8fc1-6c365e4e0ca0 | mp-1567262 | Move the atom at index 9 by [-0.678 0.613 3.481] 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 | b2d75cdc-9653-4486-a5d8-535e21033e7f | mp-780766 | Move the atom at index 23 by [ 1.208 -1.117 2.002] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe10O9F11
_chemical_formula_sum "Fe10 O9 F11"
_cell_length_a 4.75422975
_cell_length_b 4.75422975
_cell_length_c 15.53430141
_cell_angle_alpha 89.99088441
_cell_angle_beta 89.99088441
_cell_angle_gamma 91.94371098999999
_space_grou... | data_image0
_chemical_formula_structural Fe10O9F11
_chemical_formula_sum "Fe10 O9 F11"
_cell_length_a 4.75422975
_cell_length_b 4.75422975
_cell_length_c 15.53430141
_cell_angle_alpha 89.99088441
_cell_angle_beta 89.99088441
_cell_angle_gamma 91.94371098999999
_space_grou... |
MoveAtomAction | daf33066-6a44-44ff-88a7-7e21f52fd089 | mp-1199851 | Move the atom at index 45 by [-1.118 -1.093 -3.086] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_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 Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_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 | 82353abe-04a1-4c33-bdb2-0afa518a9f81 | mp-1111085 | Move the atom at index 4 by [4.228 0.068 0.612] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2VAuF6
_chemical_formula_sum "Na2 V1 Au1 F6"
_cell_length_a 6.160899
_cell_length_b 6.16089921
_cell_length_c 6.16089917
_cell_angle_alpha 60.00000008000001
_cell_angle_beta 59.99999557
_cell_angle_gamma 59.99999577
_space_group_... | data_image0
_chemical_formula_structural Na2VAuF6
_chemical_formula_sum "Na2 V1 Au1 F6"
_cell_length_a 6.160899
_cell_length_b 6.16089921
_cell_length_c 6.16089917
_cell_angle_alpha 60.00000008000001
_cell_angle_beta 59.99999557
_cell_angle_gamma 59.99999577
_space_group_... |
MoveAtomAction | 2f1a410e-a6b8-4a7f-add4-2ac0a722b711 | mp-1073789 | Move the atom at index 3 by [ 0.871 -1.755 -1.291] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6Si6
_chemical_formula_sum "Mg6 Si6"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
_spac... | data_image0
_chemical_formula_structural Mg6Si6
_chemical_formula_sum "Mg6 Si6"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
_spac... |
MoveAtomAction | da093a77-3e29-4c68-afa0-5da41a88a5be | mp-758607 | Move the atom at index 8 by [ 0.007 -1.886 4.527] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_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 Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_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 | f6085184-1ee5-4256-a53f-100e24a5cfab | mp-19442 | Move the atom at index 10 by [-0.962 0.445 -1.501] angstrom in the cif file. | data_image0
_chemical_formula_structural MnNi6O8
_chemical_formula_sum "Mn1 Ni6 O8"
_cell_length_a 5.89233324
_cell_length_b 5.89233555
_cell_length_c 5.89237318
_cell_angle_alpha 60.00125997000001
_cell_angle_beta 60.00127179
_cell_angle_gamma 60.000842299999995
_space_g... | data_image0
_chemical_formula_structural MnNi6O8
_chemical_formula_sum "Mn1 Ni6 O8"
_cell_length_a 5.89233324
_cell_length_b 5.89233555
_cell_length_c 5.89237318
_cell_angle_alpha 60.00125997000001
_cell_angle_beta 60.00127179
_cell_angle_gamma 60.000842299999995
_space_g... |
MoveAtomAction | ed8607a4-053e-46d7-aa0b-c9af0416e639 | mp-1027074 | Move the atom at index 0 by [-2.081 -1.358 -3.193] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_group_n... | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_group_n... |
MoveAtomAction | d0f999e5-9254-4e58-83f4-f38cb71ff43f | mp-556532 | Move the atom at index 7 by [ 0.439 -1.626 -0.928] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Al2B6O14
_chemical_formula_sum "Ca2 Al2 B6 O14"
_cell_length_a 7.14232107
_cell_length_b 7.14232107
_cell_length_c 4.411938
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.53086852
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca2Al2B6O14
_chemical_formula_sum "Ca2 Al2 B6 O14"
_cell_length_a 7.14232107
_cell_length_b 7.14232107
_cell_length_c 4.411938
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.53086852
_space_group_name_H-M_alt ... |
MoveAtomAction | 20b9d82c-5140-4444-b7b3-ff14be21d8f0 | mp-1193590 | Move the atom at index 3 by [-1.238 -1.354 -1.143] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd2Co18Si8
_chemical_formula_sum "Gd2 Co18 Si8"
_cell_length_a 7.90499736
_cell_length_b 7.90499736
_cell_length_c 7.90499736
_cell_angle_alpha 121.62233963999999
_cell_angle_beta 121.62233963999999
_cell_angle_gamma 87.21226789
_s... | data_image0
_chemical_formula_structural Gd2Co18Si8
_chemical_formula_sum "Gd2 Co18 Si8"
_cell_length_a 7.90499736
_cell_length_b 7.90499736
_cell_length_c 7.90499736
_cell_angle_alpha 121.62233963999999
_cell_angle_beta 121.62233963999999
_cell_angle_gamma 87.21226789
_s... |
MoveAtomAction | a976a6e0-f3f1-4f95-ab89-c0e53093041c | mp-1202923 | Move the atom at index 37 by [3.023 0.671 0.936] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4H32S6O40
_chemical_formula_sum "Ho4 H32 S6 O40"
_cell_length_a 6.699509
_cell_length_b 7.67212663
_cell_length_c 18.36402729
_cell_angle_alpha 101.57689538
_cell_angle_beta 90.0
_cell_angle_gamma 115.88801569
_space_group_name_H... | data_image0
_chemical_formula_structural Ho4H32S6O40
_chemical_formula_sum "Ho4 H32 S6 O40"
_cell_length_a 6.699509
_cell_length_b 7.67212663
_cell_length_c 18.36402729
_cell_angle_alpha 101.57689538
_cell_angle_beta 90.0
_cell_angle_gamma 115.88801569
_space_group_name_H... |
MoveAtomAction | 0a89ba92-aea5-453c-8000-27c62793aa93 | mp-1193964 | Move the atom at index 9 by [-1.297 4.194 0.468] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Mg2C6O18
_chemical_formula_sum "Ca4 Mg2 C6 O18"
_cell_length_a 4.84879244
_cell_length_b 4.84879244
_cell_length_c 16.59806269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000153999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ca4Mg2C6O18
_chemical_formula_sum "Ca4 Mg2 C6 O18"
_cell_length_a 4.84879244
_cell_length_b 4.84879244
_cell_length_c 16.59806269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000153999999
_space_group_name_H... |
MoveAtomAction | 1c82abdd-eae3-4554-aa94-eca4a259f32d | mp-766479 | Move the atom at index 43 by [-1.944 -1.225 0.062] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Fe4B8O24
_chemical_formula_sum "Li8 Mn2 Fe4 B8 O24"
_cell_length_a 9.006655
_cell_length_b 5.291647
_cell_length_c 9.95652407
_cell_angle_alpha 89.10302316000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li8Mn2Fe4B8O24
_chemical_formula_sum "Li8 Mn2 Fe4 B8 O24"
_cell_length_a 9.006655
_cell_length_b 5.291647
_cell_length_c 9.95652407
_cell_angle_alpha 89.10302316000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAtomAction | e29cca5c-1579-4129-8291-25f0289bfb9d | mp-889216 | Move the atom at index 14 by [-0.641 -0.524 -1.224] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.546964
_cell_length_b 5.45334602
_cell_length_c 7.536521800000001
_cell_angle_alpha 86.42265089
_cell_angle_beta 89.95481883
_cell_angle_gamma 89.8901646
_space_group_nam... | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.546964
_cell_length_b 5.45334602
_cell_length_c 7.536521800000001
_cell_angle_alpha 86.42265089
_cell_angle_beta 89.95481883
_cell_angle_gamma 89.8901646
_space_group_nam... |
MoveAtomAction | 280bfc70-ae01-431d-ba48-aeae77cd7960 | mp-1222724 | Move the atom at index 24 by [ 0.029 -0.631 -1.214] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu6Ga19Pd3
_chemical_formula_sum "Lu6 Ga19 Pd3"
_cell_length_a 8.11245202
_cell_length_b 8.11245202
_cell_length_c 15.86676528
_cell_angle_alpha 76.36422931
_cell_angle_beta 76.36422931
_cell_angle_gamma 30.321621739999983
_space_g... | data_image0
_chemical_formula_structural Lu6Ga19Pd3
_chemical_formula_sum "Lu6 Ga19 Pd3"
_cell_length_a 8.11245202
_cell_length_b 8.11245202
_cell_length_c 15.86676528
_cell_angle_alpha 76.36422931
_cell_angle_beta 76.36422931
_cell_angle_gamma 30.321621739999983
_space_g... |
MoveAtomAction | 55fb15cb-10a8-409a-b080-04ae8b438e7c | mp-763224 | Move the atom at index 2 by [ 2.192 -1.09 3.236] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.991426
_cell_length_b 7.063957810000001
_cell_length_c 7.130215940000001
_cell_angle_alpha 101.53322556
_cell_angle_beta 90.21732414
_cell_angle_gamma 90.13568098
_space_... | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.991426
_cell_length_b 7.063957810000001
_cell_length_c 7.130215940000001
_cell_angle_alpha 101.53322556
_cell_angle_beta 90.21732414
_cell_angle_gamma 90.13568098
_space_... |
MoveAtomAction | ead10c36-9246-4650-a3d1-a0235e92e384 | mp-2230483 | Move the atom at index 15 by [-0.46 1.554 0.603] angstrom in the cif file. | data_image0
_chemical_formula_structural MgV5CrO12
_chemical_formula_sum "Mg1 V5 Cr1 O12"
_cell_length_a 7.05553626
_cell_length_b 7.05539907
_cell_length_c 5.5347176
_cell_angle_alpha 70.33758008
_cell_angle_beta 109.66409515000001
_cell_angle_gamma 103.71570313999999
_s... | data_image0
_chemical_formula_structural MgV5CrO12
_chemical_formula_sum "Mg1 V5 Cr1 O12"
_cell_length_a 7.05553626
_cell_length_b 7.05539907
_cell_length_c 5.5347176
_cell_angle_alpha 70.33758008
_cell_angle_beta 109.66409515000001
_cell_angle_gamma 103.71570313999999
_s... |
MoveAtomAction | c72c8529-0dee-4749-9137-a537c409722e | mp-1195793 | Move the atom at index 18 by [-2.246 0.641 4.251] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4P4H4O20
_chemical_formula_sum "Ba4 Fe4 P4 H4 O20"
_cell_length_a 5.105461
_cell_length_b 8.951228
_cell_length_c 10.086886
_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 Ba4Fe4P4H4O20
_chemical_formula_sum "Ba4 Fe4 P4 H4 O20"
_cell_length_a 5.105461
_cell_length_b 8.951228
_cell_length_c 10.086886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | 5299661a-23fa-4727-b718-f1cdb0f1dd40 | mp-1233619 | Move the atom at index 12 by [-2.462 -3.3 -1.647] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... |
MoveAtomAction | fc28946c-cc9b-45d1-8c22-57389e07e837 | mp-1234114 | Move the atom at index 8 by [ 0.5 -1.732 -1.561] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.19088003
_cell_length_b 5.2832088399999995
_cell_length_c 11.751094119999998
_cell_angle_alpha 88.19506896
_cell_angle_beta 93.5200272
_cell_angle_gamma 92.18298936
_... | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.19088003
_cell_length_b 5.2832088399999995
_cell_length_c 11.751094119999998
_cell_angle_alpha 88.19506896
_cell_angle_beta 93.5200272
_cell_angle_gamma 92.18298936
_... |
MoveAtomAction | 5b58bee1-20dd-42a3-a395-50e6ee39080a | mp-753838 | Move the atom at index 13 by [ 1.927 0.544 -0.354] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni4O14
_chemical_formula_sum "Li4 Si4 Ni4 O14"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_group_n... | data_image0
_chemical_formula_structural Li4Si4Ni4O14
_chemical_formula_sum "Li4 Si4 Ni4 O14"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_group_n... |
MoveAtomAction | 787313a1-707f-4eca-bfeb-16a23f1a6d6b | mp-861612 | Move the atom at index 15 by [ 0.595 -0.215 -0.679] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | dfc4254c-0aa2-4ff8-919d-578da327aac2 | mp-557634 | Move the atom at index 25 by [-2.819 -0.046 -0.71 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... |
MoveAtomAction | 48044eb1-118d-47b5-9d9b-c7687b7c0379 | mp-568431 | Move the atom at index 10 by [-2.054 0.425 3.728] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd12Fe26Sb2
_chemical_formula_sum "Nd12 Fe26 Sb2"
_cell_length_a 13.03642993
_cell_length_b 13.03642993
_cell_length_c 13.03642993
_cell_angle_alpha 143.95074712000002
_cell_angle_beta 143.95074712000002
_cell_angle_gamma 51.9009489... | data_image0
_chemical_formula_structural Nd12Fe26Sb2
_chemical_formula_sum "Nd12 Fe26 Sb2"
_cell_length_a 13.03642993
_cell_length_b 13.03642993
_cell_length_c 13.03642993
_cell_angle_alpha 143.95074712000002
_cell_angle_beta 143.95074712000002
_cell_angle_gamma 51.9009489... |
MoveAtomAction | 7fff3e56-cb04-4e3c-947c-a33169996151 | mp-1520816 | Move the atom at index 6 by [-0.208 -1.736 1.948] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24
_chemical_formula_sum "Ba4 Eu4 Zr8 O24"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_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 Ba4Eu4Zr8O24
_chemical_formula_sum "Ba4 Eu4 Zr8 O24"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 8919630e-802b-4f30-82ba-3c0e9fbcf80f | mp-557123 | Move the atom at index 6 by [-0.746 -3.831 -0.427] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | bd3e6c05-fbe6-4f38-b61b-c60d9260f1f3 | mp-1178407 | Move the atom at index 9 by [-1.006 -1.275 0.786] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr8P4O20
_chemical_formula_sum "Cr8 P4 O20"
_cell_length_a 6.45024542
_cell_length_b 7.31297143
_cell_length_c 7.40818743
_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 Cr8P4O20
_chemical_formula_sum "Cr8 P4 O20"
_cell_length_a 6.45024542
_cell_length_b 7.31297143
_cell_length_c 7.40818743
_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 | 624ef74a-eb6c-4d1a-a8f6-db3ac5b4845d | mp-614981 | Move the atom at index 10 by [3.242 3.03 2.916] 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 | 690f8192-515e-4ec1-bdc7-e8f53d08bbbe | mp-19357 | Move the atom at index 0 by [-2.208 -2.167 -1.252] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Cr2O6
_chemical_formula_sum "La2 Cr2 O6"
_cell_length_a 5.45720057
_cell_length_b 5.45720004
_cell_length_c 5.45749681
_cell_angle_alpha 61.134429309999994
_cell_angle_beta 61.134430159999994
_cell_angle_gamma 61.13540772999999
... | data_image0
_chemical_formula_structural La2Cr2O6
_chemical_formula_sum "La2 Cr2 O6"
_cell_length_a 5.45720057
_cell_length_b 5.45720004
_cell_length_c 5.45749681
_cell_angle_alpha 61.134429309999994
_cell_angle_beta 61.134430159999994
_cell_angle_gamma 61.13540772999999
... |
MoveAtomAction | 0bb2d1b9-6901-43a7-a1d0-abbb7e3c33fd | mp-1208360 | Move the atom at index 8 by [4.791 0.456 1.153] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb2Tl2W4O16
_chemical_formula_sum "Tb2 Tl2 W4 O16"
_cell_length_a 7.65111493
_cell_length_b 7.651114930000001
_cell_length_c 7.497773409999999
_cell_angle_alpha 62.4349798
_cell_angle_beta 62.4349798
_cell_angle_gamma 88.55985652000... | data_image0
_chemical_formula_structural Tb2Tl2W4O16
_chemical_formula_sum "Tb2 Tl2 W4 O16"
_cell_length_a 7.65111493
_cell_length_b 7.651114930000001
_cell_length_c 7.497773409999999
_cell_angle_alpha 62.4349798
_cell_angle_beta 62.4349798
_cell_angle_gamma 88.55985652000... |
MoveAtomAction | 05ae506a-1d1a-4f09-b03a-7f5ccd89ad5a | mp-1120783 | Move the atom at index 54 by [ 0.735 -1.265 2.07 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 6fe1bba6-6e02-4c97-b5f8-a7b9ae865e4b | mp-1237028 | Move the atom at index 8 by [-3.27 0.394 -0.462] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 | e8fe2d3b-f650-459c-9110-cf45f70df1b4 | mp-759335 | Move the atom at index 26 by [-0.051 2.078 2.385] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... |
MoveAtomAction | af9be679-38c0-464f-883f-e9d481a83826 | mp-1210947 | Move the atom at index 13 by [1.363 2.066 2.697] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... |
MoveAtomAction | b355bde5-f290-4311-a462-dde993a8f40e | mp-1188318 | Move the atom at index 17 by [ 3.735 1.555 -0.335] angstrom in the cif file. | data_image0
_chemical_formula_structural Si2H16
_chemical_formula_sum "Si2 H16"
_cell_length_a 5.53813922
_cell_length_b 5.55217752
_cell_length_c 7.5952981
_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 Si2H16
_chemical_formula_sum "Si2 H16"
_cell_length_a 5.53813922
_cell_length_b 5.55217752
_cell_length_c 7.5952981
_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 | 8fe4017f-bb4f-4f11-bd1a-2b9504ee4c41 | mp-1028063 | Move the atom at index 5 by [ 1.841 -0.435 -0.815] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14MnGa
_chemical_formula_sum "Mg14 Mn1 Ga1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnGa
_chemical_formula_sum "Mg14 Mn1 Ga1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt "P... |
MoveAtomAction | 97427933-cf79-4e03-9519-1e0c6e0707f1 | mp-773047 | Move the atom at index 15 by [-1.797 -0.04 0.655] angstrom in the cif file. | data_image0
_chemical_formula_structural K3Nb6P3O24
_chemical_formula_sum "K3 Nb6 P3 O24"
_cell_length_a 8.52236369
_cell_length_b 8.52236369
_cell_length_c 8.52236338
_cell_angle_alpha 104.13103007
_cell_angle_beta 104.13103007
_cell_angle_gamma 104.13102101
_space_group... | data_image0
_chemical_formula_structural K3Nb6P3O24
_chemical_formula_sum "K3 Nb6 P3 O24"
_cell_length_a 8.52236369
_cell_length_b 8.52236369
_cell_length_c 8.52236338
_cell_angle_alpha 104.13103007
_cell_angle_beta 104.13103007
_cell_angle_gamma 104.13102101
_space_group... |
MoveAtomAction | 63044ac5-2c7a-4880-b603-33616845eb7a | mp-766119 | Move the atom at index 2 by [-3.812 -0.235 0.086] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V8Si8O36
_chemical_formula_sum "Li8 V8 Si8 O36"
_cell_length_a 5.26542
_cell_length_b 8.415311
_cell_length_c 14.175306
_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 Li8V8Si8O36
_chemical_formula_sum "Li8 V8 Si8 O36"
_cell_length_a 5.26542
_cell_length_b 8.415311
_cell_length_c 14.175306
_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 | 65bedaff-27d9-43fd-b8b5-da4659f0ee09 | mp-14926 | Move the atom at index 39 by [1.701 2.061 1.032] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Sc4F28
_chemical_formula_sum "Sr8 Sc4 F28"
_cell_length_a 12.19979834
_cell_length_b 5.42556548
_cell_length_c 8.2382499
_cell_angle_alpha 89.47662819
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sr8Sc4F28
_chemical_formula_sum "Sr8 Sc4 F28"
_cell_length_a 12.19979834
_cell_length_b 5.42556548
_cell_length_c 8.2382499
_cell_angle_alpha 89.47662819
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 71cac57f-76c9-44c1-a1c7-b4eec433af5e | mp-759828 | Move the atom at index 25 by [-2.047 -0.736 2.408] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... |
MoveAtomAction | 6715328e-4478-4553-a84f-b1335f6f9102 | mp-2715503 | Move the atom at index 24 by [-0.071 -3.821 -2.476] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... |
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