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 |
|---|---|---|---|---|---|
MoveAroundAtomAction | e58dcb85-b7bc-43bf-ad65-fb4e4fbdc041 | mp-1237178 | Move all surrounding atoms within 3.95 angstrom around the center atom at index 4 by [1.793 0.566 3.605] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... |
MoveAroundAtomAction | 873ddcc6-3055-4ee4-85b8-7b42a0ec7b4e | mp-28408 | Move all surrounding atoms within 3.954 angstrom around the center atom at index 0 by [2.024 2.51 2.34 ] 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
... |
MoveAroundAtomAction | d93ead33-43f6-4f11-a8ce-1f67d3e51650 | mp-1021403 | Move all surrounding atoms within 3.602 angstrom around the center atom at index 9 by [-0.495 -3.747 1.579] 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_... |
MoveAroundAtomAction | e4224140-1445-4564-abf5-de59d51376a5 | mp-20250 | Move all surrounding atoms within 3.337 angstrom around the center atom at index 14 by [ 0.136 -1.744 -1.565] 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... |
MoveAroundAtomAction | e458ee04-8e26-48f3-b48c-1a7fa65dfa71 | mp-1352636 | Move all surrounding atoms within 1.64 angstrom around the center atom at index 10 by [1.791 1.431 2.632] 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-... |
MoveAroundAtomAction | c0cd5d32-4e66-4e66-a3fe-689089be07a1 | mp-1112917 | Move all surrounding atoms within 2.703 angstrom around the center atom at index 2 by [1.565 0.062 0.98 ] 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... |
MoveAroundAtomAction | 4acdddf8-8eb6-44a4-b8e0-582aeee82787 | mp-1247259 | Move all surrounding atoms within 2.812 angstrom around the center atom at index 4 by [ 1.16 1.232 -3.688] 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 ... |
MoveAroundAtomAction | 7075a9b5-5469-4e4f-818b-45eca8fb03a5 | mp-1173764 | Move all surrounding atoms within 2.873 angstrom around the center atom at index 2 by [ 2.686 -0.472 0.702] 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... |
MoveAroundAtomAction | b5f66857-9d75-4945-a526-f2e8104d9cfb | mp-1196133 | Move all surrounding atoms within 3.129 angstrom around the center atom at index 24 by [-0.091 -3.295 -3.095] 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_... |
MoveAroundAtomAction | ea9fef81-cbcd-4e6d-b787-73e50e7b9027 | mp-1192809 | Move all surrounding atoms within 2.048 angstrom around the center atom at index 17 by [ 1.601 -0.498 2.433] 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... |
MoveAroundAtomAction | 6b71bbc5-6953-41d9-ae1b-dff9e2cec9f0 | mp-989637 | Move all surrounding atoms within 3.514 angstrom around the center atom at index 0 by [ 2.295 0.976 -0.031] 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... |
MoveAroundAtomAction | 2a2f9506-2ea7-48a5-bbad-cf5b77cfb06a | mp-1411320 | Move all surrounding atoms within 3.906 angstrom around the center atom at index 12 by [-1.245 -2.049 -3.66 ] 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... |
MoveAroundAtomAction | 5a2a9372-a413-4c0c-af15-657b7a37c306 | mp-1246013 | Move all surrounding atoms within 3.34 angstrom around the center atom at index 8 by [ 0.104 -1.052 -0.183] 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 ... |
MoveAroundAtomAction | af705b1e-d2ba-4506-88f4-c6b724c41441 | mp-613 | Move all surrounding atoms within 3.208 angstrom around the center atom at index 6 by [ 2.657 1.085 -0.371] 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... |
MoveAroundAtomAction | c5175e96-67fa-4c14-afd3-0b487b6ebe93 | mp-1357031 | Move all surrounding atoms within 3.417 angstrom around the center atom at index 14 by [-1.082 0.295 -1.827] 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... |
MoveAroundAtomAction | 71baca08-4bf6-4906-b62b-457b24bae300 | mp-2230736 | Move all surrounding atoms within 3.573 angstrom around the center atom at index 4 by [ 3.312 0.614 -3.407] 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
_... |
MoveAroundAtomAction | bbd7791b-32f8-421e-b298-2a27ea46c7ca | mp-752888 | Move all surrounding atoms within 3.692 angstrom around the center atom at index 15 by [-2.998 -0.773 2.088] 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... |
MoveAroundAtomAction | 84f89658-e761-4e8a-b6ef-d08cb212b071 | mp-1103256 | Move all surrounding atoms within 3.021 angstrom around the center atom at index 1 by [2.485 1.06 1.674] 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... |
MoveAroundAtomAction | be39ad49-1974-4c76-9a5b-3d9c626ff442 | mp-1233440 | Move all surrounding atoms within 3.387 angstrom around the center atom at index 9 by [0.342 0.656 0.027] 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_... |
MoveAroundAtomAction | aef3b595-e868-4341-a5b2-68ea533c75fe | mp-775903 | Move all surrounding atoms within 2.186 angstrom around the center atom at index 27 by [2.013 1.527 1.211] 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... |
MoveAroundAtomAction | f206561b-94f7-4663-8319-fe3228a0f853 | mp-1233765 | Move all surrounding atoms within 1.497 angstrom around the center atom at index 30 by [-0.441 -2.019 0.288] 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... |
MoveAroundAtomAction | 453b32d5-50e2-4bdb-af3b-4f23d95a84e1 | mp-530953 | Move all surrounding atoms within 2.824 angstrom around the center atom at index 20 by [ 1.574 -0.963 -1.75 ] 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... |
MoveAroundAtomAction | aa9a1fcb-9a52-420f-b857-e158ac377a3d | mp-1233593 | Move all surrounding atoms within 2.774 angstrom around the center atom at index 12 by [-2.443 -1.361 -1.748] 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... |
MoveAroundAtomAction | 483408cd-9a20-44d6-8dd9-f2fa90ceaf0c | mp-1209821 | Move all surrounding atoms within 3.812 angstrom around the center atom at index 13 by [1.659 0.404 0.111] 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_... |
MoveAroundAtomAction | 17e551b9-a20c-4678-9892-4fcdca75aec7 | mp-1200885 | Move all surrounding atoms within 3.779 angstrom around the center atom at index 41 by [-2.15 3.092 -4.13 ] 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... |
MoveAroundAtomAction | 3cbed3ae-e54c-4cca-bf5b-f964914778ce | mp-1213955 | Move all surrounding atoms within 2.604 angstrom around the center atom at index 15 by [-0.339 0.319 0.432] 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... |
MoveAroundAtomAction | 5c235670-0da9-4960-8751-0473369f1761 | mp-43188 | Move all surrounding atoms within 3.319 angstrom around the center atom at index 9 by [-1.071 1.696 2.903] 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... |
MoveAroundAtomAction | fe051826-8f3a-4991-b2e8-b32295c78d16 | mp-27911 | Move all surrounding atoms within 1.918 angstrom around the center atom at index 8 by [ 1.913 -1.221 -4.157] 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 ... |
MoveAroundAtomAction | 93e7f23a-e41e-4e88-8b53-750987996dd9 | mp-1217365 | Move all surrounding atoms within 3.761 angstrom around the center atom at index 2 by [-0.112 -1.093 0.704] 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... |
MoveAroundAtomAction | 5110bc29-4835-4b23-b172-b2c1801d390e | mp-1228099 | Move all surrounding atoms within 3.25 angstrom around the center atom at index 35 by [-1.88 -1.098 2.526] 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_... |
MoveAroundAtomAction | 8ea416ed-8d03-4644-b453-7eb0aa3dfd9e | mp-1195795 | Move all surrounding atoms within 3.299 angstrom around the center atom at index 19 by [-0.942 0.55 -3.392] 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... |
MoveAroundAtomAction | c3fd0421-79ca-4e6c-af0c-9dfd39bc110f | mp-849617 | Move all surrounding atoms within 2.706 angstrom around the center atom at index 22 by [ 1.262 -6.737 -1.666] 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... |
MoveAroundAtomAction | 77c9eeb2-9669-4ba3-8588-fa12d56f610e | mp-1100579 | Move all surrounding atoms within 2.746 angstrom around the center atom at index 13 by [ 0.523 -2.318 -3.893] 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 ... |
MoveAroundAtomAction | 82d9edd5-0bcb-40b0-b664-c2571f0283db | mp-1173638 | Move all surrounding atoms within 3.222 angstrom around the center atom at index 15 by [-1.334 1.593 -1.022] 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... |
MoveAroundAtomAction | 768915ec-bdc5-439d-aec9-99fda85f251a | mp-1211409 | Move all surrounding atoms within 2.664 angstrom around the center atom at index 5 by [-3.564 1.012 -1.284] 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... |
MoveAroundAtomAction | 339a9671-07e0-4b28-8378-832d22c154e5 | mp-1026412 | Move all surrounding atoms within 3.409 angstrom around the center atom at index 10 by [-1.256 0.489 0.247] 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... |
MoveAroundAtomAction | 25a993e9-314c-4c48-a9c3-a56abab95993 | mp-776026 | Move all surrounding atoms within 2.291 angstrom around the center atom at index 38 by [ 0.712 -0.222 -1.032] 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... |
MoveAroundAtomAction | 131951cb-8d06-4c1c-a750-807f3a14e5b6 | mp-1519680 | Move all surrounding atoms within 2.526 angstrom around the center atom at index 15 by [-0.526 -0.881 -3.193] 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 ... |
MoveAroundAtomAction | 8afa7651-de1d-4843-a5b8-fff6b416cc55 | mp-771159 | Move all surrounding atoms within 2.372 angstrom around the center atom at index 11 by [ 2.827 -1.65 -1.298] 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... |
MoveAroundAtomAction | 86ff3c89-1205-4bf3-b526-cfb78652f66b | mp-16136 | Move all surrounding atoms within 3.673 angstrom around the center atom at index 21 by [ 2.319 0.822 -1.683] 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... |
MoveAroundAtomAction | 640d4b94-2d3b-4c90-8a2b-636e3e74acf7 | mp-675042 | Move all surrounding atoms within 2.125 angstrom around the center atom at index 29 by [-0.378 -1.974 -0.632] 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
... |
MoveAroundAtomAction | 09f55720-0973-40eb-8841-16793a586d8b | mp-1103868 | Move all surrounding atoms within 3.751 angstrom around the center atom at index 3 by [ 0.05 -0.629 1.274] 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_... |
MoveAroundAtomAction | 065e5d07-f5e0-4211-9a47-8b024f32c60a | mp-616196 | Move all surrounding atoms within 1.215 angstrom around the center atom at index 13 by [-0.716 -1.503 2.864] 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... |
MoveAroundAtomAction | 52585bc5-2cf7-498c-9275-4b2fb8ba61f8 | mp-559695 | Move all surrounding atoms within 3.266 angstrom around the center atom at index 8 by [2.299 5.405 0.053] 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... |
MoveAroundAtomAction | 11fea6f0-1806-46a3-a9c2-8f936435cf85 | mp-850538 | Move all surrounding atoms within 2.038 angstrom around the center atom at index 2 by [ 0.532 -0.571 0.502] 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... |
MoveAroundAtomAction | e585ce45-c6c4-4603-af2b-4be37f77bb0e | mp-1190089 | Move all surrounding atoms within 3.53 angstrom around the center atom at index 3 by [-1.821 -1.714 0.042] 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... |
MoveAroundAtomAction | e23f3e61-92b3-4d71-8bca-9f491bcda9d6 | mp-1219192 | Move all surrounding atoms within 2.483 angstrom around the center atom at index 3 by [ 0.036 -0.24 -0.541] 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... |
MoveAroundAtomAction | 69fbf67c-464a-4b63-863f-c6dc93325378 | mp-29239 | Move all surrounding atoms within 1.881 angstrom around the center atom at index 6 by [-2.687 -5.172 -0.782] 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... |
MoveAroundAtomAction | 4901605f-8f41-4b0b-a4d1-5a290b5de0a8 | mp-555986 | Move all surrounding atoms within 1.747 angstrom around the center atom at index 10 by [-2.969 -1.43 -0.802] 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
... |
MoveAroundAtomAction | 320e9231-75e3-4824-ab6e-3b0258e1f982 | mp-1223688 | Move all surrounding atoms within 3.976 angstrom around the center atom at index 9 by [ 0.424 -0.109 -5.222] 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
_... |
MoveAroundAtomAction | 97d3af5c-b083-4bbf-ad82-e57a4856a7dc | mp-698063 | Move all surrounding atoms within 3.481 angstrom around the center atom at index 42 by [0.947 1.663 1.854] 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... |
MoveAroundAtomAction | ef4b91be-4c39-48d6-b5f0-ed2f423e5ddc | mp-1226178 | Move all surrounding atoms within 3.315 angstrom around the center atom at index 12 by [4.334 2.197 2.789] 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_... |
MoveAroundAtomAction | b8920e5d-3966-40de-b048-027881459c23 | mp-2219347 | Move all surrounding atoms within 3.781 angstrom around the center atom at index 8 by [-2.057 2.213 -0.734] 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... |
MoveAroundAtomAction | 22a4688d-1fc3-4497-85ba-487038e4870b | mp-757032 | Move all surrounding atoms within 3.337 angstrom around the center atom at index 9 by [ 3.015 -1.621 -0.955] 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... |
MoveAroundAtomAction | b58cb627-1bcd-4e28-8b2d-19c3b757fe81 | mp-1223717 | Move all surrounding atoms within 2.263 angstrom around the center atom at index 2 by [-3.415 0.62 -2.377] 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... |
MoveAroundAtomAction | 624b529a-abf0-43a4-99d2-559c202729e2 | mp-757836 | Move all surrounding atoms within 3.259 angstrom around the center atom at index 13 by [ 2.382 -2.956 -1.902] 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... |
MoveAroundAtomAction | 0a43398b-df9f-4f85-a301-1a04f3642709 | mp-29399 | Move all surrounding atoms within 2.917 angstrom around the center atom at index 0 by [ 3.491 -0.379 3.074] 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... |
MoveAroundAtomAction | 693c1536-a629-464a-b07f-41a83a0341af | mp-1043461 | Move all surrounding atoms within 2.635 angstrom around the center atom at index 43 by [-0.082 1.545 -0.285] 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... |
MoveAroundAtomAction | 58236502-9679-4782-aecc-3f2e9540b0f7 | mp-769705 | Move all surrounding atoms within 3.715 angstrom around the center atom at index 11 by [-0.152 1.018 0.669] 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_... |
MoveAroundAtomAction | b6f82073-6239-4659-be4e-0b46ed0096db | mp-862697 | Move all surrounding atoms within 3.531 angstrom around the center atom at index 0 by [-3.023 3.314 -4.833] 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... |
MoveAroundAtomAction | 9637b863-fdfe-47e6-b473-a568f42e053a | mp-1567262 | Move all surrounding atoms within 2.724 angstrom around the center atom at index 4 by [ 0.742 0.287 -1.811] 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... |
MoveAroundAtomAction | 763215c0-509a-49cc-bae9-80b343179c26 | mp-780766 | Move all surrounding atoms within 3.27 angstrom around the center atom at index 4 by [1.729 1.571 1.668] 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... |
MoveAroundAtomAction | e17f2e4f-2417-4d3e-8088-38345f05e34a | mp-1199851 | Move all surrounding atoms within 3.997 angstrom around the center atom at index 34 by [1.871 0.966 2.57 ] 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... |
MoveAroundAtomAction | 492b96fd-9f86-4c44-bd18-0b1f2ead3c9e | mp-1111085 | Move all surrounding atoms within 2.911 angstrom around the center atom at index 9 by [-0.554 -1.366 0.756] 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_... |
MoveAroundAtomAction | 44e750e8-8093-4edf-b10b-3f582f484f42 | mp-1073789 | Move all surrounding atoms within 2.844 angstrom around the center atom at index 9 by [ 0.522 -1.227 -1.98 ] 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... |
MoveAroundAtomAction | e69b1a4c-0fc8-49a4-b85f-9334f1a60bca | mp-758607 | Move all surrounding atoms within 3.464 angstrom around the center atom at index 9 by [-0.141 2.212 -3.535] 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... |
MoveAroundAtomAction | 6dd53a39-7f4d-4a27-911d-064d5c85c4df | mp-19442 | Move all surrounding atoms within 2.757 angstrom around the center atom at index 12 by [-0.82 -3.201 2.414] 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... |
MoveAroundAtomAction | f1ed0379-cf82-4dac-89b9-5326136715a3 | mp-1027074 | Move all surrounding atoms within 3.817 angstrom around the center atom at index 4 by [-1.52 -4.242 -1.035] 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... |
MoveAroundAtomAction | 5c7e60a8-3e96-45b7-84c6-43cce8bf3776 | mp-556532 | Move all surrounding atoms within 3.3 angstrom around the center atom at index 8 by [-2.437 -3.342 -2.672] 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 ... |
MoveAroundAtomAction | c9936631-9a41-48ee-aaf1-970268332c89 | mp-1193590 | Move all surrounding atoms within 3.427 angstrom around the center atom at index 12 by [1.823 0.619 1.158] 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... |
MoveAroundAtomAction | d53f568f-4d6a-4258-9242-a22d373e033f | mp-1202923 | Move all surrounding atoms within 2.365 angstrom around the center atom at index 74 by [ 2.406 1.835 -0.488] 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... |
MoveAroundAtomAction | f6a620bc-1d79-4b77-ae22-1bc17ccdb42f | mp-1193964 | Move all surrounding atoms within 2.29 angstrom around the center atom at index 5 by [-1.615 2.634 0.697] 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... |
MoveAroundAtomAction | 1d60098f-1041-4b24-b2bc-254a7e24a5c8 | mp-766479 | Move all surrounding atoms within 2.88 angstrom around the center atom at index 30 by [ 1.882 -2.656 -1.027] 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_... |
MoveAroundAtomAction | 92a21550-d48a-4d8b-8434-d5863d86df6e | mp-889216 | Move all surrounding atoms within 1.672 angstrom around the center atom at index 13 by [ 1.11 -1.788 -2.427] 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... |
MoveAroundAtomAction | bd7410e6-6842-4e44-81ae-1f2d91277456 | mp-1222724 | Move all surrounding atoms within 2.633 angstrom around the center atom at index 21 by [-3.164 -1.675 0.092] 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... |
MoveAroundAtomAction | 2b1213fe-d90e-4705-9161-06d2ef246818 | mp-763224 | Move all surrounding atoms within 3.055 angstrom around the center atom at index 20 by [ 0.232 -0.547 -3.518] 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_... |
MoveAroundAtomAction | 35e1c369-8bcc-444d-be1e-09798a08af24 | mp-2230483 | Move all surrounding atoms within 3.115 angstrom around the center atom at index 12 by [0.474 0.009 0.971] 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... |
MoveAroundAtomAction | b3ebe8be-3860-42f2-a96e-b98b38298dd4 | mp-1195793 | Move all surrounding atoms within 3.567 angstrom around the center atom at index 28 by [ 0.415 0.25 -1.348] 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"... |
MoveAroundAtomAction | 034ac87b-ec15-4230-88bc-346e697f839b | mp-1233619 | Move all surrounding atoms within 1.813 angstrom around the center atom at index 8 by [-0.4 -0.329 0.865] 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... |
MoveAroundAtomAction | 3a4871d5-9ed4-41e2-9b59-10bd28732e3a | mp-1234114 | Move all surrounding atoms within 3.172 angstrom around the center atom at index 4 by [ 2.668 0.471 -1.823] 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
_... |
MoveAroundAtomAction | 3a990e2b-c486-45b0-bb7b-9392382c0e73 | mp-753838 | Move all surrounding atoms within 1.783 angstrom around the center atom at index 21 by [ 0.762 1.348 -1.826] 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... |
MoveAroundAtomAction | d9ea8c69-e22a-4728-b8ae-ad29f083476f | mp-861612 | Move all surrounding atoms within 2.601 angstrom around the center atom at index 16 by [ 1.727 -0.967 0.532] 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 ... |
MoveAroundAtomAction | 4eaa34bc-dbda-4bbd-a15a-06e4fd31a7f9 | mp-557634 | Move all surrounding atoms within 2.722 angstrom around the center atom at index 16 by [-0.844 -1.478 -1.601] 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_... |
MoveAroundAtomAction | fe75aabe-7fda-4d52-86ce-76f8fbc7e5b1 | mp-568431 | Move all surrounding atoms within 2.538 angstrom around the center atom at index 12 by [-0.528 0.411 -0.626] 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... |
MoveAroundAtomAction | 0835fd36-d2a8-4103-b4a9-96a5fea82b91 | mp-1520816 | Move all surrounding atoms within 3.82 angstrom around the center atom at index 11 by [-1.979 -1.198 -1.765] 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 ... |
MoveAroundAtomAction | ae4429fb-6cd5-4de5-a2d7-c4a13a3dff2c | mp-557123 | Move all surrounding atoms within 2.697 angstrom around the center atom at index 27 by [-0.391 0.088 0.777] 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 ... |
MoveAroundAtomAction | 00599236-a031-43c1-9403-04b317b690dd | mp-1178407 | Move all surrounding atoms within 2.805 angstrom around the center atom at index 19 by [ 0.634 -0.138 -2.786] 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... |
MoveAroundAtomAction | 495f4869-db95-45f1-b3c2-f078c2521985 | mp-614981 | Move all surrounding atoms within 3.416 angstrom around the center atom at index 11 by [-0.382 -0.032 2.506] 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... |
MoveAroundAtomAction | 1f240e02-de8f-4c44-94db-0b5c2f9fe6bb | mp-19357 | Move all surrounding atoms within 2.619 angstrom around the center atom at index 2 by [ 1.273 -2.542 -2.396] 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
... |
MoveAroundAtomAction | 85e5718e-dc37-4c3c-be92-4ecbfa24a671 | mp-1208360 | Move all surrounding atoms within 1.941 angstrom around the center atom at index 5 by [-0.099 -0.822 1.174] 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... |
MoveAroundAtomAction | 4b9f8a14-2f3c-4c83-bc73-d55ae13b4a87 | mp-1120783 | Move all surrounding atoms within 1.609 angstrom around the center atom at index 46 by [-1.867 0.587 0.6 ] 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"
... |
MoveAroundAtomAction | de83c65b-7a3c-4776-9572-10d5f47bf85e | mp-1237028 | Move all surrounding atoms within 2.066 angstrom around the center atom at index 7 by [ 3.053 -2.038 0.714] 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... |
MoveAroundAtomAction | d6b49158-12b3-40d2-b10f-82519e2324ed | mp-759335 | Move all surrounding atoms within 2.646 angstrom around the center atom at index 51 by [1.000e-03 2.682e+00 6.710e-01] 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... |
MoveAroundAtomAction | 6d4dfc1c-b3d7-456d-b4f3-03cb9e312ba6 | mp-1210947 | Move all surrounding atoms within 3.497 angstrom around the center atom at index 1 by [-1.013 2.51 0.128] 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... |
MoveAroundAtomAction | e730bbcc-c57b-454c-8d57-42c08a90ad8e | mp-1188318 | Move all surrounding atoms within 1.92 angstrom around the center atom at index 7 by [-1.301 -0.858 0.189] 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... |
MoveAroundAtomAction | 8122497c-ae48-4930-9c7e-d36a8fbcd1a9 | mp-1028063 | Move all surrounding atoms within 3.587 angstrom around the center atom at index 5 by [ 0.389 -1.871 0.881] 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... |
MoveAroundAtomAction | cadb4906-fbe1-4267-a7d0-9b92c7c1374d | mp-773047 | Move all surrounding atoms within 3.321 angstrom around the center atom at index 28 by [ 2.641 -1.71 -0.155] 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... |
MoveAroundAtomAction | 6a43ea40-6ab0-493c-ab1c-7c642c350701 | mp-766119 | Move all surrounding atoms within 3.707 angstrom around the center atom at index 5 by [-0.895 1.39 -1.324] 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... |
MoveAroundAtomAction | cd20394d-528e-42e3-a146-389f7b27eff8 | mp-14926 | Move all surrounding atoms within 2.603 angstrom around the center atom at index 20 by [-2.916 0.261 2.866] 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 ... |
MoveAroundAtomAction | 2253a996-6cdc-4001-82ec-1a90156a4bb4 | mp-759828 | Move all surrounding atoms within 3.049 angstrom around the center atom at index 5 by [-2.172 0.626 -1.641] 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... |
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