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 | c463072e-8296-4391-8dc6-267bb8a553f1 | mp-756079 | Move all surrounding atoms within 3.788 angstrom around the center atom at index 7 by [2.141 0.6 0.654] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2F12
_chemical_formula_sum "Li4 Mn2 F12"
_cell_length_a 5.04291432
_cell_length_b 5.04291432
_cell_length_c 9.003661
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000417
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Li4Mn2F12
_chemical_formula_sum "Li4 Mn2 F12"
_cell_length_a 5.04291432
_cell_length_b 5.04291432
_cell_length_c 9.003661
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000417
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | fd827334-fb8d-4dd2-be2b-ebd4ab6d2e5f | mp-1208402 | Move all surrounding atoms within 3.669 angstrom around the center atom at index 13 by [-2.793 3.675 1.909] angstrom in the cif file. | data_image0
_chemical_formula_structural U2Pb2I12
_chemical_formula_sum "U2 Pb2 I12"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888295969... | data_image0
_chemical_formula_structural U2Pb2I12
_chemical_formula_sum "U2 Pb2 I12"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888295969... |
MoveAroundAtomAction | 39cafdae-e8cf-4197-8d18-65ebce183608 | mp-13211 | Move all surrounding atoms within 2.526 angstrom around the center atom at index 4 by [-0.351 -3.474 4.117] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... |
MoveAroundAtomAction | f0d84b1b-b5ca-4436-b492-0653539a4130 | mp-29226 | Move all surrounding atoms within 2.743 angstrom around the center atom at index 28 by [ 2.672 1.367 -2.201] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... |
MoveAroundAtomAction | af86dfbf-3a89-4c0b-8cc0-3447290c5cee | mp-15659 | Move all surrounding atoms within 3.515 angstrom around the center atom at index 6 by [ 0.896 -3.519 -2.082] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb4Pt6
_chemical_formula_sum "Sb4 Pt6"
_cell_length_a 5.34933934
_cell_length_b 6.54087588
_cell_length_c 6.94585597
_cell_angle_alpha 118.09182981
_cell_angle_beta 112.67539311
_cell_angle_gamma 89.99638829
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sb4Pt6
_chemical_formula_sum "Sb4 Pt6"
_cell_length_a 5.34933934
_cell_length_b 6.54087588
_cell_length_c 6.94585597
_cell_angle_alpha 118.09182981
_cell_angle_beta 112.67539311
_cell_angle_gamma 89.99638829
_space_group_name_H-M_a... |
MoveAroundAtomAction | 13105314-7c30-461f-b22f-c8e7b571abef | mp-1079634 | Move all surrounding atoms within 3.493 angstrom around the center atom at index 6 by [ 1.07 -0.34 -0.336] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | d7c10d9d-8e36-40c6-88ee-410d8cad0b83 | mp-1235023 | Move all surrounding atoms within 3.316 angstrom around the center atom at index 1 by [ 1.354 0.235 -1.286] angstrom in the cif file. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... |
MoveAroundAtomAction | 32780d8f-34e8-4277-9096-a527f0faf769 | mp-2230736 | Move all surrounding atoms within 3.976 angstrom around the center atom at index 15 by [0.133 1.025 0.844] 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 | d1a6b191-374d-4d3b-b751-1bb7de846153 | mp-1194859 | Move all surrounding atoms within 2.367 angstrom around the center atom at index 21 by [-1.967 7.377 0.186] angstrom in the cif file. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 7ecc674e-9bd1-4642-a858-e97b57b2d455 | mp-1112917 | Move all surrounding atoms within 3.756 angstrom around the center atom at index 0 by [-1.373 -4.281 0.838] 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 | 74814520-5967-4173-b8d5-66b619f7d84a | mp-754544 | Move all surrounding atoms within 2.012 angstrom around the center atom at index 19 by [-1.914 1.017 2.406] angstrom in the cif file. | data_image0
_chemical_formula_structural K12V4P4C4O28
_chemical_formula_sum "K12 V4 P4 C4 O28"
_cell_length_a 5.69644773
_cell_length_b 9.673654089999998
_cell_length_c 13.990668999999999
_cell_angle_alpha 89.99900283
_cell_angle_beta 90.00185964
_cell_angle_gamma 89.95474... | data_image0
_chemical_formula_structural K12V4P4C4O28
_chemical_formula_sum "K12 V4 P4 C4 O28"
_cell_length_a 5.69644773
_cell_length_b 9.673654089999998
_cell_length_c 13.990668999999999
_cell_angle_alpha 89.99900283
_cell_angle_beta 90.00185964
_cell_angle_gamma 89.95474... |
MoveAroundAtomAction | 1e4dde8a-be00-40ab-a96e-a0193e370ded | mp-2217356 | Move all surrounding atoms within 2.503 angstrom around the center atom at index 3 by [ 0.762 1.462 -0.385] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... |
MoveAroundAtomAction | 296e708f-1650-4063-9581-0018442afc46 | mp-989179 | Move all surrounding atoms within 3.158 angstrom around the center atom at index 22 by [-0.483 -3.138 -0.862] angstrom in the cif file. | data_image0
_chemical_formula_structural Mo8H2S16
_chemical_formula_sum "Mo8 H2 S16"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 Mo8H2S16
_chemical_formula_sum "Mo8 H2 S16"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 | 2f83f083-eb8b-490d-bca7-bb979d72fc68 | mp-558525 | Move all surrounding atoms within 1.993 angstrom around the center atom at index 75 by [-0.162 0.975 -0.178] angstrom in the cif file. | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveAroundAtomAction | b5fefba4-18b1-4e0d-aace-f43b9b451719 | mp-1247690 | Move all surrounding atoms within 3.844 angstrom around the center atom at index 35 by [-1.871 -2.819 -1.782] angstrom in the cif file. | data_image0
_chemical_formula_structural SrCa7Mn8O24
_chemical_formula_sum "Sr1 Ca7 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_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 SrCa7Mn8O24
_chemical_formula_sum "Sr1 Ca7 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_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 | b13c3e71-fe3b-4186-8886-c08479742ca8 | mp-755675 | Move all surrounding atoms within 2.863 angstrom around the center atom at index 7 by [ 1.031 -0.273 1.697] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4AlCr3O8
_chemical_formula_sum "Li4 Al1 Cr3 O8"
_cell_length_a 5.07750464
_cell_length_b 5.915706729999999
_cell_length_c 5.85155662
_cell_angle_alpha 119.64187088
_cell_angle_beta 90.00106798000002
_cell_angle_gamma 73.41573531
... | data_image0
_chemical_formula_structural Li4AlCr3O8
_chemical_formula_sum "Li4 Al1 Cr3 O8"
_cell_length_a 5.07750464
_cell_length_b 5.915706729999999
_cell_length_c 5.85155662
_cell_angle_alpha 119.64187088
_cell_angle_beta 90.00106798000002
_cell_angle_gamma 73.41573531
... |
MoveAroundAtomAction | 5ce92016-d478-447d-8388-7dfa04a95530 | mp-706913 | Move all surrounding atoms within 1.463 angstrom around the center atom at index 31 by [ 1.1 -1.73 0.081] angstrom in the cif file. | data_image0
_chemical_formula_structural Be2H16N4O20
_chemical_formula_sum "Be2 H16 N4 O20"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space_group_n... | data_image0
_chemical_formula_structural Be2H16N4O20
_chemical_formula_sum "Be2 H16 N4 O20"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space_group_n... |
MoveAroundAtomAction | de34199c-e9c4-4f72-81a1-e4136d051039 | mp-1040902 | Move all surrounding atoms within 2.146 angstrom around the center atom at index 9 by [ 1.561 4.764 -0.047] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... |
MoveAroundAtomAction | 9d38873b-f7ab-4a32-80cb-c17a0d7dd2a0 | mp-1041051 | Move all surrounding atoms within 2.536 angstrom around the center atom at index 4 by [-2.657 2.749 -4.311] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6V12O24
_chemical_formula_sum "Ca6 V12 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... | data_image0
_chemical_formula_structural Ca6V12O24
_chemical_formula_sum "Ca6 V12 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... |
MoveAroundAtomAction | 74820317-b7a0-4e17-84db-a3be466f8517 | mp-542493 | Move all surrounding atoms within 3.094 angstrom around the center atom at index 36 by [-2.325 0.335 -3.73 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... |
MoveAroundAtomAction | 43001b86-f1b7-4f71-a39c-9b70e689619c | mp-23137 | Move all surrounding atoms within 3.003 angstrom around the center atom at index 3 by [ 1.136 -4.474 1.862] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YBiO6
_chemical_formula_sum "Ba2 Y1 Bi1 O6"
_cell_length_a 6.16635721
_cell_length_b 6.16635721
_cell_length_c 6.16635721
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Ba2YBiO6
_chemical_formula_sum "Ba2 Y1 Bi1 O6"
_cell_length_a 6.16635721
_cell_length_b 6.16635721
_cell_length_c 6.16635721
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... |
MoveAroundAtomAction | af1915f2-a1df-4794-a12f-193e7443963d | mp-1223688 | Move all surrounding atoms within 3.883 angstrom around the center atom at index 4 by [1.961 2.737 0.276] 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 | edac934a-76f5-4a9d-947c-3460b9a953cb | mp-1522181 | Move all surrounding atoms within 1.935 angstrom around the center atom at index 3 by [-1.939 1.052 -1.174] angstrom in the cif file. | data_image0
_chemical_formula_structural NaLaSe4O12
_chemical_formula_sum "Na1 La1 Se4 O12"
_cell_length_a 6.15485582
_cell_length_b 6.15485582
_cell_length_c 7.40850818
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.01424357
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural NaLaSe4O12
_chemical_formula_sum "Na1 La1 Se4 O12"
_cell_length_a 6.15485582
_cell_length_b 6.15485582
_cell_length_c 7.40850818
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.01424357
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 17e049ed-729c-4974-96f0-28ec49ce2a23 | mp-758131 | Move all surrounding atoms within 3.829 angstrom around the center atom at index 7 by [ 1.825 -3.066 1.807] angstrom in the cif file. | data_image0
_chemical_formula_structural V2P2H14N4O10
_chemical_formula_sum "V2 P2 H14 N4 O10"
_cell_length_a 4.959453
_cell_length_b 6.907673
_cell_length_c 8.562102240000002
_cell_angle_alpha 89.04946141
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural V2P2H14N4O10
_chemical_formula_sum "V2 P2 H14 N4 O10"
_cell_length_a 4.959453
_cell_length_b 6.907673
_cell_length_c 8.562102240000002
_cell_angle_alpha 89.04946141
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveAroundAtomAction | 6c2f7460-5711-4647-8e18-e4a1ff27966f | mp-1103082 | Move all surrounding atoms within 2.955 angstrom around the center atom at index 4 by [2.495 2.272 1.342] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2Co6Ni2B2
_chemical_formula_sum "Sm2 Co6 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm2Co6Ni2B2
_chemical_formula_sum "Sm2 Co6 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | a1dc5fca-8ed4-47f1-9914-39d003a71814 | mp-4338 | Move all surrounding atoms within 3.835 angstrom around the center atom at index 9 by [0.103 4.901 1.085] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Cd2S8
_chemical_formula_sum "Cr4 Cd2 S8"
_cell_length_a 7.2747481
_cell_length_b 7.27475351
_cell_length_c 7.27475428
_cell_angle_alpha 59.99988900999998
_cell_angle_beta 59.99983312
_cell_angle_gamma 59.99973922999999
_space_gr... | data_image0
_chemical_formula_structural Cr4Cd2S8
_chemical_formula_sum "Cr4 Cd2 S8"
_cell_length_a 7.2747481
_cell_length_b 7.27475351
_cell_length_c 7.27475428
_cell_angle_alpha 59.99988900999998
_cell_angle_beta 59.99983312
_cell_angle_gamma 59.99973922999999
_space_gr... |
MoveAroundAtomAction | 8de2faa7-8b96-4af8-87d0-8373c4cb33f3 | mp-1205713 | Move all surrounding atoms within 2.814 angstrom around the center atom at index 3 by [-0.191 -1.309 1.082] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YUO6
_chemical_formula_sum "Ba2 Y1 U1 O6"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Ba2YUO6
_chemical_formula_sum "Ba2 Y1 U1 O6"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
MoveAroundAtomAction | 0be6e817-fe2d-4433-a287-238abe422e2c | mp-772666 | Move all surrounding atoms within 3.196 angstrom around the center atom at index 19 by [-2.236 0.04 -0.273] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... |
MoveAroundAtomAction | 951a54cc-f557-4102-ad5b-06b207e58e7d | mp-640883 | Move all surrounding atoms within 2.902 angstrom around the center atom at index 17 by [-1.876 -3.208 1.518] angstrom in the cif file. | data_image0
_chemical_formula_structural V8Bi8Pb16O48
_chemical_formula_sum "V8 Bi8 Pb16 O48"
_cell_length_a 5.824733
_cell_length_b 7.909258
_cell_length_c 30.358000030000003
_cell_angle_alpha 79.68016401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural V8Bi8Pb16O48
_chemical_formula_sum "V8 Bi8 Pb16 O48"
_cell_length_a 5.824733
_cell_length_b 7.909258
_cell_length_c 30.358000030000003
_cell_angle_alpha 79.68016401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveAroundAtomAction | 932f5e72-abdf-4bfa-91d3-6a311708857d | mp-7998 | Move all surrounding atoms within 2.81 angstrom around the center atom at index 13 by [-0.214 -0.312 2.772] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | 603764d5-aad3-40b7-93f5-06817060960e | mp-768696 | Move all surrounding atoms within 2.764 angstrom around the center atom at index 18 by [ 1.471 0.784 -0.178] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Cr6Fe2O16
_chemical_formula_sum "Li6 Cr6 Fe2 O16"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... | data_image0
_chemical_formula_structural Li6Cr6Fe2O16
_chemical_formula_sum "Li6 Cr6 Fe2 O16"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... |
MoveAroundAtomAction | 8dc69566-9fed-4ad7-b84e-26c061349a50 | mp-9619 | Move all surrounding atoms within 3.637 angstrom around the center atom at index 6 by [-0.453 1.569 -1.966] angstrom in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... |
MoveAroundAtomAction | 4d967ee7-14ed-43e9-a660-f4d06378e1ca | mp-1110571 | Move all surrounding atoms within 2.872 angstrom around the center atom at index 3 by [-1.487 -0.993 4.495] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... |
MoveAroundAtomAction | e0dd0013-f234-41f6-9306-dc54f0cd0f9f | mp-2230574 | Move all surrounding atoms within 2.052 angstrom around the center atom at index 18 by [2.311 1.191 0.631] angstrom in the cif file. | data_image0
_chemical_formula_structural La4MgMo2O12
_chemical_formula_sum "La4 Mg1 Mo2 O12"
_cell_length_a 5.64825642
_cell_length_b 5.9321261199999995
_cell_length_c 8.02016812
_cell_angle_alpha 88.89142471
_cell_angle_beta 92.23505318
_cell_angle_gamma 89.13409609
_spa... | data_image0
_chemical_formula_structural La4MgMo2O12
_chemical_formula_sum "La4 Mg1 Mo2 O12"
_cell_length_a 5.64825642
_cell_length_b 5.9321261199999995
_cell_length_c 8.02016812
_cell_angle_alpha 88.89142471
_cell_angle_beta 92.23505318
_cell_angle_gamma 89.13409609
_spa... |
MoveAroundAtomAction | d9d5b3f9-377b-4b4d-ae6f-73c8a20be707 | mp-1019732 | Move all surrounding atoms within 1.76 angstrom around the center atom at index 5 by [2.787 2.304 0.419] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4Al8O16
_chemical_formula_sum "Eu4 Al8 O16"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu4Al8O16
_chemical_formula_sum "Eu4 Al8 O16"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAroundAtomAction | 9a0f4c5e-8d32-4df6-b500-91bf05605c64 | mp-1103079 | Move all surrounding atoms within 3.412 angstrom around the center atom at index 6 by [-0.415 -1.923 1.643] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Ga4Ni4
_chemical_formula_sum "Sm4 Ga4 Ni4"
_cell_length_a 4.38833465
_cell_length_b 7.01560545
_cell_length_c 7.18198278
_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 Sm4Ga4Ni4
_chemical_formula_sum "Sm4 Ga4 Ni4"
_cell_length_a 4.38833465
_cell_length_b 7.01560545
_cell_length_c 7.18198278
_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 | 6a27add8-d657-4707-95df-1967f156d278 | mp-541140 | Move all surrounding atoms within 3.192 angstrom around the center atom at index 8 by [-3.037 0.528 -1.615] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl12Fe8S16
_chemical_formula_sum "Tl12 Fe8 S16"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_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 Tl12Fe8S16
_chemical_formula_sum "Tl12 Fe8 S16"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_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 | f57b9a36-9ba2-4bdf-a6af-22e2104a04d0 | mp-1205669 | Move all surrounding atoms within 3.799 angstrom around the center atom at index 2 by [-4.169 -0.818 -1.723] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YMoO6
_chemical_formula_sum "Ba2 Y1 Mo1 O6"
_cell_length_a 6.0192691
_cell_length_b 6.019269100000001
_cell_length_c 6.0192691
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Ba2YMoO6
_chemical_formula_sum "Ba2 Y1 Mo1 O6"
_cell_length_a 6.0192691
_cell_length_b 6.019269100000001
_cell_length_c 6.0192691
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
MoveAroundAtomAction | ba9caba7-e3c4-40ff-b334-159e9e128030 | mp-567735 | Move all surrounding atoms within 3.887 angstrom around the center atom at index 13 by [-0.368 1.784 1.744] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd10Si6
_chemical_formula_sum "Nd10 Si6"
_cell_length_a 7.82581624
_cell_length_b 7.82581132
_cell_length_c 8.89325755
_cell_angle_alpha 116.10147128
_cell_angle_beta 116.10077918999998
_cell_angle_gamma 89.99726154
_space_group_na... | data_image0
_chemical_formula_structural Nd10Si6
_chemical_formula_sum "Nd10 Si6"
_cell_length_a 7.82581624
_cell_length_b 7.82581132
_cell_length_c 8.89325755
_cell_angle_alpha 116.10147128
_cell_angle_beta 116.10077918999998
_cell_angle_gamma 89.99726154
_space_group_na... |
MoveAroundAtomAction | b55b50fa-534d-4da9-a104-641bdeef0dc9 | mp-622785 | Move all surrounding atoms within 3.518 angstrom around the center atom at index 14 by [ 0.384 -5.522 -1.237] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16S16N16O16
_chemical_formula_sum "Fe16 S16 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Fe16S16N16O16
_chemical_formula_sum "Fe16 S16 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
MoveAroundAtomAction | 09535ddc-ede0-4ee5-be96-4e12bbd246bb | mp-1075490 | Move all surrounding atoms within 3.347 angstrom around the center atom at index 11 by [-0.494 0.006 1.11 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg10Si12
_chemical_formula_sum "Mg10 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg10Si12
_chemical_formula_sum "Mg10 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAroundAtomAction | 1a460428-5643-4771-9d3c-f6373ea9c05e | mp-559695 | Move all surrounding atoms within 3.165 angstrom around the center atom at index 2 by [ 3.03 -1.175 0.209] 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 | 981291ef-ca19-4496-81a9-0057e4229d11 | mp-1218118 | Move all surrounding atoms within 3.405 angstrom around the center atom at index 13 by [ 3.324 -0.348 3.019] angstrom in the cif file. | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 26d6eb9c-2799-4958-bcf1-32d283859faf | mp-695887 | Move all surrounding atoms within 2.004 angstrom around the center atom at index 8 by [-1.371 2.261 -0.402] angstrom in the cif file. | data_image0
_chemical_formula_structural K3Cu2P4HO14
_chemical_formula_sum "K3 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... | data_image0
_chemical_formula_structural K3Cu2P4HO14
_chemical_formula_sum "K3 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... |
MoveAroundAtomAction | f9882a77-b426-4b0f-be02-d58a8c57f4d3 | mp-1199758 | Move all surrounding atoms within 2.282 angstrom around the center atom at index 2 by [-0.143 -2.372 1.361] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4H32N12O52
_chemical_formula_sum "Fe4 H32 N12 O52"
_cell_length_a 14.96349093
_cell_length_b 7.04897543
_cell_length_c 11.04619457
_cell_angle_alpha 56.76809556
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Fe4H32N12O52
_chemical_formula_sum "Fe4 H32 N12 O52"
_cell_length_a 14.96349093
_cell_length_b 7.04897543
_cell_length_c 11.04619457
_cell_angle_alpha 56.76809556
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveAroundAtomAction | e6401728-f41a-41f9-a632-fef93ab3155a | mp-1217522 | Move all surrounding atoms within 3.441 angstrom around the center atom at index 31 by [-0.922 -0.142 -0.869] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Ta4Ti4O24
_chemical_formula_sum "Tb4 Ta4 Ti4 O24"
_cell_length_a 5.250565
_cell_length_b 7.45333
_cell_length_c 11.090216
_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 Tb4Ta4Ti4O24
_chemical_formula_sum "Tb4 Ta4 Ti4 O24"
_cell_length_a 5.250565
_cell_length_b 7.45333
_cell_length_c 11.090216
_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 | 6e8aa751-8447-40b7-9534-d504d112bfd4 | mp-1518352 | Move all surrounding atoms within 3.375 angstrom around the center atom at index 6 by [ 0.718 4.084 -0.534] angstrom in the cif file. | data_image0
_chemical_formula_structural CaEuZrVO6
_chemical_formula_sum "Ca1 Eu1 Zr1 V1 O6"
_cell_length_a 5.67914791
_cell_length_b 5.67914791
_cell_length_c 5.679147909999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural CaEuZrVO6
_chemical_formula_sum "Ca1 Eu1 Zr1 V1 O6"
_cell_length_a 5.67914791
_cell_length_b 5.67914791
_cell_length_c 5.679147909999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
MoveAroundAtomAction | d208006c-f4e8-4f4e-965c-6e658a9d98cf | mp-1199320 | Move all surrounding atoms within 2.835 angstrom around the center atom at index 3 by [ 0.665 -0.162 0.168] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cr4P8O30
_chemical_formula_sum "Na8 Cr4 P8 O30"
_cell_length_a 9.877316
_cell_length_b 7.865719
_cell_length_c 10.52743636
_cell_angle_alpha 54.48099449
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Na8Cr4P8O30
_chemical_formula_sum "Na8 Cr4 P8 O30"
_cell_length_a 9.877316
_cell_length_b 7.865719
_cell_length_c 10.52743636
_cell_angle_alpha 54.48099449
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 947ad84b-56c8-4bc2-b199-708ce736a48c | mp-30823 | Move all surrounding atoms within 3.416 angstrom around the center atom at index 14 by [ 2.102 -5.184 3.524] angstrom in the cif file. | data_image0
_chemical_formula_structural Pu10Os6
_chemical_formula_sum "Pu10 Os6"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pu10Os6
_chemical_formula_sum "Pu10 Os6"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_name_H-M_... |
MoveAroundAtomAction | 0af7c302-527f-4b5c-96fe-33837531c5bc | mp-1207393 | Move all surrounding atoms within 3.775 angstrom around the center atom at index 12 by [-0.231 1.221 -1.451] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr6Ga10
_chemical_formula_sum "Zr6 Ga10"
_cell_length_a 5.68468778
_cell_length_b 5.684686339999999
_cell_length_c 9.00047642
_cell_angle_alpha 90.00156011999998
_cell_angle_beta 90.00158053
_cell_angle_gamma 102.60473413999999
_sp... | data_image0
_chemical_formula_structural Zr6Ga10
_chemical_formula_sum "Zr6 Ga10"
_cell_length_a 5.68468778
_cell_length_b 5.684686339999999
_cell_length_c 9.00047642
_cell_angle_alpha 90.00156011999998
_cell_angle_beta 90.00158053
_cell_angle_gamma 102.60473413999999
_sp... |
MoveAroundAtomAction | c751e5b1-d565-425e-9158-e9af89211706 | mp-1224145 | Move all surrounding atoms within 3.319 angstrom around the center atom at index 16 by [ 0.5 -1.969 -3.15 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAroundAtomAction | 5862b7d5-4b52-4a27-8121-18c92bce47df | mp-558805 | Move all surrounding atoms within 2.775 angstrom around the center atom at index 1 by [ 0.871 -1.473 2.393] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | 5f5c7f92-baa5-4880-96b9-f3d84891c530 | mp-27187 | Move all surrounding atoms within 3.497 angstrom around the center atom at index 3 by [5.870e-01 2.000e-03 2.989e+00] angstrom in the cif file. | data_image0
_chemical_formula_structural Be8Tl4F20
_chemical_formula_sum "Be8 Tl4 F20"
_cell_length_a 4.62468618
_cell_length_b 8.04797323
_cell_length_c 12.20578461
_cell_angle_alpha 88.51685112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Be8Tl4F20
_chemical_formula_sum "Be8 Tl4 F20"
_cell_length_a 4.62468618
_cell_length_b 8.04797323
_cell_length_c 12.20578461
_cell_angle_alpha 88.51685112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | 447d581e-928a-45dd-8ee7-8f542e883636 | mp-1196630 | Move all surrounding atoms within 3.755 angstrom around the center atom at index 22 by [ 1.332 -1.695 2.459] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveAroundAtomAction | a4b24727-f365-493e-87bf-19c8570a5c4b | mp-1103985 | Move all surrounding atoms within 3.191 angstrom around the center atom at index 4 by [ 0.082 5.477 -0.124] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... |
MoveAroundAtomAction | 2da7df5c-12e0-4159-9d0a-39276e368c9f | mp-26956 | Move all surrounding atoms within 3.426 angstrom around the center atom at index 48 by [-1.777 0.618 -2.292] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 | 612c86ae-cd45-4acf-80c7-f17865e3db5c | mp-1212166 | Move all surrounding atoms within 2.691 angstrom around the center atom at index 11 by [-0.697 -2.387 -4.297] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Eu2W4O16
_chemical_formula_sum "Li2 Eu2 W4 O16"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Eu2W4O16
_chemical_formula_sum "Li2 Eu2 W4 O16"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAroundAtomAction | e18af5c3-4084-4d2b-9921-69899c6b99f9 | mp-765221 | Move all surrounding atoms within 2.414 angstrom around the center atom at index 11 by [ 1.862 -1.517 -3.482] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn12O2F22
_chemical_formula_sum "Mn12 O2 F22"
_cell_length_a 16.214164
_cell_length_b 4.964197
_cell_length_c 5.88786578
_cell_angle_alpha 89.10596181
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn12O2F22
_chemical_formula_sum "Mn12 O2 F22"
_cell_length_a 16.214164
_cell_length_b 4.964197
_cell_length_c 5.88786578
_cell_angle_alpha 89.10596181
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAroundAtomAction | 1910cc4d-817b-4971-92f4-3be640b6e5b3 | mp-27757 | Move all surrounding atoms within 2.903 angstrom around the center atom at index 3 by [-2.968 2.667 0.097] angstrom in the cif file. | data_image0
_chemical_formula_structural Be8B2
_chemical_formula_sum "Be8 B2"
_cell_length_a 3.35699684
_cell_length_b 3.35699684
_cell_length_c 7.00653647
_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 Be8B2
_chemical_formula_sum "Be8 B2"
_cell_length_a 3.35699684
_cell_length_b 3.35699684
_cell_length_c 7.00653647
_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 | 9a5e00c1-c7dc-4b4f-8a2c-a16f06f928a0 | mp-1379435 | Move all surrounding atoms within 3.145 angstrom around the center atom at index 9 by [-1.343 -1.075 -3.5 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... |
MoveAroundAtomAction | 8dba9c2b-4af3-462c-8d64-00b8513f6df1 | mp-1203991 | Move all surrounding atoms within 2.835 angstrom around the center atom at index 17 by [-2.36 -2.738 0.269] angstrom in the cif file. | data_image0
_chemical_formula_structural K2PdS8O26
_chemical_formula_sum "K2 Pd1 S8 O26"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107.9369395... | data_image0
_chemical_formula_structural K2PdS8O26
_chemical_formula_sum "K2 Pd1 S8 O26"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107.9369395... |
MoveAroundAtomAction | 64e9d604-efbd-4c20-8e66-3aa9c12f7ff9 | mp-1218159 | Move all surrounding atoms within 2.621 angstrom around the center atom at index 6 by [-0.723 -1.481 -3.577] angstrom in the cif file. | data_image0
_chemical_formula_structural SrNd2Cu2O6
_chemical_formula_sum "Sr1 Nd2 Cu2 O6"
_cell_length_a 10.24304913
_cell_length_b 10.24304913
_cell_length_c 10.243049130000001
_cell_angle_alpha 158.28571221
_cell_angle_beta 158.28571221
_cell_angle_gamma 30.898240179999... | data_image0
_chemical_formula_structural SrNd2Cu2O6
_chemical_formula_sum "Sr1 Nd2 Cu2 O6"
_cell_length_a 10.24304913
_cell_length_b 10.24304913
_cell_length_c 10.243049130000001
_cell_angle_alpha 158.28571221
_cell_angle_beta 158.28571221
_cell_angle_gamma 30.898240179999... |
MoveAroundAtomAction | bc8c3d09-c624-48b1-bb23-1ac2b93e682b | mp-1049246 | Move all surrounding atoms within 2.124 angstrom around the center atom at index 16 by [-1.385 1.482 0.879] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Zn2Cr2W2O12
_chemical_formula_sum "La2 Zn2 Cr2 W2 O12"
_cell_length_a 5.44903963
_cell_length_b 5.697279
_cell_length_c 7.88062482
_cell_angle_alpha 90.0
_cell_angle_beta 89.14472273999999
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural La2Zn2Cr2W2O12
_chemical_formula_sum "La2 Zn2 Cr2 W2 O12"
_cell_length_a 5.44903963
_cell_length_b 5.697279
_cell_length_c 7.88062482
_cell_angle_alpha 90.0
_cell_angle_beta 89.14472273999999
_cell_angle_gamma 90.0
_space_group_nam... |
MoveAroundAtomAction | 702d245e-2128-4057-8562-3495b046d34b | mp-1110620 | Move all surrounding atoms within 3.675 angstrom around the center atom at index 0 by [-1.915 -2.346 3.399] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... |
MoveAroundAtomAction | 3395acb6-ebc0-4126-aa40-06c4736b33f8 | mp-1112377 | Move all surrounding atoms within 3.239 angstrom around the center atom at index 8 by [-1.901 -1.343 -1.15 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2TaCuCl6
_chemical_formula_sum "K2 Ta1 Cu1 Cl6"
_cell_length_a 7.09717241
_cell_length_b 7.09717268
_cell_length_c 7.09717266
_cell_angle_alpha 59.99999906
_cell_angle_beta 59.99999863
_cell_angle_gamma 59.999998670000004
_space_g... | data_image0
_chemical_formula_structural K2TaCuCl6
_chemical_formula_sum "K2 Ta1 Cu1 Cl6"
_cell_length_a 7.09717241
_cell_length_b 7.09717268
_cell_length_c 7.09717266
_cell_angle_alpha 59.99999906
_cell_angle_beta 59.99999863
_cell_angle_gamma 59.999998670000004
_space_g... |
MoveAroundAtomAction | e660a6d7-60bb-4285-97ec-0321854bc6b7 | mp-27148 | Move all surrounding atoms within 2.233 angstrom around the center atom at index 15 by [ 1.454 -0.457 -4.09 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... |
MoveAroundAtomAction | 9b2835be-5cf7-47f3-84e1-83d4f17e6a63 | mp-1336779 | Move all surrounding atoms within 3.482 angstrom around the center atom at index 49 by [ 6.396 -2.224 -2.372] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... |
MoveAroundAtomAction | bee9ef67-be8c-454f-bcbb-cd2603212bf8 | mp-30385 | Move all surrounding atoms within 3.27 angstrom around the center atom at index 10 by [ 1.535 -0.417 1.735] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAroundAtomAction | 17faad83-ad29-4634-8656-4fa1656bbfdf | mp-849990 | Move all surrounding atoms within 3.197 angstrom around the center atom at index 32 by [-0.083 0.473 -1.339] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn8B8O24
_chemical_formula_sum "Li4 Mn8 B8 O24"
_cell_length_a 5.304354
_cell_length_b 9.14812549
_cell_length_c 11.542364970000001
_cell_angle_alpha 112.63512446000001
_cell_angle_beta 101.95435242999999
_cell_angle_gamma 89.536... | data_image0
_chemical_formula_structural Li4Mn8B8O24
_chemical_formula_sum "Li4 Mn8 B8 O24"
_cell_length_a 5.304354
_cell_length_b 9.14812549
_cell_length_c 11.542364970000001
_cell_angle_alpha 112.63512446000001
_cell_angle_beta 101.95435242999999
_cell_angle_gamma 89.536... |
MoveAroundAtomAction | fee612c0-a910-497a-8ed3-0c8138d09e15 | mp-3536 | Move all surrounding atoms within 2.098 angstrom around the center atom at index 4 by [-0.383 2.287 -0.734] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... |
MoveAroundAtomAction | 902916ff-0e52-49e6-9949-6e2f8f61a53a | mp-2232687 | Move all surrounding atoms within 3.398 angstrom around the center atom at index 10 by [-1.475 0.318 3.91 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgV4SnO12
_chemical_formula_sum "Mg1 V4 Sn1 O12"
_cell_length_a 7.02387619
_cell_length_b 7.02387624
_cell_length_c 5.79328966
_cell_angle_alpha 73.67689791
_cell_angle_beta 106.32311029
_cell_angle_gamma 100.78707567000001
_space_... | data_image0
_chemical_formula_structural MgV4SnO12
_chemical_formula_sum "Mg1 V4 Sn1 O12"
_cell_length_a 7.02387619
_cell_length_b 7.02387624
_cell_length_c 5.79328966
_cell_angle_alpha 73.67689791
_cell_angle_beta 106.32311029
_cell_angle_gamma 100.78707567000001
_space_... |
MoveAroundAtomAction | cec83f0f-c2b4-49d5-994b-0d1e19a8bffa | mp-606949 | Move all surrounding atoms within 3.226 angstrom around the center atom at index 9 by [-2.366 -0.611 3.089] angstrom in the cif file. | data_image0
_chemical_formula_structural C12
_chemical_formula_sum "C12"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural C12
_chemical_formula_sum "C12"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | 439e306d-91b6-4d7b-a2ee-c6156f954a3f | mp-1207705 | Move all surrounding atoms within 3.537 angstrom around the center atom at index 14 by [-1.541 -2.116 0.763] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAroundAtomAction | d7c52354-95ac-423e-950f-279b09f35915 | mp-1210531 | Move all surrounding atoms within 3.697 angstrom around the center atom at index 16 by [-1.947 0.09 -0.315] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr14Br6O36
_chemical_formula_sum "Pr14 Br6 O36"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Pr14Br6O36
_chemical_formula_sum "Pr14 Br6 O36"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name_H-M_a... |
MoveAroundAtomAction | 17a5561c-48b3-4bca-ab19-cb48374a8703 | mp-627601 | Move all surrounding atoms within 2.975 angstrom around the center atom at index 0 by [ 0.734 4.027 -2.499] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4Sb4S8
_chemical_formula_sum "Ag4 Sb4 S8"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_name_H... | data_image0
_chemical_formula_structural Ag4Sb4S8
_chemical_formula_sum "Ag4 Sb4 S8"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_name_H... |
MoveAroundAtomAction | 42787087-49d0-4e18-b128-6892b881aa2b | mp-1111944 | Move all surrounding atoms within 2.712 angstrom around the center atom at index 8 by [-2.138 1.154 -0.274] angstrom in the cif file. | data_image0
_chemical_formula_structural K2InAuF6
_chemical_formula_sum "K2 In1 Au1 F6"
_cell_length_a 6.44079808
_cell_length_b 6.440798080000001
_cell_length_c 6.4407980799999995
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... | data_image0
_chemical_formula_structural K2InAuF6
_chemical_formula_sum "K2 In1 Au1 F6"
_cell_length_a 6.44079808
_cell_length_b 6.440798080000001
_cell_length_c 6.4407980799999995
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... |
MoveAroundAtomAction | a70cb798-f2b2-4929-b518-44bfe6150697 | mp-530 | Move all surrounding atoms within 3.383 angstrom around the center atom at index 10 by [-3.292 -0.392 3.162] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd8Sb6
_chemical_formula_sum "Nd8 Sb6"
_cell_length_a 8.24091983
_cell_length_b 8.24091861
_cell_length_c 8.24091918
_cell_angle_alpha 109.47121951
_cell_angle_beta 109.47121647
_cell_angle_gamma 109.47122773
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nd8Sb6
_chemical_formula_sum "Nd8 Sb6"
_cell_length_a 8.24091983
_cell_length_b 8.24091861
_cell_length_c 8.24091918
_cell_angle_alpha 109.47121951
_cell_angle_beta 109.47121647
_cell_angle_gamma 109.47122773
_space_group_name_H-M_... |
MoveAroundAtomAction | e76f3034-bb24-4a74-822e-5af87198e98a | mp-1208318 | Move all surrounding atoms within 3.1 angstrom around the center atom at index 5 by [-1.617 2.832 -1.404] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Si4Pt8
_chemical_formula_sum "Tb4 Si4 Pt8"
_cell_length_a 5.53302783
_cell_length_b 6.91622294
_cell_length_c 7.32087111
_cell_angle_alpha 89.99976744
_cell_angle_beta 89.9994296
_cell_angle_gamma 89.9999684
_space_group_name_H-... | data_image0
_chemical_formula_structural Tb4Si4Pt8
_chemical_formula_sum "Tb4 Si4 Pt8"
_cell_length_a 5.53302783
_cell_length_b 6.91622294
_cell_length_c 7.32087111
_cell_angle_alpha 89.99976744
_cell_angle_beta 89.9994296
_cell_angle_gamma 89.9999684
_space_group_name_H-... |
MoveAroundAtomAction | 63c2fd7c-60e6-4740-b420-f8d5979cb649 | mp-10834 | Move all surrounding atoms within 3.518 angstrom around the center atom at index 2 by [-2.46 2.391 -2.512] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8
_chemical_formula_sum "Rb2 Nd4 Cu2 S8"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8
_chemical_formula_sum "Rb2 Nd4 Cu2 S8"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 7d40fb99-ae3e-40eb-958d-f6975f9525f6 | mp-540267 | Move all surrounding atoms within 1.712 angstrom around the center atom at index 2 by [ 0.684 -1.056 -0.047] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... |
MoveAroundAtomAction | 5641cf6e-8cf7-44f4-93ff-36aba2650a93 | mp-757177 | Move all surrounding atoms within 3.735 angstrom around the center atom at index 6 by [ 0.171 -2.291 -1.077] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Cu2S8
_chemical_formula_sum "Li12 Cu2 S8"
_cell_length_a 7.990974
_cell_length_b 7.990974
_cell_length_c 5.678244
_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 Li12Cu2S8
_chemical_formula_sum "Li12 Cu2 S8"
_cell_length_a 7.990974
_cell_length_b 7.990974
_cell_length_c 5.678244
_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 | 1383a9b4-f8ff-4296-9c7a-f4fcfe9e5348 | mp-1194136 | Move all surrounding atoms within 3.473 angstrom around the center atom at index 12 by [-3.648 -1.322 -1.238] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti6Ga16Co7
_chemical_formula_sum "Ti6 Ga16 Co7"
_cell_length_a 8.35454299
_cell_length_b 8.35454299
_cell_length_c 8.35454299
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ti6Ga16Co7
_chemical_formula_sum "Ti6 Ga16 Co7"
_cell_length_a 8.35454299
_cell_length_b 8.35454299
_cell_length_c 8.35454299
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
MoveAroundAtomAction | 564de14d-47e7-4cc1-853c-ea43e87ff013 | mp-1042875 | Move all surrounding atoms within 2.411 angstrom around the center atom at index 20 by [ 1.638 0.211 -0.523] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4As8O28
_chemical_formula_sum "Mn4 As8 O28"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn4As8O28
_chemical_formula_sum "Mn4 As8 O28"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | c0177714-c016-41a0-b3cd-4bba5760a02a | mp-20268 | Move all surrounding atoms within 3.906 angstrom around the center atom at index 5 by [-1.315 0.196 -3.206] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... |
MoveAroundAtomAction | c0817acb-1d3d-4e1f-9bdc-76eac873ded6 | mp-1175472 | Move all surrounding atoms within 2.429 angstrom around the center atom at index 22 by [1.251 0.387 3.608] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.929473
_cell_length_b 10.104921899999999
_cell_length_c 10.657468350000002
_cell_angle_alpha 113.67183449
_cell_angle_beta 96.31317624
_cell_angle_gamma 91.00675862
_sp... | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.929473
_cell_length_b 10.104921899999999
_cell_length_c 10.657468350000002
_cell_angle_alpha 113.67183449
_cell_angle_beta 96.31317624
_cell_angle_gamma 91.00675862
_sp... |
MoveAroundAtomAction | 9bcd6108-f9b6-4df5-84ce-1ae6a71791e4 | mp-756744 | Move all surrounding atoms within 3.674 angstrom around the center atom at index 15 by [-1.000e-03 4.000e-02 2.737e+00] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... |
MoveAroundAtomAction | ce0d7ba9-8b5d-47c8-a93c-1dd4cfdd9268 | mp-694554 | Move all surrounding atoms within 1.616 angstrom around the center atom at index 19 by [ 1.533 -2.859 -1.681] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 0ad04f89-5bfa-45fc-8e9c-7b4fb4231ff7 | mp-555962 | Move all surrounding atoms within 2.145 angstrom around the center atom at index 25 by [ 2.947 -0.682 -0.633] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mo4As4O24
_chemical_formula_sum "Li4 Mo4 As4 O24"
_cell_length_a 8.706939
_cell_length_b 5.233513
_cell_length_c 10.498664750000001
_cell_angle_alpha 84.81432494
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Mo4As4O24
_chemical_formula_sum "Li4 Mo4 As4 O24"
_cell_length_a 8.706939
_cell_length_b 5.233513
_cell_length_c 10.498664750000001
_cell_angle_alpha 84.81432494
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveAroundAtomAction | 2205f3c2-e63d-4f8e-92fc-b2f37b04e7b1 | mp-1308402 | Move all surrounding atoms within 2.941 angstrom around the center atom at index 19 by [-5.458 0.741 -1.046] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe6Te2O16
_chemical_formula_sum "Li4 Fe6 Te2 O16"
_cell_length_a 6.06333119
_cell_length_b 6.1395649400000005
_cell_length_c 10.50708889
_cell_angle_alpha 106.15201001
_cell_angle_beta 89.82988352000001
_cell_angle_gamma 61.09403... | data_image0
_chemical_formula_structural Li4Fe6Te2O16
_chemical_formula_sum "Li4 Fe6 Te2 O16"
_cell_length_a 6.06333119
_cell_length_b 6.1395649400000005
_cell_length_c 10.50708889
_cell_angle_alpha 106.15201001
_cell_angle_beta 89.82988352000001
_cell_angle_gamma 61.09403... |
MoveAroundAtomAction | ff5c1656-b9b8-4fd3-9b85-64513c104d85 | mp-1176443 | Move all surrounding atoms within 2.026 angstrom around the center atom at index 25 by [-5.243 -0.75 -2.643] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Fe4B4O16
_chemical_formula_sum "Mn4 Fe4 B4 O16"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_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 Mn4Fe4B4O16
_chemical_formula_sum "Mn4 Fe4 B4 O16"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_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 | f7cc01f8-e91b-418b-bff9-9844331488e9 | mp-637866 | Move all surrounding atoms within 3.32 angstrom around the center atom at index 12 by [ 2.458 -0.391 -0.73 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc9Ni5Ge8
_chemical_formula_sum "Sc9 Ni5 Ge8"
_cell_length_a 11.59931793
_cell_length_b 11.59931793
_cell_length_c 11.59931793
_cell_angle_alpha 160.52948716
_cell_angle_beta 133.95113753999996
_cell_angle_gamma 50.442088160000004
... | data_image0
_chemical_formula_structural Sc9Ni5Ge8
_chemical_formula_sum "Sc9 Ni5 Ge8"
_cell_length_a 11.59931793
_cell_length_b 11.59931793
_cell_length_c 11.59931793
_cell_angle_alpha 160.52948716
_cell_angle_beta 133.95113753999996
_cell_angle_gamma 50.442088160000004
... |
MoveAroundAtomAction | a4e26f51-a0d0-4e6b-af3d-daa210e98fe2 | mp-30447 | Move all surrounding atoms within 3.91 angstrom around the center atom at index 23 by [-2.859 0.118 -2.137] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... |
MoveAroundAtomAction | dc8dc351-83cf-41ca-93a3-7516e299c204 | mp-608595 | Move all surrounding atoms within 2.849 angstrom around the center atom at index 8 by [-1.555 1.066 1.686] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Br4O12
_chemical_formula_sum "Na4 Br4 O12"
_cell_length_a 7.53683031
_cell_length_b 7.7492853
_cell_length_c 7.387425299999999
_cell_angle_alpha 89.94961561
_cell_angle_beta 89.69588643
_cell_angle_gamma 89.80975002000001
_space... | data_image0
_chemical_formula_structural Na4Br4O12
_chemical_formula_sum "Na4 Br4 O12"
_cell_length_a 7.53683031
_cell_length_b 7.7492853
_cell_length_c 7.387425299999999
_cell_angle_alpha 89.94961561
_cell_angle_beta 89.69588643
_cell_angle_gamma 89.80975002000001
_space... |
MoveAroundAtomAction | 0e952034-901a-4256-8b47-3dd531798046 | mp-27897 | Move all surrounding atoms within 2.845 angstrom around the center atom at index 26 by [ 0.177 -1.105 -0.131] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4N8O16
_chemical_formula_sum "Ba4 N8 O16"
_cell_length_a 6.898551
_cell_length_b 7.830487
_cell_length_c 8.466593
_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 Ba4N8O16
_chemical_formula_sum "Ba4 N8 O16"
_cell_length_a 6.898551
_cell_length_b 7.830487
_cell_length_c 8.466593
_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 | f6633688-d96e-4a10-aa0b-ed9f0a26fee8 | mp-1029743 | Move all surrounding atoms within 3.876 angstrom around the center atom at index 13 by [-0.112 -0.963 -0.429] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 | ea50a6f2-4fc2-43a8-8280-eee0952820e6 | mp-831268 | Move all surrounding atoms within 3.489 angstrom around the center atom at index 22 by [ 0.991 1.068 -0.175] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2H24S4N4O20
_chemical_formula_sum "Mn2 H24 S4 N4 O20"
_cell_length_a 5.441139
_cell_length_b 6.252487
_cell_length_c 15.522820110000001
_cell_angle_alpha 87.56291691
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Mn2H24S4N4O20
_chemical_formula_sum "Mn2 H24 S4 N4 O20"
_cell_length_a 5.441139
_cell_length_b 6.252487
_cell_length_c 15.522820110000001
_cell_angle_alpha 87.56291691
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAroundAtomAction | f13c964c-af50-490f-ae6f-25440791ed8f | mp-24473 | Move all surrounding atoms within 3.069 angstrom around the center atom at index 15 by [-3.51 -4.287 -0.504] angstrom in the cif file. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | f593af3d-9902-49be-84a5-d649d804bfd7 | mp-1078810 | Move all surrounding atoms within 3.397 angstrom around the center atom at index 5 by [-0.724 -1.01 -0.09 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 | 5e6318b3-9556-4cf4-8c5d-253c28379ba8 | mp-1033833 | Move all surrounding atoms within 3.991 angstrom around the center atom at index 7 by [ 0.546 -0.545 2.895] angstrom in the cif file. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... |
MoveAroundAtomAction | 0213d624-dd6d-4488-88eb-e0da65c7a0f3 | mp-9901 | Move all surrounding atoms within 3.92 angstrom around the center atom at index 2 by [-1.461 -0.247 2.918] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc6Co4Si6
_chemical_formula_sum "Sc6 Co4 Si6"
_cell_length_a 5.34130515
_cell_length_b 5.34130515
_cell_length_c 12.802442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87448708
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sc6Co4Si6
_chemical_formula_sum "Sc6 Co4 Si6"
_cell_length_a 5.34130515
_cell_length_b 5.34130515
_cell_length_c 12.802442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87448708
_space_group_name_H-M_alt "P ... |
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