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 |
|---|---|---|---|---|---|
InsertBetweenAtomsAction | 6dbcfd52-267a-41b6-84ee-9de54d17cb11 | mp-1035479 | Insert a Bk atom in the line between atoms at indices 18 and 20, and the inserted atom must be 2.48 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural RbLiMg14O15
_chemical_formula_sum "Rb1 Li1 Mg14 O15"
_cell_length_a 4.204973
_cell_length_b 8.266132
_cell_length_c 10.351018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural RbLiMg14O15Bk
_chemical_formula_sum "Rb1 Li1 Mg14 O15 Bk1"
_cell_length_a 4.204973
_cell_length_b 8.266132
_cell_length_c 10.351018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | a23cff50-8db1-4a21-a80d-a6134123e3e4 | mp-1207356 | Insert a Gd atom in the line between atoms at indices 0 and 8, and the inserted atom must be 2.13 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural RbTm3O6
_chemical_formula_sum "Rb1 Tm3 O6"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural RbTm3O6Gd
_chemical_formula_sum "Rb1 Tm3 O6 Gd1"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ee28e527-78cd-47df-96c3-49a0a777a389 | mp-1200969 | Insert a Rh atom in the line between atoms at indices 42 and 57, and the inserted atom must be 2.85 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_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 B12Pb12N4O40Rh
_chemical_formula_sum "B12 Pb12 N4 O40 Rh1"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 3184a382-fa9f-401c-92dc-49d7422c4d21 | mp-1237178 | Insert a Pb atom in the line between atoms at indices 8 and 6, and the inserted atom must be 2.51 angstrom from atom at 8 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 Hf3NiF6Pb
_chemical_formula_sum "Hf3 Ni1 F6 Pb1"
_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
... |
InsertBetweenAtomsAction | 86881030-ff3d-4d37-9eae-aaeab017f1ae | mp-28408 | Insert a Tl atom in the line between atoms at indices 0 and 16, and the inserted atom must be 4.00 angstrom from atom at 0 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 K4Tc4Cl12Tl
_chemical_formula_sum "K4 Tc4 Cl12 Tl1"
_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 118.290123829... |
InsertBetweenAtomsAction | b07c8aaa-c204-4a29-8596-5f2ef0c28932 | mp-1021403 | Insert a Cf atom in the line between atoms at indices 9 and 7, and the inserted atom must be 0.96 angstrom from atom at 9 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 Li2Mg12Sn2Cf
_chemical_formula_sum "Li2 Mg12 Sn2 Cf1"
_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"
_... |
InsertBetweenAtomsAction | f21cda82-d167-42c6-80d6-eb8cbb880832 | mp-20250 | Insert a Ag atom in the line between atoms at indices 0 and 8, and the inserted atom must be 5.45 angstrom from atom at 0 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 Pd8S8Ag
_chemical_formula_sum "Pd8 S8 Ag1"
_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_g... |
InsertBetweenAtomsAction | 772f396e-36dc-49ca-afac-a47b84ca09c6 | mp-1352636 | Insert a Re atom in the line between atoms at indices 36 and 33, and the inserted atom must be 1.02 angstrom from atom at 36 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 Y4Cr12O36Re
_chemical_formula_sum "Y4 Cr12 O36 Re1"
_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_n... |
InsertBetweenAtomsAction | 95c147e5-8495-4a95-9350-2f1be7fdd2d0 | mp-1112917 | Insert a V atom in the line between atoms at indices 1 and 5, and the inserted atom must be 1.46 angstrom from atom at 1 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 Cs2ErCuCl6V
_chemical_formula_sum "Cs2 Er1 Cu1 Cl6 V1"
_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 59.9999999... |
InsertBetweenAtomsAction | 20f41b00-843c-4021-aab8-38ff570ac897 | mp-1247259 | Insert a Re atom in the line between atoms at indices 10 and 5, and the inserted atom must be 0.56 angstrom from atom at 10 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 Ca6Rh2N6Re
_chemical_formula_sum "Ca6 Rh2 N6 Re1"
_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... |
InsertBetweenAtomsAction | 109c0eac-9e08-4d94-a16f-4ed43accb606 | mp-1173764 | Insert a F atom in the line between atoms at indices 27 and 4, and the inserted atom must be 2.72 angstrom from atom at 27 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 Na5Ce3Ti6Nb2O24F
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24 F1"
_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 90.044704710... |
InsertBetweenAtomsAction | c83537d5-696f-47e7-aa18-21f846b6cb65 | mp-1196133 | Insert a Ds atom in the line between atoms at indices 39 and 53, and the inserted atom must be 4.87 angstrom from atom at 39 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 U8P4Cl44O4Ds
_chemical_formula_sum "U8 P4 Cl44 O4 Ds1"
_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"
_... |
InsertBetweenAtomsAction | 304cde24-a55b-4255-bd44-ad37efd37162 | mp-1192809 | Insert a I atom in the line between atoms at indices 14 and 15, and the inserted atom must be 4.71 angstrom from atom at 14 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 Ag4N12O12I
_chemical_formula_sum "Ag4 N12 O12 I1"
_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"
_spac... |
InsertBetweenAtomsAction | efe393c7-53cc-4073-a89a-99a5e1b115b8 | mp-989637 | Insert a Fm atom in the line between atoms at indices 7 and 9, and the inserted atom must be 1.54 angstrom from atom at 7 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 Ba4Re4N12Fm
_chemical_formula_sum "Ba4 Re4 N12 Fm1"
_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
... |
InsertBetweenAtomsAction | b47b5dec-0a07-455e-8163-0fef11e63bc1 | mp-1411320 | Insert a Tm atom in the line between atoms at indices 2 and 3, and the inserted atom must be 2.50 angstrom from atom at 2 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 Y2V4O8Tm
_chemical_formula_sum "Y2 V4 O8 Tm1"
_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
... |
InsertBetweenAtomsAction | 5b3ff70e-69f4-4174-ae99-5ad12c9d0209 | mp-1246013 | Insert a Se atom in the line between atoms at indices 6 and 0, and the inserted atom must be 0.57 angstrom from atom at 6 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 V2C3N6Se
_chemical_formula_sum "V2 C3 N6 Se1"
_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... |
InsertBetweenAtomsAction | 4f96c871-0c19-49f1-becd-704cfe71e3f7 | mp-613 | Insert a I atom in the line between atoms at indices 2 and 7, and the inserted atom must be 1.84 angstrom from atom at 2 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 Te4Pd6I
_chemical_formula_sum "Te4 Pd6 I1"
_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 ... |
InsertBetweenAtomsAction | 4e002068-e378-4214-91fb-d0d0987c2d09 | mp-1357031 | Insert a Tl atom in the line between atoms at indices 8 and 26, and the inserted atom must be 3.06 angstrom from atom at 8 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 Nb6Tl2Cu2Cl18Tl
_chemical_formula_sum "Nb6 Tl3 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 96.11559... |
InsertBetweenAtomsAction | a5a9ea6e-ecfe-4a47-b930-a6233ef0ba0e | mp-2230736 | Insert a Ce atom in the line between atoms at indices 15 and 0, and the inserted atom must be 2.62 angstrom from atom at 15 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 Rb4MgV4O10Ce
_chemical_formula_sum "Rb4 Mg1 V4 O10 Ce1"
_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 89.23265963000... |
InsertBetweenAtomsAction | d479b186-e6d1-4d97-9b3f-6e85ec43e582 | mp-752888 | Insert a Po atom in the line between atoms at indices 7 and 5, and the inserted atom must be 1.51 angstrom from atom at 7 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 Li4Cu2Si2O8Po
_chemical_formula_sum "Li4 Cu2 Si2 O8 Po1"
_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_... |
InsertBetweenAtomsAction | 1901981d-4f16-4510-bd04-fe29c7c9f809 | mp-1103256 | Insert a Ts atom in the line between atoms at indices 11 and 2, and the inserted atom must be 0.50 angstrom from atom at 11 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 Fe4Sb4Se4Ts
_chemical_formula_sum "Fe4 Sb4 Se4 Ts1"
_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 ... |
InsertBetweenAtomsAction | c45d8e8a-8967-47b0-904c-f7635ad3a34f | mp-1233440 | Insert a Cs atom in the line between atoms at indices 31 and 27, and the inserted atom must be 1.42 angstrom from atom at 31 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 MgGa4P6H6O18Cs
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18 Cs1"
_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_nam... |
InsertBetweenAtomsAction | 59e83af8-60a0-4fc7-a373-b6fad892655a | mp-775903 | Insert a Se atom in the line between atoms at indices 6 and 17, and the inserted atom must be 3.00 angstrom from atom at 6 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 Li8Mn4P8O28Se
_chemical_formula_sum "Li8 Mn4 P8 O28 Se1"
_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
... |
InsertBetweenAtomsAction | d39f1dbf-b80c-46b3-8f80-64eb6d7c7051 | mp-1233765 | Insert a Ga atom in the line between atoms at indices 12 and 4, and the inserted atom must be 0.65 angstrom from atom at 12 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 MgH20Br4N4O4Ga
_chemical_formula_sum "Mg1 H20 Br4 N4 O4 Ga1"
_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 97.772341... |
InsertBetweenAtomsAction | ebb507eb-cf7a-4de4-a55b-ee75227b4c4f | mp-530953 | Insert a Re atom in the line between atoms at indices 63 and 30, and the inserted atom must be 3.73 angstrom from atom at 63 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 Ho16Ti8O40Re
_chemical_formula_sum "Ho16 Ti8 O40 Re1"
_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
_s... |
InsertBetweenAtomsAction | 9c8de8f4-57b5-416a-a75c-fa0cff4207fb | mp-1233593 | Insert a Si atom in the line between atoms at indices 14 and 3, and the inserted atom must be 0.76 angstrom from atom at 14 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 Ho2MgAg2W4O16Si
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16 Si1"
_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 120.0378... |
InsertBetweenAtomsAction | b44bf988-6382-4099-bc6e-23c0dfc978af | mp-1209821 | Insert a Sm atom in the line between atoms at indices 5 and 3, and the inserted atom must be 2.72 angstrom from atom at 5 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 Np4Ge4O8Sm
_chemical_formula_sum "Np4 Ge4 O8 Sm1"
_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... |
InsertBetweenAtomsAction | c9f7d5c1-ed67-4fb8-9ae9-79e4acbb805b | mp-1200885 | Insert a Os atom in the line between atoms at indices 30 and 42, and the inserted atom must be 5.56 angstrom from atom at 30 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 Y16C28Os
_chemical_formula_sum "Y16 C28 Os1"
_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... |
InsertBetweenAtomsAction | 005d16a5-85f5-432f-8644-a11b7addac85 | mp-1213955 | Insert a As atom in the line between atoms at indices 12 and 15, and the inserted atom must be 5.71 angstrom from atom at 12 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 Cd4N4O20As
_chemical_formula_sum "Cd4 N4 O20 As1"
_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"
_spac... |
InsertBetweenAtomsAction | 5bd84dd3-5668-4f5f-a3ca-0c38e4cd6ebe | mp-43188 | Insert a Xe atom in the line between atoms at indices 43 and 6, and the inserted atom must be 2.81 angstrom from atom at 43 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 Na8BeAl4Si7Br2O24Xe
_chemical_formula_sum "Na8 Be1 Al4 Si7 Br2 O24 Xe1"
_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... |
InsertBetweenAtomsAction | 3af01c82-95a9-4352-aae2-f584a48777a4 | mp-27911 | Insert a P atom in the line between atoms at indices 5 and 6, and the inserted atom must be 0.82 angstrom from atom at 5 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 Bi4As4O16P
_chemical_formula_sum "Bi4 As4 O16 P1"
_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_... |
InsertBetweenAtomsAction | 72a0925d-ffa3-4947-a800-b59bb6bb54d9 | mp-1217365 | Insert a Ga atom in the line between atoms at indices 11 and 1, and the inserted atom must be 2.38 angstrom from atom at 11 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 ThZr2U2O10Ga
_chemical_formula_sum "Th1 Zr2 U2 O10 Ga1"
_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 14.07... |
InsertBetweenAtomsAction | ce3d59ec-b589-4052-90bf-3e949a1faa70 | mp-1228099 | Insert a Fr atom in the line between atoms at indices 22 and 33, and the inserted atom must be 4.53 angstrom from atom at 22 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 Ba6Al6F30Fr
_chemical_formula_sum "Ba6 Al6 F30 Fr1"
_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
_... |
InsertBetweenAtomsAction | e29f32f6-b822-439a-8e42-c6f2a4efec8b | mp-1195795 | Insert a Ta atom in the line between atoms at indices 23 and 1, and the inserted atom must be 15.99 angstrom from atom at 23 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 La4Y11S22Ta
_chemical_formula_sum "La4 Y11 S22 Ta1"
_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
_s... |
InsertBetweenAtomsAction | ece79c31-d662-4d42-bed4-e2bc1736852c | mp-849617 | Insert a Te atom in the line between atoms at indices 4 and 34, and the inserted atom must be 2.30 angstrom from atom at 4 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 Li4Fe8B8O24Te
_chemical_formula_sum "Li4 Fe8 B8 O24 Te1"
_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
_s... |
InsertBetweenAtomsAction | f711834a-d7a7-4a58-9a85-1c765ef4021a | mp-1100579 | Insert a Zr atom in the line between atoms at indices 1 and 2, and the inserted atom must be 2.09 angstrom from atom at 1 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 Li9Mn2Co5O16Zr
_chemical_formula_sum "Li9 Mn2 Co5 O16 Zr1"
_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_... |
InsertBetweenAtomsAction | 0eae9f39-097f-4d3b-ab05-20e95da148db | mp-1173638 | Insert a Th atom in the line between atoms at indices 16 and 12, and the inserted atom must be 2.38 angstrom from atom at 16 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 Sr10CuRu4O20Th
_chemical_formula_sum "Sr10 Cu1 Ru4 O20 Th1"
_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... |
InsertBetweenAtomsAction | 1e180c66-1963-467e-a40f-d40d546476ac | mp-1211409 | Insert a Sr atom in the line between atoms at indices 38 and 40, and the inserted atom must be 1.22 angstrom from atom at 38 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 K4Tb4Mo8O32Sr
_chemical_formula_sum "K4 Tb4 Mo8 O32 Sr1"
_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"... |
InsertBetweenAtomsAction | 58efd446-fe45-4d59-9761-a160c01e1b57 | mp-1026412 | Insert a C atom in the line between atoms at indices 8 and 1, and the inserted atom must be 8.08 angstrom from atom at 8 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 BaMg14SnC
_chemical_formula_sum "Ba1 Mg14 Sn1 C1"
_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-... |
InsertBetweenAtomsAction | 47a4df86-0925-4e45-ac12-b0d57e318c2e | mp-776026 | Insert a N atom in the line between atoms at indices 17 and 10, and the inserted atom must be 1.88 angstrom from atom at 17 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 Li8Fe8F24N
_chemical_formula_sum "Li8 Fe8 F24 N1"
_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... |
InsertBetweenAtomsAction | cee735bc-f584-41d5-9a2a-96c96f71606b | mp-1519680 | Insert a Gd atom in the line between atoms at indices 9 and 5, and the inserted atom must be 3.18 angstrom from atom at 9 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 NaLaTi4O12Gd
_chemical_formula_sum "Na1 La1 Ti4 O12 Gd1"
_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... |
InsertBetweenAtomsAction | 0b94d1b4-a7b5-4efa-832a-71cc19b5ee95 | mp-771159 | Insert a Th atom in the line between atoms at indices 26 and 18, and the inserted atom must be 2.21 angstrom from atom at 26 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 Li4V6W2O16Th
_chemical_formula_sum "Li4 V6 W2 O16 Th1"
_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 ... |
InsertBetweenAtomsAction | 6fa71228-a253-4c4e-9bde-8b5a1087002d | mp-16136 | Insert a Fr atom in the line between atoms at indices 17 and 8, and the inserted atom must be 4.64 angstrom from atom at 17 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 Sr3TaGa3Si2O14Fr
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14 Fr1"
_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_g... |
InsertBetweenAtomsAction | 38cc9a5a-21e8-4bb1-b59a-2b43d8eec320 | mp-675042 | Insert a Pm atom in the line between atoms at indices 20 and 21, and the inserted atom must be 1.33 angstrom from atom at 20 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 Mg16Ti8O8Pm
_chemical_formula_sum "Mg16 Ti8 O8 Pm1"
_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 62.1075124999... |
InsertBetweenAtomsAction | 83b69475-7cef-45b2-aee6-8c8286f3d400 | mp-1103868 | Insert a Pa atom in the line between atoms at indices 8 and 0, and the inserted atom must be 2.70 angstrom from atom at 8 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 ZnRe2O12Pa
_chemical_formula_sum "Zn1 Re2 O12 Pa1"
_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_... |
InsertBetweenAtomsAction | e73b8430-213f-4870-9651-3b77205b5d23 | mp-616196 | Insert a Db atom in the line between atoms at indices 3 and 12, and the inserted atom must be 2.49 angstrom from atom at 3 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 Os2C6I4O6Db
_chemical_formula_sum "Os2 C6 I4 O6 Db1"
_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_grou... |
InsertBetweenAtomsAction | b37c4a62-1e82-4d98-9d5a-484eff49dd1a | mp-559695 | Insert a As atom in the line between atoms at indices 0 and 1, and the inserted atom must be 5.02 angstrom from atom at 0 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 Cs2RbBiF6As
_chemical_formula_sum "Cs2 Rb1 Bi1 F6 As1"
_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 59.99... |
InsertBetweenAtomsAction | c16b7fae-3604-427d-9806-b7fd566c5dfd | mp-850538 | Insert a Zn atom in the line between atoms at indices 8 and 20, and the inserted atom must be 4.95 angstrom from atom at 8 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 Mn2Fe3SnP6O24Zn
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24 Zn1"
_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... |
InsertBetweenAtomsAction | 54356471-d33c-4c71-9d0a-5bf28a5d73b0 | mp-1190089 | Insert a Cd atom in the line between atoms at indices 6 and 13, and the inserted atom must be 3.94 angstrom from atom at 6 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 Cs2Hf4Br18Cd
_chemical_formula_sum "Cs2 Hf4 Br18 Cd1"
_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_na... |
InsertBetweenAtomsAction | 87b3d3dd-81e4-45eb-bed7-46f5428e54d2 | mp-1219192 | Insert a B atom in the line between atoms at indices 6 and 1, and the inserted atom must be 3.34 angstrom from atom at 6 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 SmErTi2Fe16Co6B
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6 B1"
_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_g... |
InsertBetweenAtomsAction | 4f7a3b2b-af00-44ce-8fd7-f63cfe89f4b9 | mp-29239 | Insert a C atom in the line between atoms at indices 11 and 0, and the inserted atom must be 0.47 angstrom from atom at 11 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 Lu4B8Ru4C
_chemical_formula_sum "Lu4 B8 Ru4 C1"
_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"
_s... |
InsertBetweenAtomsAction | d58a799a-d5f4-4842-a5c4-cc4209cf5d60 | mp-555986 | Insert a Fl atom in the line between atoms at indices 26 and 35, and the inserted atom must be 1.43 angstrom from atom at 26 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 As2C2S6N4F22Fl
_chemical_formula_sum "As2 C2 S6 N4 F22 Fl1"
_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 104.086695239... |
InsertBetweenAtomsAction | 49bd8413-ed3d-454a-b457-3e5db027a01d | mp-1223688 | Insert a Bi atom in the line between atoms at indices 1 and 16, and the inserted atom must be 2.76 angstrom from atom at 1 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 La2Fe10Bi8O30Bi
_chemical_formula_sum "La2 Fe10 Bi9 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
... |
InsertBetweenAtomsAction | 42b52e9d-a514-45ea-953b-887b24768e01 | mp-698063 | Insert a Hs atom in the line between atoms at indices 41 and 38, and the inserted atom must be 2.76 angstrom from atom at 41 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 Na8P8H8O28Hs
_chemical_formula_sum "Na8 P8 H8 O28 Hs1"
_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
... |
InsertBetweenAtomsAction | 5148edde-05df-4ba4-abe7-9f3e9701d70f | mp-1226178 | Insert a Pd atom in the line between atoms at indices 15 and 10, and the inserted atom must be 1.49 angstrom from atom at 15 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 Cr12BP3Pd
_chemical_formula_sum "Cr12 B1 P3 Pd1"
_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
_... |
InsertBetweenAtomsAction | 42f9608f-57f7-4210-93d7-20623608fd7c | mp-2219347 | Insert a Kr atom in the line between atoms at indices 8 and 1, and the inserted atom must be 1.25 angstrom from atom at 8 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 MgTe4Mo2W2S4Kr
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4 Kr1"
_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 119.995444... |
InsertBetweenAtomsAction | 3ece12b6-f853-4dff-b57e-4cac2f408036 | mp-757032 | Insert a Au atom in the line between atoms at indices 0 and 2, and the inserted atom must be 3.35 angstrom from atom at 0 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 Cs6Er2O6Au
_chemical_formula_sum "Cs6 Er2 O6 Au1"
_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
... |
InsertBetweenAtomsAction | 5a7128a5-9dcc-465d-a79e-c83113ac24f9 | mp-1223717 | Insert a Pt atom in the line between atoms at indices 19 and 35, and the inserted atom must be 2.28 angstrom from atom at 19 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 K2Al6Si6H4O24Pt
_chemical_formula_sum "K2 Al6 Si6 H4 O24 Pt1"
_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 11... |
InsertBetweenAtomsAction | 33eaf9ed-d2c3-4938-9569-5a575c2f7053 | mp-757836 | Insert a Mt atom in the line between atoms at indices 28 and 11, and the inserted atom must be 1.19 angstrom from atom at 28 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 Be4H8Se4O16Mt
_chemical_formula_sum "Be4 H8 Se4 O16 Mt1"
_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"
... |
InsertBetweenAtomsAction | 4cef5f73-06f8-4880-8c4d-f06b57088135 | mp-29399 | Insert a Md atom in the line between atoms at indices 7 and 12, and the inserted atom must be 1.40 angstrom from atom at 7 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 Mn4Ni2O8Md
_chemical_formula_sum "Mn4 Ni2 O8 Md1"
_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 60.00000... |
InsertBetweenAtomsAction | 8200253b-9752-451f-85fe-ebfa1df4282a | mp-1043461 | Insert a Rf atom in the line between atoms at indices 12 and 15, and the inserted atom must be 2.86 angstrom from atom at 12 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 Ni4Sb4P8O36Rf
_chemical_formula_sum "Ni4 Sb4 P8 O36 Rf1"
_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... |
InsertBetweenAtomsAction | ffe48fd3-827c-4999-8352-168db4e2ef43 | mp-769705 | Insert a Np atom in the line between atoms at indices 24 and 17, and the inserted atom must be 1.40 angstrom from atom at 24 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 Cd4Co8O16Np
_chemical_formula_sum "Cd4 Co8 O16 Np1"
_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
_... |
InsertBetweenAtomsAction | c4711f80-77e9-4b52-aa32-918c969c1fcf | mp-862697 | Insert a Mn atom in the line between atoms at indices 0 and 4, and the inserted atom must be 2.41 angstrom from atom at 0 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 Er4Mg2Ge4Mn
_chemical_formula_sum "Er4 Mg2 Ge4 Mn1"
_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... |
InsertBetweenAtomsAction | 32aa3229-3867-4058-93f9-4d769dc98ae7 | mp-1567262 | Insert a C atom in the line between atoms at indices 7 and 0, and the inserted atom must be 3.62 angstrom from atom at 7 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 Li4Mn4Sb2O12C
_chemical_formula_sum "Li4 Mn4 Sb2 O12 C1"
_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 90.010783549... |
InsertBetweenAtomsAction | 032560e3-da2f-4f21-a92a-24bce70943fb | mp-780766 | Insert a Be atom in the line between atoms at indices 4 and 14, and the inserted atom must be 2.82 angstrom from atom at 4 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 Fe10O9F11Be
_chemical_formula_sum "Fe10 O9 F11 Be1"
_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
_spac... |
InsertBetweenAtomsAction | 39ed7ff2-7d14-4db5-9f2f-e6606b30f738 | mp-1199851 | Insert a Cm atom in the line between atoms at indices 47 and 20, and the inserted atom must be 7.58 angstrom from atom at 47 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 Er4C12O32Cm
_chemical_formula_sum "Er4 C12 O32 Cm1"
_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"
_sp... |
InsertBetweenAtomsAction | d8bef05c-8b06-4a37-a95b-657e31ec5a1e | mp-1111085 | Insert a At atom in the line between atoms at indices 7 and 5, and the inserted atom must be 2.24 angstrom from atom at 7 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 Na2VAuF6At
_chemical_formula_sum "Na2 V1 Au1 F6 At1"
_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_... |
InsertBetweenAtomsAction | 2024dde4-9b35-4524-872b-60841ea4fd4e | mp-1073789 | Insert a Ni atom in the line between atoms at indices 10 and 3, and the inserted atom must be 6.62 angstrom from atom at 10 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 Mg6Si6Ni
_chemical_formula_sum "Mg6 Si6 Ni1"
_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
... |
InsertBetweenAtomsAction | d0b1de8d-cfb6-4551-9564-b42d80e23677 | mp-758607 | Insert a Ce atom in the line between atoms at indices 23 and 20, and the inserted atom must be 1.01 angstrom from atom at 23 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 Li4Co4Si4O16Ce
_chemical_formula_sum "Li4 Co4 Si4 O16 Ce1"
_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 ... |
InsertBetweenAtomsAction | 259690be-8bd7-4b10-9860-ff8499f99d39 | mp-19442 | Insert a Au atom in the line between atoms at indices 1 and 9, and the inserted atom must be 2.41 angstrom from atom at 1 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 MnNi6O8Au
_chemical_formula_sum "Mn1 Ni6 O8 Au1"
_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
_s... |
InsertBetweenAtomsAction | 1aa9a589-9ed0-4337-8803-e4510e3067c1 | mp-1027074 | Insert a H atom in the line between atoms at indices 1 and 5, and the inserted atom must be 5.89 angstrom from atom at 1 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 Te4Mo2W2Se2S2H
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2 H1"
_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_gro... |
InsertBetweenAtomsAction | 4c0b1dcd-aa6d-4041-8eb4-bf1f4d0a198c | mp-556532 | Insert a Ts atom in the line between atoms at indices 20 and 11, and the inserted atom must be 1.62 angstrom from atom at 20 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 Ca2Al2B6O14Ts
_chemical_formula_sum "Ca2 Al2 B6 O14 Ts1"
_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_... |
InsertBetweenAtomsAction | 40c41a48-eee9-4619-b030-03937194302a | mp-1193590 | Insert a Tb atom in the line between atoms at indices 12 and 6, and the inserted atom must be 3.72 angstrom from atom at 12 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 Gd2Co18Si8Tb
_chemical_formula_sum "Gd2 Co18 Si8 Tb1"
_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 87.212267... |
InsertBetweenAtomsAction | 7148d491-9b4a-4d8c-9497-362ef5b6959b | mp-1202923 | Insert a Ir atom in the line between atoms at indices 47 and 63, and the inserted atom must be 6.38 angstrom from atom at 47 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 Ho4H32S6O40Ir
_chemical_formula_sum "Ho4 H32 S6 O40 Ir1"
_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_... |
InsertBetweenAtomsAction | ce083959-ee7e-436b-b806-814da5181171 | mp-1193964 | Insert a Pm atom in the line between atoms at indices 12 and 7, and the inserted atom must be 5.30 angstrom from atom at 12 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 Ca4Mg2C6O18Pm
_chemical_formula_sum "Ca4 Mg2 C6 O18 Pm1"
_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_... |
InsertBetweenAtomsAction | 13c0f27c-89aa-406f-8955-74a25ef594f9 | mp-766479 | Insert a Fm atom in the line between atoms at indices 3 and 15, and the inserted atom must be 5.57 angstrom from atom at 3 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 Li8Mn2Fe4B8O24Fm
_chemical_formula_sum "Li8 Mn2 Fe4 B8 O24 Fm1"
_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... |
InsertBetweenAtomsAction | a09298f3-4036-47ae-8bfe-7294615269eb | mp-889216 | Insert a Eu atom in the line between atoms at indices 1 and 6, and the inserted atom must be 2.84 angstrom from atom at 1 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 Mn6O10F2Eu
_chemical_formula_sum "Mn6 O10 F2 Eu1"
_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_gro... |
InsertBetweenAtomsAction | 23058319-4255-41f0-b550-6c16407e87c3 | mp-1222724 | Insert a Hs atom in the line between atoms at indices 14 and 18, and the inserted atom must be 2.08 angstrom from atom at 14 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 Lu6Ga19Pd3Hs
_chemical_formula_sum "Lu6 Ga19 Pd3 Hs1"
_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
_s... |
InsertBetweenAtomsAction | cc249dfa-7505-4c4e-944b-4b67e506e904 | mp-763224 | Insert a Ne atom in the line between atoms at indices 21 and 19, and the inserted atom must be 3.13 angstrom from atom at 21 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 Mn8O13F3Ne
_chemical_formula_sum "Mn8 O13 F3 Ne1"
_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
_... |
InsertBetweenAtomsAction | 9db16b63-6ab6-4d53-9783-3ea25d841828 | mp-2230483 | Insert a Xe atom in the line between atoms at indices 10 and 12, and the inserted atom must be 0.68 angstrom from atom at 10 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 MgV5CrO12Xe
_chemical_formula_sum "Mg1 V5 Cr1 O12 Xe1"
_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 103.715703139999... |
InsertBetweenAtomsAction | c63dd38a-633e-444a-aa64-6f6d62d90ea9 | mp-1195793 | Insert a Be atom in the line between atoms at indices 17 and 16, and the inserted atom must be 5.39 angstrom from atom at 17 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 Ba4Fe4P4H4O20Be
_chemical_formula_sum "Ba4 Fe4 P4 H4 O20 Be1"
_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 ... |
InsertBetweenAtomsAction | 5ff05b00-3d24-410f-8051-2ba89fe23db8 | mp-1233619 | Insert a Kr atom in the line between atoms at indices 20 and 11, and the inserted atom must be 4.48 angstrom from atom at 20 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 Sr2MgZn2Sn2P4O16Kr
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16 Kr1"
_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 ... |
InsertBetweenAtomsAction | 80682a4a-3fcf-41c6-962b-e36f9fbb0de1 | mp-1234114 | Insert a At atom in the line between atoms at indices 4 and 18, and the inserted atom must be 1.58 angstrom from atom at 4 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 MgFe8O8F8At
_chemical_formula_sum "Mg1 Fe8 O8 F8 At1"
_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 92.18298... |
InsertBetweenAtomsAction | b5005a86-46d5-49c3-b05f-8eaa050ee03d | mp-753838 | Insert a Er atom in the line between atoms at indices 6 and 24, and the inserted atom must be 2.14 angstrom from atom at 6 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 Li4Si4Ni4O14Er
_chemical_formula_sum "Li4 Si4 Ni4 O14 Er1"
_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_g... |
InsertBetweenAtomsAction | 62a4bc6b-ea56-4375-b8e3-fd07bbad2680 | mp-861612 | Insert a U atom in the line between atoms at indices 9 and 7, and the inserted atom must be 6.52 angstrom from atom at 9 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 Cr2Fe2P4O16U
_chemical_formula_sum "Cr2 Fe2 P4 O16 U1"
_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 ... |
InsertBetweenAtomsAction | 806ec575-284d-478e-9bd6-76736c0a90de | mp-557634 | Insert a Ce atom in the line between atoms at indices 19 and 20, and the inserted atom must be 1.73 angstrom from atom at 19 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 Na2V6P6O24Ce
_chemical_formula_sum "Na2 V6 P6 O24 Ce1"
_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_... |
InsertBetweenAtomsAction | 4fa97c0b-cd42-4c7c-a9b1-fb54a0132dc5 | mp-568431 | Insert a Ti atom in the line between atoms at indices 2 and 10, and the inserted atom must be 1.04 angstrom from atom at 2 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 Nd12Fe26Sb2Ti
_chemical_formula_sum "Nd12 Fe26 Sb2 Ti1"
_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 51.9... |
InsertBetweenAtomsAction | 887f52d5-be81-4636-8c88-d78189a40106 | mp-1520816 | Insert a Fe atom in the line between atoms at indices 25 and 10, and the inserted atom must be 5.27 angstrom from atom at 25 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 Ba4Eu4Zr8O24Fe
_chemical_formula_sum "Ba4 Eu4 Zr8 O24 Fe1"
_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 ... |
InsertBetweenAtomsAction | ec97678f-273c-4bea-bbdb-5a8cfb715c53 | mp-557123 | Insert a Nb atom in the line between atoms at indices 6 and 52, and the inserted atom must be 1.14 angstrom from atom at 6 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 Na8Cu4Si12O32Nb
_chemical_formula_sum "Na8 Cu4 Si12 O32 Nb1"
_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-... |
InsertBetweenAtomsAction | 1d3fd926-3e78-4da1-9d71-f349f6b8364f | mp-1178407 | Insert a Zn atom in the line between atoms at indices 29 and 3, and the inserted atom must be 1.90 angstrom from atom at 29 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 Cr8P4O20Zn
_chemical_formula_sum "Cr8 P4 O20 Zn1"
_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"
... |
InsertBetweenAtomsAction | c0c5cfc1-407f-4e34-a189-37851fd128a7 | mp-614981 | Insert a Zr atom in the line between atoms at indices 2 and 9, and the inserted atom must be 0.64 angstrom from atom at 2 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 Ba2NdCu3O6Zr
_chemical_formula_sum "Ba2 Nd1 Cu3 O6 Zr1"
_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"
... |
InsertBetweenAtomsAction | 02349059-7330-45cb-825f-9d75b4177457 | mp-19357 | Insert a Cr atom in the line between atoms at indices 2 and 8, and the inserted atom must be 0.75 angstrom from atom at 2 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 La2Cr2O6Cr
_chemical_formula_sum "La2 Cr3 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... |
InsertBetweenAtomsAction | 19e09a5a-7329-40e8-ae18-2012c75b6bf0 | mp-1208360 | Insert a I atom in the line between atoms at indices 20 and 10, and the inserted atom must be 3.62 angstrom from atom at 20 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 Tb2Tl2W4O16I
_chemical_formula_sum "Tb2 Tl2 W4 O16 I1"
_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 88.5598565... |
InsertBetweenAtomsAction | 04b9e983-b096-42c4-b24a-468e49d1967d | mp-1120783 | Insert a Ra atom in the line between atoms at indices 19 and 9, and the inserted atom must be 5.04 angstrom from atom at 19 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 Al30C30Ra
_chemical_formula_sum "Al30 C30 Ra1"
_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 ... |
InsertBetweenAtomsAction | c054a0a7-5564-4509-85a1-ea5c07da8da9 | mp-1237028 | Insert a Nb atom in the line between atoms at indices 13 and 3, and the inserted atom must be 4.80 angstrom from atom at 13 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 K4Ga4P8H8Nb
_chemical_formula_sum "K4 Ga4 P8 H8 Nb1"
_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"
_sp... |
InsertBetweenAtomsAction | 5935b8b4-ec6f-4f51-add9-04d3fc29aad7 | mp-759335 | Insert a Pu atom in the line between atoms at indices 4 and 60, and the inserted atom must be 2.79 angstrom from atom at 4 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 Li10V6P16O58Pu
_chemical_formula_sum "Li10 V6 P16 O58 Pu1"
_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... |
InsertBetweenAtomsAction | b91f6034-b77f-4dbf-b0b5-0ca874cade32 | mp-1210947 | Insert a He atom in the line between atoms at indices 2 and 3, and the inserted atom must be 1.74 angstrom from atom at 2 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 Lu2Ag2W4O16He
_chemical_formula_sum "Lu2 Ag2 W4 O16 He1"
_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
_s... |
InsertBetweenAtomsAction | 5cf26b6f-6184-4f45-a95a-a9c7d1fd4ff3 | mp-1188318 | Insert a Yb atom in the line between atoms at indices 7 and 9, and the inserted atom must be 4.17 angstrom from atom at 7 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 Si2H16Yb
_chemical_formula_sum "Si2 H16 Yb1"
_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... |
InsertBetweenAtomsAction | ccb41ad5-a532-4af7-8a8a-07f269db9435 | mp-1028063 | Insert a Sc atom in the line between atoms at indices 5 and 14, and the inserted atom must be 3.68 angstrom from atom at 5 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 Mg14MnGaSc
_chemical_formula_sum "Mg14 Mn1 Ga1 Sc1"
_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... |
InsertBetweenAtomsAction | 2b824dfa-de4a-4232-80ef-78cf84b88809 | mp-773047 | Insert a Li atom in the line between atoms at indices 28 and 23, and the inserted atom must be 0.78 angstrom from atom at 28 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 K3Nb6P3O24Li
_chemical_formula_sum "K3 Nb6 P3 O24 Li1"
_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... |
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