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 | 1306d3ea-ed8c-419d-8e91-2b303b1f7dfb | mp-30385 | Insert a At atom in the line between atoms at indices 9 and 2, and the inserted atom must be 0.49 angstrom from atom at 9 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 Ho8Au4At
_chemical_formula_sum "Ho8 Au4 At1"
_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... |
InsertBetweenAtomsAction | 6c3c53e7-1ab1-470f-8a9d-a1fee20e5e07 | mp-735027 | Insert a Cr atom in the line between atoms at indices 26 and 17, and the inserted atom must be 1.76 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 V4S8N4O36Cr
_chemical_formula_sum "V4 S8 N4 O36 Cr1"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 | 2410e554-5d8c-4928-990d-10bbcee51ad2 | mp-1239253 | Insert a Si atom in the line between atoms at indices 0 and 9, and the inserted atom must be 2.12 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural NbCr3Ag2S8
_chemical_formula_sum "Nb1 Cr3 Ag2 S8"
_cell_length_a 7.21965027
_cell_length_b 7.21965027
_cell_length_c 7.28202321
_cell_angle_alpha 60.76293235000001
_cell_angle_beta 60.76293234999999
_cell_angle_gamma 60.876866499999... | data_image0
_chemical_formula_structural NbCr3Ag2S8Si
_chemical_formula_sum "Nb1 Cr3 Ag2 S8 Si1"
_cell_length_a 7.21965027
_cell_length_b 7.21965027
_cell_length_c 7.28202321
_cell_angle_alpha 60.76293235000001
_cell_angle_beta 60.76293234999999
_cell_angle_gamma 60.876866... |
InsertBetweenAtomsAction | ecd8de1c-0767-4a91-b16f-2da6c6960695 | mp-776267 | Insert a Zr atom in the line between atoms at indices 19 and 3, and the inserted atom must be 3.73 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16Zr
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16 Zr1"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.0014801900... |
InsertBetweenAtomsAction | 8056b34f-1b01-4385-a073-8b06c892f087 | mp-1043670 | Insert a As atom in the line between atoms at indices 19 and 10, and the inserted atom must be 1.47 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Zn2Ni8O12
_chemical_formula_sum "Zn2 Ni8 O12"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn2Ni8O12As
_chemical_formula_sum "Zn2 Ni8 O12 As1"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | e4d8ac43-865a-4b1c-98f1-28465837a936 | mp-704879 | Insert a Kr atom in the line between atoms at indices 41 and 6, and the inserted atom must be 1.22 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Ni10Te8Br4O24
_chemical_formula_sum "Ni10 Te8 Br4 O24"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma 29.10422... | data_image0
_chemical_formula_structural Ni10Te8Br4O24Kr
_chemical_formula_sum "Ni10 Te8 Br4 O24 Kr1"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma 29... |
InsertBetweenAtomsAction | 4950b843-5d14-4169-bdde-62c6b06fed96 | mp-19512 | Insert a Sm atom in the line between atoms at indices 58 and 43, and the inserted atom must be 5.78 angstrom from atom at 58 in the cif file. | data_image0
_chemical_formula_structural Ba4V8P8O40
_chemical_formula_sum "Ba4 V8 P8 O40"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ba4V8P8O40Sm
_chemical_formula_sum "Ba4 V8 P8 O40 Sm1"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 465a9ebc-508e-4b52-a013-192318c8b30d | mp-7199 | Insert a N atom in the line between atoms at indices 6 and 2, and the inserted atom must be 3.57 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Rb2Pr2Te8
_chemical_formula_sum "Rb2 Pr2 Te8"
_cell_length_a 7.0061598
_cell_length_b 7.0061598
_cell_length_c 9.23461387
_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 Rb2Pr2Te8N
_chemical_formula_sum "Rb2 Pr2 Te8 N1"
_cell_length_a 7.0061598
_cell_length_b 7.0061598
_cell_length_c 9.23461387
_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 | 536deffe-4aed-4310-9c9c-e2553f07ff81 | mp-10339 | Insert a Po atom in the line between atoms at indices 3 and 2, and the inserted atom must be 2.56 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sr4Nb4O12
_chemical_formula_sum "Sr4 Nb4 O12"
_cell_length_a 5.72665767
_cell_length_b 5.73016776
_cell_length_c 8.13508265
_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 Sr4Nb4O12Po
_chemical_formula_sum "Sr4 Nb4 O12 Po1"
_cell_length_a 5.72665767
_cell_length_b 5.73016776
_cell_length_c 8.13508265
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 5b000d5e-bd02-48d2-a68f-f0876ed805d2 | mp-1247690 | Insert a Ag atom in the line between atoms at indices 10 and 21, and the inserted atom must be 3.37 angstrom from atom at 10 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 SrCa7Mn8O24Ag
_chemical_formula_sum "Sr1 Ca7 Mn8 O24 Ag1"
_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... |
InsertBetweenAtomsAction | 031c1687-b990-4a1d-bb80-a07c0287bca1 | mp-1194089 | Insert a Np atom in the line between atoms at indices 13 and 20, and the inserted atom must be 4.86 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CaMn28Np
_chemical_formula_sum "Ca1 Mn28 Np1"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_... |
InsertBetweenAtomsAction | 167b1a8f-a535-4179-ad8c-4100fcd3b0ac | mp-18051 | Insert a Ru atom in the line between atoms at indices 6 and 13, and the inserted atom must be 7.96 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... | data_image0
_chemical_formula_structural La8Ti4O20Ru
_chemical_formula_sum "La8 Ti4 O20 Ru1"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_gro... |
InsertBetweenAtomsAction | 0ca2e573-a238-4405-be42-779bc3198660 | mp-715438 | Insert a Mo atom in the line between atoms at indices 0 and 13, and the inserted atom must be 4.02 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Fe6O8
_chemical_formula_sum "Fe6 O8"
_cell_length_a 2.94267094
_cell_length_b 5.098815649999999
_cell_length_c 9.99026188
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma 73.27708706
_space_group_name_H-M... | data_image0
_chemical_formula_structural Fe6O8Mo
_chemical_formula_sum "Fe6 O8 Mo1"
_cell_length_a 2.94267094
_cell_length_b 5.098815649999999
_cell_length_c 9.99026188
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma 73.27708706
_space_group_na... |
InsertBetweenAtomsAction | f5efc103-c295-47dc-9760-390292e23364 | mp-554765 | Insert a Cd atom in the line between atoms at indices 12 and 5, and the inserted atom must be 1.34 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSb2F12Cd
_chemical_formula_sum "Ba1 Sb2 F12 Cd1"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_... |
InsertBetweenAtomsAction | a24bfe20-5bbd-4f7b-95bc-c64f9498e7f5 | mp-1208150 | Insert a As atom in the line between atoms at indices 4 and 11, and the inserted atom must be 1.46 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Th4Cr4Sb12
_chemical_formula_sum "Th4 Cr4 Sb12"
_cell_length_a 6.199992
_cell_length_b 6.315171
_cell_length_c 12.955849
_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 Th4Cr4Sb12As
_chemical_formula_sum "Th4 Cr4 Sb12 As1"
_cell_length_a 6.199992
_cell_length_b 6.315171
_cell_length_c 12.955849
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 10e6ba07-c9b0-4592-806b-63c72b841863 | mp-774237 | Insert a Sc atom in the line between atoms at indices 15 and 8, and the inserted atom must be 1.45 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... | data_image0
_chemical_formula_structural Li5Cr2Ni5O12Sc
_chemical_formula_sum "Li5 Cr2 Ni5 O12 Sc1"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29... |
InsertBetweenAtomsAction | fb0da418-a79d-4090-8ce0-dd4f02589b39 | mp-2207630 | Insert a O atom in the line between atoms at indices 1 and 12, and the inserted atom must be 4.43 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Rb8La4F20
_chemical_formula_sum "Rb8 La4 F20"
_cell_length_a 6.89019891
_cell_length_b 7.81879989
_cell_length_c 11.312775
_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 Rb8La4F20O
_chemical_formula_sum "Rb8 La4 F20 O1"
_cell_length_a 6.89019891
_cell_length_b 7.81879989
_cell_length_c 11.312775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 1c9d7ac8-cfc6-477a-8b61-96dd8c0918aa | mp-562662 | Insert a Dy atom in the line between atoms at indices 13 and 2, and the inserted atom must be 6.10 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ba8Co4C8O24F8
_chemical_formula_sum "Ba8 Co4 C8 O24 F8"
_cell_length_a 6.749409
_cell_length_b 9.088334
_cell_length_c 11.704113
_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 Ba8Co4C8O24F8Dy
_chemical_formula_sum "Ba8 Co4 C8 O24 F8 Dy1"
_cell_length_a 6.749409
_cell_length_b 9.088334
_cell_length_c 11.704113
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | fd37a629-bcd7-4126-bbbf-247a2ffdd13d | mp-755978 | Insert a Tm atom in the line between atoms at indices 6 and 12, and the inserted atom must be 2.30 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... | data_image0
_chemical_formula_structural Ni6O2F10Tm
_chemical_formula_sum "Ni6 O2 F10 Tm1"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_s... |
InsertBetweenAtomsAction | e4c131c1-1006-4643-b80c-0f303e14fd31 | mp-21683 | Insert a Al atom in the line between atoms at indices 12 and 23, and the inserted atom must be 3.22 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... | data_image0
_chemical_formula_structural In2Ni21P6Al
_chemical_formula_sum "In2 Ni21 P6 Al1"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
... |
InsertBetweenAtomsAction | 29b1227d-26b4-4e09-8536-0386cc809d1c | mp-1211033 | Insert a Ag atom in the line between atoms at indices 3 and 8, and the inserted atom must be 3.50 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu12In2Fe3Ag
_chemical_formula_sum "Lu12 In2 Fe3 Ag1"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_... |
InsertBetweenAtomsAction | b3020215-d80a-4098-a9fb-eda7fea19681 | mp-1205446 | Insert a Re atom in the line between atoms at indices 40 and 5, and the inserted atom must be 13.93 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Hg32Br12O16
_chemical_formula_sum "Hg32 Br12 O16"
_cell_length_a 6.37154252
_cell_length_b 6.94871517
_cell_length_c 31.68044603
_cell_angle_alpha 83.68968203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg32Br12O16Re
_chemical_formula_sum "Hg32 Br12 O16 Re1"
_cell_length_a 6.37154252
_cell_length_b 6.94871517
_cell_length_c 31.68044603
_cell_angle_alpha 83.68968203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | fa3ae163-e669-4683-80f0-1de559259c32 | mp-1038443 | Insert a Cd atom in the line between atoms at indices 21 and 33, and the inserted atom must be 5.05 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_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 HfMg30CdO32Cd
_chemical_formula_sum "Hf1 Mg30 Cd2 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | d0f2dcb3-887b-4f08-81f4-35a9378addca | mp-1029771 | Insert a C atom in the line between atoms at indices 0 and 7, and the inserted atom must be 3.55 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12C
_chemical_formula_sum "Ca8 Re4 N12 C1"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
... |
InsertBetweenAtomsAction | 30ba7291-26a0-4d9f-afc2-e0b40d5da048 | mp-1215346 | Insert a W atom in the line between atoms at indices 3 and 5, and the inserted atom must be 4.92 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Al4Cr4W
_chemical_formula_sum "Zr4 Al4 Cr4 W1"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 35ca319c-a57f-4176-a37a-b2ffddd86c21 | mp-1176871 | Insert a I atom in the line between atoms at indices 9 and 51, and the inserted atom must be 9.87 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li14V6P16O58I
_chemical_formula_sum "Li14 V6 P16 O58 I1"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999... |
InsertBetweenAtomsAction | 5a44c664-a879-4a9c-b6a8-b54bd055f163 | mp-775016 | Insert a Ac atom in the line between atoms at indices 10 and 9, and the inserted atom must be 5.99 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mn2Cr2P4O16
_chemical_formula_sum "Mn2 Cr2 P4 O16"
_cell_length_a 4.83844923
_cell_length_b 9.86507043
_cell_length_c 5.88522203
_cell_angle_alpha 90.00640642999998
_cell_angle_beta 89.99026565999999
_cell_angle_gamma 91.72516821
_... | data_image0
_chemical_formula_structural Mn2Cr2P4O16Ac
_chemical_formula_sum "Mn2 Cr2 P4 O16 Ac1"
_cell_length_a 4.83844923
_cell_length_b 9.86507043
_cell_length_c 5.88522203
_cell_angle_alpha 90.00640642999998
_cell_angle_beta 89.99026565999999
_cell_angle_gamma 91.72516... |
InsertBetweenAtomsAction | f865fc6d-417b-40cf-bc4b-cdc13e840342 | mp-1320145 | Insert a N atom in the line between atoms at indices 12 and 6, and the inserted atom must be 1.66 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Mo2Cl2O8
_chemical_formula_sum "Li2 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.11409378
_cell_length_b 7.06203233
_cell_length_c 7.13712466
_cell_angle_alpha 89.81401738
_cell_angle_beta 91.97105808
_cell_angle_gamma 89.97829328
_space... | data_image0
_chemical_formula_structural Li2Fe2Mo2Cl2O8N
_chemical_formula_sum "Li2 Fe2 Mo2 Cl2 O8 N1"
_cell_length_a 5.11409378
_cell_length_b 7.06203233
_cell_length_c 7.13712466
_cell_angle_alpha 89.81401738
_cell_angle_beta 91.97105808
_cell_angle_gamma 89.97829328
_s... |
InsertBetweenAtomsAction | 05838b60-c916-42e1-be3b-d7b035462c82 | mp-1106114 | Insert a Ni atom in the line between atoms at indices 10 and 5, and the inserted atom must be 4.03 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Rb6Nd2N12
_chemical_formula_sum "Rb6 Nd2 N12"
_cell_length_a 8.31267826
_cell_length_b 8.31267826
_cell_length_c 8.31267785
_cell_angle_alpha 90.96326456999999
_cell_angle_beta 90.96326456999999
_cell_angle_gamma 90.96325711999998
... | data_image0
_chemical_formula_structural Rb6Nd2N12Ni
_chemical_formula_sum "Rb6 Nd2 N12 Ni1"
_cell_length_a 8.31267826
_cell_length_b 8.31267826
_cell_length_c 8.31267785
_cell_angle_alpha 90.96326456999999
_cell_angle_beta 90.96326456999999
_cell_angle_gamma 90.9632571199... |
InsertBetweenAtomsAction | e7bdcdc6-8613-4ea0-a1ad-1560076fb972 | mp-1229210 | Insert a Pt atom in the line between atoms at indices 11 and 25, and the inserted atom must be 1.44 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ba10Er5Cu15O34
_chemical_formula_sum "Ba10 Er5 Cu15 O34"
_cell_length_a 8.622765
_cell_length_b 8.75698465
_cell_length_c 12.5324057
_cell_angle_alpha 106.37783221
_cell_angle_beta 98.23103807
_cell_angle_gamma 88.83387604
_space_g... | data_image0
_chemical_formula_structural Ba10Er5Cu15O34Pt
_chemical_formula_sum "Ba10 Er5 Cu15 O34 Pt1"
_cell_length_a 8.622765
_cell_length_b 8.75698465
_cell_length_c 12.5324057
_cell_angle_alpha 106.37783221
_cell_angle_beta 98.23103807
_cell_angle_gamma 88.83387604
_s... |
InsertBetweenAtomsAction | ae1c367e-2688-41c1-8df2-af7b057b3b8e | mp-1324601 | Insert a Ge atom in the line between atoms at indices 61 and 4, and the inserted atom must be 3.48 angstrom from atom at 61 in the cif file. | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Zn12Si12Ag8O48Ge
_chemical_formula_sum "Zn12 Si12 Ag8 O48 Ge1"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122... |
InsertBetweenAtomsAction | 5c608776-6aec-4227-b708-d1488723f49c | mp-1386638 | Insert a Ni atom in the line between atoms at indices 2 and 21, and the inserted atom must be 0.61 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16Ni
_chemical_formula_sum "Na5 Cu3 P4 O16 Ni1"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_... |
InsertBetweenAtomsAction | 4aa25b7a-96ac-4c2b-b173-c9f23462c5a2 | mp-849436 | Insert a Fm atom in the line between atoms at indices 14 and 5, and the inserted atom must be 0.67 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... | data_image0
_chemical_formula_structural Na4Fe8O16Fm
_chemical_formula_sum "Na4 Fe8 O16 Fm1"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_spac... |
InsertBetweenAtomsAction | 5292e05b-f16c-4939-a845-0767fbf1837d | mp-1238779 | Insert a Ar atom in the line between atoms at indices 0 and 13, and the inserted atom must be 1.86 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Rb2Cr4S8
_chemical_formula_sum "Rb2 Cr4 S8"
_cell_length_a 7.72320835
_cell_length_b 7.72320835
_cell_length_c 7.72320835
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural Rb2Cr4S8Ar
_chemical_formula_sum "Rb2 Cr4 S8 Ar1"
_cell_length_a 7.72320835
_cell_length_b 7.72320835
_cell_length_c 7.72320835
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
InsertBetweenAtomsAction | c293cb37-8ccd-4ae3-8a9f-d410155d2142 | mp-559435 | Insert a Ba atom in the line between atoms at indices 6 and 2, and the inserted atom must be 0.89 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Co3F9
_chemical_formula_sum "Co3 F9"
_cell_length_a 5.29447817
_cell_length_b 5.29447914
_cell_length_c 6.484095559999999
_cell_angle_alpha 90.00003394
_cell_angle_beta 89.99998015
_cell_angle_gamma 120.00004250999999
_space_group_... | data_image0
_chemical_formula_structural Co3F9Ba
_chemical_formula_sum "Co3 F9 Ba1"
_cell_length_a 5.29447817
_cell_length_b 5.29447914
_cell_length_c 6.484095559999999
_cell_angle_alpha 90.00003394
_cell_angle_beta 89.99998015
_cell_angle_gamma 120.00004250999999
_space_... |
InsertBetweenAtomsAction | 3549980d-7dbc-48af-872c-d6c8f6461a10 | mp-770799 | Insert a Os atom in the line between atoms at indices 8 and 19, and the inserted atom must be 4.48 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li10Nb2O10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_spac... | data_image0
_chemical_formula_structural Li10Nb2O10Os
_chemical_formula_sum "Li10 Nb2 O10 Os1"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
... |
InsertBetweenAtomsAction | 37b599cb-36a6-4f4b-a5e3-40e4ae6161fa | mp-850188 | Insert a Ag atom in the line between atoms at indices 10 and 12, and the inserted atom must be 0.28 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2V2O2F8Ag
_chemical_formula_sum "Li2 V2 O2 F8 Ag1"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 23bff390-5495-4a8b-9da8-b89823896e29 | mp-1046778 | Insert a Xe atom in the line between atoms at indices 10 and 9, and the inserted atom must be 0.56 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Sr4Y4Sn4O14
_chemical_formula_sum "Sr4 Y4 Sn4 O14"
_cell_length_a 11.91755355
_cell_length_b 11.917553550000001
_cell_length_c 11.91755355
_cell_angle_alpha 46.54074575
_cell_angle_beta 146.32237085
_cell_angle_gamma 148.83359540999... | data_image0
_chemical_formula_structural Sr4Y4Sn4O14Xe
_chemical_formula_sum "Sr4 Y4 Sn4 O14 Xe1"
_cell_length_a 11.91755355
_cell_length_b 11.917553550000001
_cell_length_c 11.91755355
_cell_angle_alpha 46.54074575
_cell_angle_beta 146.32237085
_cell_angle_gamma 148.83359... |
InsertBetweenAtomsAction | a79ac9a8-372b-4ecb-b036-0251122797bf | mp-1026435 | Insert a Mo atom in the line between atoms at indices 5 and 12, and the inserted atom must be 1.28 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14TiMo2
_chemical_formula_sum "Mg14 Ti1 Mo2"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 2502b596-6f07-4e0a-afad-904468a793bf | mp-1235662 | Insert a Es atom in the line between atoms at indices 11 and 3, and the inserted atom must be 4.15 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... | data_image0
_chemical_formula_structural LiY2Fe4O8Es
_chemical_formula_sum "Li1 Y2 Fe4 O8 Es1"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_gro... |
InsertBetweenAtomsAction | 20c057e2-b1b8-4300-a4ad-2fd57dbfb6b1 | mp-3956 | Insert a Fl atom in the line between atoms at indices 3 and 11, and the inserted atom must be 2.76 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sr6U2O12
_chemical_formula_sum "Sr6 U2 O12"
_cell_length_a 6.01187075
_cell_length_b 6.24491972
_cell_length_c 8.62546066
_cell_angle_alpha 90.0
_cell_angle_beta 90.47273692
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr6U2O12Fl
_chemical_formula_sum "Sr6 U2 O12 Fl1"
_cell_length_a 6.01187075
_cell_length_b 6.24491972
_cell_length_c 8.62546066
_cell_angle_alpha 90.0
_cell_angle_beta 90.47273692
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 15a24edc-0886-41c5-83e8-3982dad50d0a | mp-1249385 | Insert a At atom in the line between atoms at indices 10 and 5, and the inserted atom must be 3.31 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ba2Ti2AlTlO7
_chemical_formula_sum "Ba2 Ti2 Al1 Tl1 O7"
_cell_length_a 3.84082844
_cell_length_b 3.84762645
_cell_length_c 14.584079240000001
_cell_angle_alpha 93.18656865
_cell_angle_beta 93.17865177000002
_cell_angle_gamma 87.6991... | data_image0
_chemical_formula_structural Ba2Ti2AlTlO7At
_chemical_formula_sum "Ba2 Ti2 Al1 Tl1 O7 At1"
_cell_length_a 3.84082844
_cell_length_b 3.84762645
_cell_length_c 14.584079240000001
_cell_angle_alpha 93.18656865
_cell_angle_beta 93.17865177000002
_cell_angle_gamma 8... |
InsertBetweenAtomsAction | 121944e8-7384-4bf4-8886-9ec6819b1a13 | mp-1192837 | Insert a Zr atom in the line between atoms at indices 0 and 9, and the inserted atom must be 5.01 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Al2Sb10Se10Cl8
_chemical_formula_sum "Al2 Sb10 Se10 Cl8"
_cell_length_a 9.701918
_cell_length_b 9.83934008
_cell_length_c 11.94593014
_cell_angle_alpha 104.07211943
_cell_angle_beta 110.25561751999999
_cell_angle_gamma 99.7414425
_... | data_image0
_chemical_formula_structural Al2Sb10Se10Cl8Zr
_chemical_formula_sum "Al2 Sb10 Se10 Cl8 Zr1"
_cell_length_a 9.701918
_cell_length_b 9.83934008
_cell_length_c 11.94593014
_cell_angle_alpha 104.07211943
_cell_angle_beta 110.25561751999999
_cell_angle_gamma 99.7414... |
InsertBetweenAtomsAction | 7ec56b37-a3d0-449d-b872-106756954e23 | mp-1035395 | Insert a K atom in the line between atoms at indices 23 and 24, and the inserted atom must be 2.93 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 Mg14VCuO16K
_chemical_formula_sum "Mg14 V1 Cu1 O16 K1"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 | 09f1618a-2e4c-4664-b236-98f0c7dbaae5 | mp-559163 | Insert a V atom in the line between atoms at indices 37 and 14, and the inserted atom must be 1.27 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4As8O28V
_chemical_formula_sum "K4 Fe4 As8 O28 V1"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space... |
InsertBetweenAtomsAction | 38950110-3316-491f-a3b8-218bdf2de3b1 | mp-757591 | Insert a Na atom in the line between atoms at indices 30 and 66, and the inserted atom must be 3.26 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.793502
_cell_length_b 9.81214705
_cell_length_c 13.9753412
_cell_angle_alpha 89.76570739
_cell_angle_beta 89.74495204
_cell_angle_gamma 60.22690322
_space_group_... | data_image0
_chemical_formula_structural Li12V6P16O58Na
_chemical_formula_sum "Li12 V6 P16 O58 Na1"
_cell_length_a 9.793502
_cell_length_b 9.81214705
_cell_length_c 13.9753412
_cell_angle_alpha 89.76570739
_cell_angle_beta 89.74495204
_cell_angle_gamma 60.22690322
_space_... |
InsertBetweenAtomsAction | 0f5e1f32-b39c-4982-9b28-61186398943b | mp-11726 | Insert a Pb atom in the line between atoms at indices 25 and 2, and the inserted atom must be 4.03 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni18Pb
_chemical_formula_sum "La2 Si8 Ni18 Pb1"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_spac... |
InsertBetweenAtomsAction | 4f9284f4-b385-446d-a18d-98aedf2324da | mp-540706 | Insert a Es atom in the line between atoms at indices 29 and 16, and the inserted atom must be 1.32 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... | data_image0
_chemical_formula_structural Na4Nb8O22Es
_chemical_formula_sum "Na4 Nb8 O22 Es1"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.209279... |
InsertBetweenAtomsAction | 22efcecc-1b13-4346-b54e-8d888c1d221d | mp-1198574 | Insert a U atom in the line between atoms at indices 48 and 16, and the inserted atom must be 0.40 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural Mg4H32C12N8O24
_chemical_formula_sum "Mg4 H32 C12 N8 O24"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_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 Mg4H32C12N8O24U
_chemical_formula_sum "Mg4 H32 C12 N8 O24 U1"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | ef8831bf-50a5-45c2-8a95-0dfb30799852 | mp-1028135 | Insert a Ti atom in the line between atoms at indices 10 and 9, and the inserted atom must be 1.03 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural CaMg14Bi
_chemical_formula_sum "Ca1 Mg14 Bi1"
_cell_length_a 6.57699513
_cell_length_b 6.40011836
_cell_length_c 10.55966491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.11430116
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CaMg14BiTi
_chemical_formula_sum "Ca1 Mg14 Bi1 Ti1"
_cell_length_a 6.57699513
_cell_length_b 6.40011836
_cell_length_c 10.55966491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.11430116
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 1cc90adc-8814-45ae-9cdf-e5774a850c1e | mp-1210644 | Insert a Ce atom in the line between atoms at indices 24 and 23, and the inserted atom must be 1.16 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Nd2Hf2O28
_chemical_formula_sum "Nd2 Hf2 O28"
_cell_length_a 7.62017441
_cell_length_b 7.620174410000001
_cell_length_c 7.62017441
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Nd2Hf2O28Ce
_chemical_formula_sum "Nd2 Hf2 O28 Ce1"
_cell_length_a 7.62017441
_cell_length_b 7.620174410000001
_cell_length_c 7.62017441
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999... |
InsertBetweenAtomsAction | 1e01c040-2adc-4aa5-92c2-ef1fd081acca | mp-1219537 | Insert a Ds atom in the line between atoms at indices 16 and 31, and the inserted atom must be 2.50 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Sc3Ga16Fe20
_chemical_formula_sum "Sc3 Ga16 Fe20"
_cell_length_a 5.013486
_cell_length_b 6.50179875
_cell_length_c 18.24321775
_cell_angle_alpha 93.86234432
_cell_angle_beta 82.10218078
_cell_angle_gamma 112.67764555
_space_group_n... | data_image0
_chemical_formula_structural Sc3Ga16Fe20Ds
_chemical_formula_sum "Sc3 Ga16 Fe20 Ds1"
_cell_length_a 5.013486
_cell_length_b 6.50179875
_cell_length_c 18.24321775
_cell_angle_alpha 93.86234432
_cell_angle_beta 82.10218078
_cell_angle_gamma 112.67764555
_space_g... |
InsertBetweenAtomsAction | 1f028236-9d06-48ae-8b18-95ae61752903 | mp-1229180 | Insert a Ge atom in the line between atoms at indices 10 and 18, and the inserted atom must be 1.94 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag8Sb5As3S16Ge
_chemical_formula_sum "Ag8 Sb5 As3 S16 Ge1"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_g... |
InsertBetweenAtomsAction | 82b19d0f-578c-4471-b8fb-c53a13f5cde8 | mp-1177387 | Insert a Pu atom in the line between atoms at indices 24 and 42, and the inserted atom must be 2.12 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... | data_image0
_chemical_formula_structural Li8V6P16O58Pu
_chemical_formula_sum "Li8 V6 P16 O58 Pu1"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_s... |
InsertBetweenAtomsAction | a0ab75d5-828c-42a7-8b66-7d598fae5ea0 | mp-2236954 | Insert a Xe atom in the line between atoms at indices 13 and 15, and the inserted atom must be 2.73 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_space_gro... | data_image0
_chemical_formula_structural Co6O6F6Xe
_chemical_formula_sum "Co6 O6 F6 Xe1"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_spa... |
InsertBetweenAtomsAction | 9c0199a5-fe42-4b3c-92e3-2655ab280546 | mp-685100 | Insert a Cf atom in the line between atoms at indices 14 and 32, and the inserted atom must be 49.59 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... | data_image0
_chemical_formula_structural Cu14I19Cf
_chemical_formula_sum "Cu14 I19 Cf1"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_sp... |
InsertBetweenAtomsAction | ce44d775-f8fe-4950-b891-ca0ac3a43614 | mp-1110589 | Insert a W atom in the line between atoms at indices 1 and 0, and the inserted atom must be 5.97 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Rb2IrAuF6
_chemical_formula_sum "Rb2 Ir1 Au1 F6"
_cell_length_a 6.35201375
_cell_length_b 6.35201375
_cell_length_c 6.35201375
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2IrAuF6W
_chemical_formula_sum "Rb2 Ir1 Au1 F6 W1"
_cell_length_a 6.35201375
_cell_length_b 6.35201375
_cell_length_c 6.35201375
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
InsertBetweenAtomsAction | 874f0ea7-3bb2-4879-a1f0-8a30545a118d | mp-677864 | Insert a Po atom in the line between atoms at indices 5 and 15, and the inserted atom must be 5.62 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li2Sn4P6O24
_chemical_formula_sum "Li2 Sn4 P6 O24"
_cell_length_a 8.55016
_cell_length_b 8.564034920000001
_cell_length_c 9.02612182
_cell_angle_alpha 118.0423152
_cell_angle_beta 90.30425657999999
_cell_angle_gamma 119.49173264
_s... | data_image0
_chemical_formula_structural Li2Sn4P6O24Po
_chemical_formula_sum "Li2 Sn4 P6 O24 Po1"
_cell_length_a 8.55016
_cell_length_b 8.564034920000001
_cell_length_c 9.02612182
_cell_angle_alpha 118.0423152
_cell_angle_beta 90.30425657999999
_cell_angle_gamma 119.491732... |
InsertBetweenAtomsAction | 1ea063b9-f175-416c-a14d-3ad44bee9274 | mp-1379435 | Insert a Fe atom in the line between atoms at indices 0 and 10, and the inserted atom must be 0.97 angstrom from atom at 0 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 Li5Ni5O10Fe
_chemical_formula_sum "Li5 Ni5 O10 Fe1"
_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... |
InsertBetweenAtomsAction | 3dc9d498-a1b7-4ccb-a3d6-87fc43221f43 | mp-1213576 | Insert a Kr atom in the line between atoms at indices 45 and 54, and the inserted atom must be 3.70 angstrom from atom at 45 in the cif file. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12Kr
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12 Kr1"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_an... |
InsertBetweenAtomsAction | 6d1ff365-f04b-4d3b-8179-347cafb990b1 | mp-754454 | Insert a O atom in the line between atoms at indices 1 and 0, and the inserted atom must be 0.75 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... | data_image0
_chemical_formula_structural Cd2Ag4O9
_chemical_formula_sum "Cd2 Ag4 O9"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... |
InsertBetweenAtomsAction | 80d59861-7ebd-4618-a930-b8e8bb6bbed5 | mp-698292 | Insert a Rf atom in the line between atoms at indices 24 and 41, and the inserted atom must be 1.35 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural K2ZrCdH16C8O24
_chemical_formula_sum "K2 Zr1 Cd1 H16 C8 O24"
_cell_length_a 9.23941705
_cell_length_b 9.23941705
_cell_length_c 9.23941705
_cell_angle_alpha 103.72416908000001
_cell_angle_beta 103.72416908000001
_cell_angle_gamma 12... | data_image0
_chemical_formula_structural K2ZrCdH16C8O24Rf
_chemical_formula_sum "K2 Zr1 Cd1 H16 C8 O24 Rf1"
_cell_length_a 9.23941705
_cell_length_b 9.23941705
_cell_length_c 9.23941705
_cell_angle_alpha 103.72416908000001
_cell_angle_beta 103.72416908000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | 5d04a8d1-0a02-4724-9ff3-14b24edf3af3 | mp-755682 | Insert a Rb atom in the line between atoms at indices 0 and 5, and the inserted atom must be 1.97 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li8Fe2O6F2
_chemical_formula_sum "Li8 Fe2 O6 F2"
_cell_length_a 5.172149
_cell_length_b 5.2195528
_cell_length_c 8.072422239999998
_cell_angle_alpha 71.25930733000001
_cell_angle_beta 82.89881488999998
_cell_angle_gamma 69.88323606
... | data_image0
_chemical_formula_structural Li8Fe2O6F2Rb
_chemical_formula_sum "Li8 Fe2 O6 F2 Rb1"
_cell_length_a 5.172149
_cell_length_b 5.2195528
_cell_length_c 8.072422239999998
_cell_angle_alpha 71.25930733000001
_cell_angle_beta 82.89881488999998
_cell_angle_gamma 69.883... |
InsertBetweenAtomsAction | ed13c2e9-f78c-421b-9c51-f19a716256a4 | mp-761155 | Insert a Cs atom in the line between atoms at indices 3 and 1, and the inserted atom must be 3.78 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4Co3Ni3W2O16
_chemical_formula_sum "Li4 Co3 Ni3 W2 O16"
_cell_length_a 5.92442302
_cell_length_b 5.92442302
_cell_length_c 9.743585339999997
_cell_angle_alpha 89.6495781
_cell_angle_beta 89.6495781
_cell_angle_gamma 60.14856860999... | data_image0
_chemical_formula_structural Li4Co3Ni3W2O16Cs
_chemical_formula_sum "Li4 Co3 Ni3 W2 O16 Cs1"
_cell_length_a 5.92442302
_cell_length_b 5.92442302
_cell_length_c 9.743585339999997
_cell_angle_alpha 89.6495781
_cell_angle_beta 89.6495781
_cell_angle_gamma 60.14856... |
InsertBetweenAtomsAction | e807fb98-1c87-4fb1-b9ee-4f97d6013df7 | mp-1034797 | Insert a Gd atom in the line between atoms at indices 2 and 25, and the inserted atom must be 3.80 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg14O15Gd
_chemical_formula_sum "Rb1 Na1 Mg14 O15 Gd1"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 0179b0f7-3cd8-48c0-af9d-e619fecc90c1 | mp-1033833 | Insert a Fl atom in the line between atoms at indices 4 and 7, and the inserted atom must be 1.95 angstrom from atom at 4 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 CsRbMg6O7Fl
_chemical_formula_sum "Cs1 Rb1 Mg6 O7 Fl1"
_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_gr... |
InsertBetweenAtomsAction | e724bcd6-0b7d-438b-9475-54ff1b54997d | mp-30794 | Insert a Tl atom in the line between atoms at indices 33 and 32, and the inserted atom must be 6.90 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Na30Sn8
_chemical_formula_sum "Na30 Sn8"
_cell_length_a 11.2804714
_cell_length_b 11.28047127
_cell_length_c 11.28047112
_cell_angle_alpha 109.47121859
_cell_angle_beta 109.47121835
_cell_angle_gamma 109.47122315000001
_space_group... | data_image0
_chemical_formula_structural Na30Sn8Tl
_chemical_formula_sum "Na30 Sn8 Tl1"
_cell_length_a 11.2804714
_cell_length_b 11.28047127
_cell_length_c 11.28047112
_cell_angle_alpha 109.47121859
_cell_angle_beta 109.47121835
_cell_angle_gamma 109.47122315000001
_space... |
InsertBetweenAtomsAction | 37ac9610-671c-463a-a7d8-c4895b5077a3 | mp-2219347 | Insert a F atom in the line between atoms at indices 0 and 6, and the inserted atom must be 2.50 angstrom from atom at 0 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 MgTe4Mo2W2S4F
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4 F1"
_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 119.99544402... |
InsertBetweenAtomsAction | 37e6daac-9f18-4916-ae87-2eac75a9b06a | mp-1033378 | Insert a Si atom in the line between atoms at indices 15 and 0, and the inserted atom must be 0.89 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_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 Mg6CrBiO8Si
_chemical_formula_sum "Mg6 Cr1 Bi1 O8 Si1"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | f7f0a354-021a-45bd-80f8-1c28a0895064 | mp-706430 | Insert a Nb atom in the line between atoms at indices 21 and 16, and the inserted atom must be 1.16 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural H12N4O16
_chemical_formula_sum "H12 N4 O16"
_cell_length_a 6.168374
_cell_length_b 6.302972
_cell_length_c 9.270461
_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 H12N4O16Nb
_chemical_formula_sum "H12 N4 O16 Nb1"
_cell_length_a 6.168374
_cell_length_b 6.302972
_cell_length_c 9.270461
_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 | 17736e77-203e-4bb7-a1eb-d275248e8a07 | mp-1213717 | Insert a Ni atom in the line between atoms at indices 14 and 5, and the inserted atom must be 1.47 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Cs8Sb4F20
_chemical_formula_sum "Cs8 Sb4 F20"
_cell_length_a 6.7017
_cell_length_b 8.5046
_cell_length_c 13.056831
_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 Cs8Sb4F20Ni
_chemical_formula_sum "Cs8 Sb4 F20 Ni1"
_cell_length_a 6.7017
_cell_length_b 8.5046
_cell_length_c 13.056831
_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 | a2315ca5-ee58-41fc-8126-2618392baf1a | mp-1227514 | Insert a O atom in the line between atoms at indices 5 and 13, and the inserted atom must be 2.16 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4Ge2O15
_chemical_formula_sum "Ca4 Ga4 Ge2 O15"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 42526a7c-b98f-40ba-a740-3e523abe6d64 | mp-780049 | Insert a Te atom in the line between atoms at indices 1 and 9, and the inserted atom must be 4.96 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Lu2Ta14O38
_chemical_formula_sum "Lu2 Ta14 O38"
_cell_length_a 6.24806164
_cell_length_b 6.2480616399999995
_cell_length_c 20.039688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999617999998
_space_group_nam... | data_image0
_chemical_formula_structural Lu2Ta14O38Te
_chemical_formula_sum "Lu2 Ta14 O38 Te1"
_cell_length_a 6.24806164
_cell_length_b 6.2480616399999995
_cell_length_c 20.039688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999617999998
_space_gro... |
InsertBetweenAtomsAction | f30d7a15-b103-440c-b360-de6342b20fc3 | mp-13514 | Insert a Os atom in the line between atoms at indices 13 and 12, and the inserted atom must be 4.94 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... | data_image0
_chemical_formula_structural Nd4B4O12Os
_chemical_formula_sum "Nd4 B4 O12 Os1"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
... |
InsertBetweenAtomsAction | 0abf12ef-d58c-4965-9d40-bc747ec16a7b | mp-735530 | Insert a Cf atom in the line between atoms at indices 21 and 14, and the inserted atom must be 4.06 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ba2Fe3P6HO22
_chemical_formula_sum "Ba2 Fe3 P6 H1 O22"
_cell_length_a 4.919701
_cell_length_b 8.00249343
_cell_length_c 11.42330261
_cell_angle_alpha 89.27073239
_cell_angle_beta 89.2849342
_cell_angle_gamma 87.13515349000001
_spac... | data_image0
_chemical_formula_structural Ba2Fe3P6HO22Cf
_chemical_formula_sum "Ba2 Fe3 P6 H1 O22 Cf1"
_cell_length_a 4.919701
_cell_length_b 8.00249343
_cell_length_c 11.42330261
_cell_angle_alpha 89.27073239
_cell_angle_beta 89.2849342
_cell_angle_gamma 87.13515349000001
... |
InsertBetweenAtomsAction | 5e9b589e-96cc-48d6-9f8a-1223cb11faea | mp-559593 | Insert a Lr atom in the line between atoms at indices 19 and 25, and the inserted atom must be 1.77 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6Lr
_chemical_formula_sum "P3 S9 N15 F6 Lr1"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470... |
InsertBetweenAtomsAction | 9915259e-b586-43ce-9677-068ffab6bc4b | mp-555541 | Insert a Sc atom in the line between atoms at indices 25 and 13, and the inserted atom must be 2.67 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural K4C4N8O16
_chemical_formula_sum "K4 C4 N8 O16"
_cell_length_a 7.67341916
_cell_length_b 7.67341916
_cell_length_c 9.15047742
_cell_angle_alpha 75.97483683
_cell_angle_beta 75.97483683
_cell_angle_gamma 61.05566727000001
_space_grou... | data_image0
_chemical_formula_structural K4C4N8O16Sc
_chemical_formula_sum "K4 C4 N8 O16 Sc1"
_cell_length_a 7.67341916
_cell_length_b 7.67341916
_cell_length_c 9.15047742
_cell_angle_alpha 75.97483683
_cell_angle_beta 75.97483683
_cell_angle_gamma 61.05566727000001
_spac... |
InsertBetweenAtomsAction | 7df6f560-f324-41fe-b551-3a5842509377 | mp-1044010 | Insert a Br atom in the line between atoms at indices 12 and 5, and the inserted atom must be 3.59 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Zn4Sn4Bi4O20
_chemical_formula_sum "Zn4 Sn4 Bi4 O20"
_cell_length_a 11.157864
_cell_length_b 5.332821
_cell_length_c 8.81112013
_cell_angle_alpha 73.00569277999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Zn4Sn4Bi4O20Br
_chemical_formula_sum "Zn4 Sn4 Bi4 O20 Br1"
_cell_length_a 11.157864
_cell_length_b 5.332821
_cell_length_c 8.81112013
_cell_angle_alpha 73.00569277999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 77880001-ef46-4691-872e-66bce0357884 | mp-705551 | Insert a Bi atom in the line between atoms at indices 28 and 5, and the inserted atom must be 4.23 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... | data_image0
_chemical_formula_structural Fe15O16Bi
_chemical_formula_sum "Fe15 O16 Bi1"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_... |
InsertBetweenAtomsAction | c73b97b1-6458-4d36-afef-81f515cf6957 | mp-4770 | Insert a Au atom in the line between atoms at indices 1 and 0, and the inserted atom must be 1.97 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Na4S2O8
_chemical_formula_sum "Na4 S2 O8"
_cell_length_a 5.65505031
_cell_length_b 5.65504963
_cell_length_c 6.76083777
_cell_angle_alpha 102.80605339
_cell_angle_beta 102.80604188
_cell_angle_gamma 118.03516548
_space_group_name_H... | data_image0
_chemical_formula_structural Na4S2O8Au
_chemical_formula_sum "Na4 S2 O8 Au1"
_cell_length_a 5.65505031
_cell_length_b 5.65504963
_cell_length_c 6.76083777
_cell_angle_alpha 102.80605339
_cell_angle_beta 102.80604188
_cell_angle_gamma 118.03516548
_space_group_... |
InsertBetweenAtomsAction | 2e99f1f1-98ba-49e7-a60f-b2f3aea1ee18 | mp-1207356 | Insert a Db atom in the line between atoms at indices 0 and 5, and the inserted atom must be 4.21 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 RbTm3O6Db
_chemical_formula_sum "Rb1 Tm3 O6 Db1"
_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 | e5a0053d-205b-45f3-9075-762333ac96b0 | mp-22290 | Insert a Tm atom in the line between atoms at indices 27 and 15, and the inserted atom must be 1.08 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Mn6Si7Ni16
_chemical_formula_sum "Mn6 Si7 Ni16"
_cell_length_a 7.80082259
_cell_length_b 7.800822819999999
_cell_length_c 7.80082177
_cell_angle_alpha 60.00417865
_cell_angle_beta 60.00417477999999
_cell_angle_gamma 60.0041852199999... | data_image0
_chemical_formula_structural Mn6Si7Ni16Tm
_chemical_formula_sum "Mn6 Si7 Ni16 Tm1"
_cell_length_a 7.80082259
_cell_length_b 7.800822819999999
_cell_length_c 7.80082177
_cell_angle_alpha 60.00417865
_cell_angle_beta 60.00417477999999
_cell_angle_gamma 60.0041852... |
InsertBetweenAtomsAction | c6b843d3-4a81-4b8e-b86e-4deb7e15a8b2 | mp-1304002 | Insert a Cm atom in the line between atoms at indices 10 and 19, and the inserted atom must be 1.34 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16Cm
_chemical_formula_sum "Li8 Ni6 Bi2 O16 Cm1"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
... |
InsertBetweenAtomsAction | f407a4b3-ac33-496d-8391-d694fbbbee7f | mp-1520897 | Insert a Br atom in the line between atoms at indices 8 and 6, and the inserted atom must be 0.85 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Sr2CrBiO6Br
_chemical_formula_sum "Sr2 Cr1 Bi1 O6 Br1"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | 25167a0a-e8db-4b26-ace1-3f0e80ed353c | mp-1035887 | Insert a Ir atom in the line between atoms at indices 25 and 27, and the inserted atom must be 3.61 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural KMg14WO16
_chemical_formula_sum "K1 Mg14 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 KMg14WO16Ir
_chemical_formula_sum "K1 Mg14 W1 O16 Ir1"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 7bc94519-98f2-445d-9e50-a524a84f56e1 | mp-1208371 | Insert a Li atom in the line between atoms at indices 23 and 3, and the inserted atom must be 2.85 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl20O4Li
_chemical_formula_sum "Tl4 N8 Cl20 O4 Li1"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | e6a4d5ce-83a4-47f2-a559-1d71db10869d | mp-1237973 | Insert a Sg atom in the line between atoms at indices 2 and 3, and the inserted atom must be 2.58 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Y2Mg2S6
_chemical_formula_sum "Y2 Mg2 S6"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_nam... | data_image0
_chemical_formula_structural Y2Mg2S6Sg
_chemical_formula_sum "Y2 Mg2 S6 Sg1"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_gro... |
InsertBetweenAtomsAction | e0eb1e16-4e3f-46a1-82d7-789434c280cf | mp-570610 | Insert a Pb atom in the line between atoms at indices 33 and 27, and the inserted atom must be 1.78 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cd13I26Pb
_chemical_formula_sum "Cd13 I26 Pb1"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b9d6401b-7314-4646-b1ec-c9cac12221cf | mp-560404 | Insert a Es atom in the line between atoms at indices 0 and 18, and the inserted atom must be 1.89 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... | data_image0
_chemical_formula_structural In4H4Se4O16Es
_chemical_formula_sum "In4 H4 Se4 O16 Es1"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_gr... |
InsertBetweenAtomsAction | b271550d-8d74-4364-800e-f14975c823ac | mp-728419 | Insert a Db atom in the line between atoms at indices 29 and 33, and the inserted atom must be 1.63 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Cd4C28S12N16
_chemical_formula_sum "Cd4 C28 S12 N16"
_cell_length_a 9.557018
_cell_length_b 10.760586
_cell_length_c 14.051301
_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 Cd4C28S12N16Db
_chemical_formula_sum "Cd4 C28 S12 N16 Db1"
_cell_length_a 9.557018
_cell_length_b 10.760586
_cell_length_c 14.051301
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 9c800a4a-c11b-4a6f-bdde-a8a09be316f8 | mp-754801 | Insert a Tb atom in the line between atoms at indices 11 and 7, and the inserted atom must be 1.53 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O13Tb
_chemical_formula_sum "Li3 Ti6 O13 Tb1"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_spac... |
InsertBetweenAtomsAction | 421fd479-d73b-4ef1-9e47-57c567ece0b0 | mp-1199329 | Insert a Pm atom in the line between atoms at indices 32 and 18, and the inserted atom must be 0.86 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural Gd4P4H4C8O24Pm
_chemical_formula_sum "Gd4 P4 H4 C8 O24 Pm1"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_... |
InsertBetweenAtomsAction | 89995b06-9a0c-4f40-ad64-1965df7f4255 | mp-756138 | Insert a Ca atom in the line between atoms at indices 17 and 24, and the inserted atom must be 1.42 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... | data_image0
_chemical_formula_structural Li4V6Sb2O16Ca
_chemical_formula_sum "Li4 V6 Sb2 O16 Ca1"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_... |
InsertBetweenAtomsAction | 7ddf2ae2-97c2-4ed9-8b9b-1b2091ae1cae | mp-616512 | Insert a Ni atom in the line between atoms at indices 3 and 8, and the inserted atom must be 1.92 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Y12Co8
_chemical_formula_sum "Y12 Co8"
_cell_length_a 3.966887
_cell_length_b 9.423694
_cell_length_c 12.225549
_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_IT_... | data_image0
_chemical_formula_structural Y12Co8Ni
_chemical_formula_sum "Y12 Co8 Ni1"
_cell_length_a 3.966887
_cell_length_b 9.423694
_cell_length_c 12.225549
_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... |
InsertBetweenAtomsAction | e4e5b95d-35fe-4edd-89b8-918cc800b9b5 | mp-24598 | Insert a Sg atom in the line between atoms at indices 16 and 71, and the inserted atom must be 6.35 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40Sg
_chemical_formula_sum "Ba4 V4 P8 H16 O40 Sg1"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 77dc5caa-28a9-4662-acb0-650b35df1382 | mp-566278 | Insert a In atom in the line between atoms at indices 11 and 14, and the inserted atom must be 4.59 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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_IT_num... | data_image0
_chemical_formula_structural W4O12In
_chemical_formula_sum "W4 O12 In1"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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_... |
InsertBetweenAtomsAction | c50f819d-733d-4573-9b5b-3cdc5fabac47 | mp-770874 | Insert a At atom in the line between atoms at indices 52 and 42, and the inserted atom must be 5.15 angstrom from atom at 52 in the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32At
_chemical_formula_sum "Na12 Co4 P2 C8 O32 At1"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 5... |
InsertBetweenAtomsAction | 4d986761-074f-47b5-a649-da76742dd020 | mp-2053129 | Insert a Br atom in the line between atoms at indices 10 and 11, and the inserted atom must be 2.64 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Er4As4S4
_chemical_formula_sum "Er4 As4 S4"
_cell_length_a 3.78665465
_cell_length_b 3.81953299
_cell_length_c 16.80727137
_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 Er4As4S4Br
_chemical_formula_sum "Er4 As4 S4 Br1"
_cell_length_a 3.78665465
_cell_length_b 3.81953299
_cell_length_c 16.80727137
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 9c2a6436-cce4-45f3-9c56-af9cefc95320 | mp-555420 | Insert a W atom in the line between atoms at indices 25 and 49, and the inserted atom must be 6.07 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Na8Li8Ti24O56
_chemical_formula_sum "Na8 Li8 Ti24 O56"
_cell_length_a 10.06311714
_cell_length_b 10.06311714
_cell_length_c 11.54493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.43828377
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na8Li8Ti24O56W
_chemical_formula_sum "Na8 Li8 Ti24 O56 W1"
_cell_length_a 10.06311714
_cell_length_b 10.06311714
_cell_length_c 11.54493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.43828377
_space_group_name_... |
InsertBetweenAtomsAction | fda6fbc0-ded4-4a77-b1f3-951cdc66f6cb | mp-1105068 | Insert a Po atom in the line between atoms at indices 7 and 11, and the inserted atom must be 3.14 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7Po
_chemical_formula_sum "Ba1 Y1 Fe4 O7 Po1"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_s... |
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