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 | fe348b09-8bfd-4773-8374-0877fe1ef02d | mp-758495 | Insert a N atom in the line between atoms at indices 43 and 21, and the inserted atom must be 0.96 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O28N
_chemical_formula_sum "Li8 Co8 C8 O28 N1"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 0879abb3-f9aa-4d55-a3cb-502809ed4d73 | mp-22703 | Insert a Ni atom in the line between atoms at indices 16 and 24, and the inserted atom must be 1.81 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ni16Ge4B6
_chemical_formula_sum "Ni16 Ge4 B6"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_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 Ni16Ge4B6Ni
_chemical_formula_sum "Ni17 Ge4 B6"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_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 | 187ec034-51d5-4d6b-afe4-9459b56bee02 | mp-27413 | Insert a Si atom in the line between atoms at indices 4 and 7, and the inserted atom must be 2.06 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mo8P5
_chemical_formula_sum "Mo8 P5"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mo8P5Si
_chemical_formula_sum "Mo8 P5 Si1"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 29d1df30-32a8-4bd6-bef6-12ff84311655 | mp-11639 | Insert a Pm atom in the line between atoms at indices 3 and 2, and the inserted atom must be 4.17 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S6Pm
_chemical_formula_sum "Rb4 Ge2 S6 Pm1"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_s... |
InsertBetweenAtomsAction | 1071111b-ed66-4664-b2de-f9aee69fa8b6 | mp-1216004 | Insert a Pt atom in the line between atoms at indices 1 and 2, and the inserted atom must be 1.67 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural YThB8Rh8
_chemical_formula_sum "Y1 Th1 B8 Rh8"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_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 YThB8Rh8Pt
_chemical_formula_sum "Y1 Th1 B8 Rh8 Pt1"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | 47aeb7d9-601f-4f37-bfaf-27cbea3a5ebd | mp-554501 | Insert a Rb atom in the line between atoms at indices 31 and 22, and the inserted atom must be 2.31 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba10Os6Cl2O30Rb
_chemical_formula_sum "Ba10 Os6 Cl2 O30 Rb1"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_nam... |
InsertBetweenAtomsAction | 457d0040-2a5d-4e04-a7e2-525846db5ab6 | mp-675818 | Insert a Sc atom in the line between atoms at indices 12 and 10, and the inserted atom must be 3.43 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li11TiAs5Sc
_chemical_formula_sum "Li11 Ti1 As5 Sc1"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2... |
InsertBetweenAtomsAction | 68426718-99bf-4047-af10-e9c5aa1eb6ed | mp-25275 | Insert a Zn atom in the line between atoms at indices 8 and 5, and the inserted atom must be 5.85 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural Mn4O8Zn
_chemical_formula_sum "Mn4 O8 Zn1"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_n... |
InsertBetweenAtomsAction | 9ecb20e3-2b52-49d6-9449-72e520fe3bb6 | mp-561499 | Insert a Ir atom in the line between atoms at indices 3 and 13, and the inserted atom must be 4.83 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Dy6Cu2Sn2S14
_chemical_formula_sum "Dy6 Cu2 Sn2 S14"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Dy6Cu2Sn2S14Ir
_chemical_formula_sum "Dy6 Cu2 Sn2 S14 Ir1"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_H-... |
InsertBetweenAtomsAction | a406adb5-f10e-40b0-972c-4b4b9958b2c6 | mp-554765 | Insert a Am atom in the line between atoms at indices 12 and 7, and the inserted atom must be 3.20 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 BaSb2F12Am
_chemical_formula_sum "Ba1 Sb2 F12 Am1"
_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 | 2985802a-4a35-4bc3-87bf-fe60527b5354 | mp-6268 | Insert a Fm atom in the line between atoms at indices 47 and 1, and the inserted atom must be 6.13 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_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 K8Ti8P8O40Fm
_chemical_formula_sum "K8 Ti8 P8 O40 Fm1"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 53d8fe23-b092-4146-8b34-009ec2fff0ff | mp-19459 | Insert a W atom in the line between atoms at indices 23 and 17, and the inserted atom must be 5.26 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural K8Mg4V8O28
_chemical_formula_sum "K8 Mg4 V8 O28"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_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 K8Mg4V8O28W
_chemical_formula_sum "K8 Mg4 V8 O28 W1"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | a8f5b204-bf35-4945-bc45-d637879f1718 | mp-1040196 | Insert a Pb atom in the line between atoms at indices 28 and 26, and the inserted atom must be 2.28 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural KMg30BO32
_chemical_formula_sum "K1 Mg30 B1 O32"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_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 KMg30BO32Pb
_chemical_formula_sum "K1 Mg30 B1 O32 Pb1"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 0d0c6b5b-64cc-4354-9fe0-be2240b72072 | mp-1237028 | Insert a Cf atom in the line between atoms at indices 17 and 20, and the inserted atom must be 6.36 angstrom from atom at 17 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 K4Ga4P8H8Cf
_chemical_formula_sum "K4 Ga4 P8 H8 Cf1"
_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 | 8ca2f71b-6440-423b-8a07-a9000313069a | mp-781617 | Insert a Lr atom in the line between atoms at indices 3 and 1, and the inserted atom must be 1.38 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li5Mn6B6O18
_chemical_formula_sum "Li5 Mn6 B6 O18"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.45854545000002
... | data_image0
_chemical_formula_structural Li5Mn6B6O18Lr
_chemical_formula_sum "Li5 Mn6 B6 O18 Lr1"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.4585454500... |
InsertBetweenAtomsAction | 3efc537c-5837-483d-8b92-575be91b4ebb | mp-1104546 | Insert a P atom in the line between atoms at indices 6 and 2, and the inserted atom must be 0.98 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B6Mo6P
_chemical_formula_sum "Co2 B6 Mo6 P1"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_na... |
InsertBetweenAtomsAction | b71e8955-f995-4486-90d5-5cc7134dbef4 | mp-1226141 | Insert a Se atom in the line between atoms at indices 12 and 9, and the inserted atom must be 1.71 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Co12B2P2
_chemical_formula_sum "Co12 B2 P2"
_cell_length_a 4.251228
_cell_length_b 6.5982062400000006
_cell_length_c 6.38142602
_cell_angle_alpha 92.76012653
_cell_angle_beta 109.45666983
_cell_angle_gamma 71.20698522999999
_space_... | data_image0
_chemical_formula_structural Co12B2P2Se
_chemical_formula_sum "Co12 B2 P2 Se1"
_cell_length_a 4.251228
_cell_length_b 6.5982062400000006
_cell_length_c 6.38142602
_cell_angle_alpha 92.76012653
_cell_angle_beta 109.45666983
_cell_angle_gamma 71.20698522999999
_... |
InsertBetweenAtomsAction | 00ec4851-1ed0-4f04-94ce-1a081e823aaa | mp-675418 | Insert a Ir atom in the line between atoms at indices 23 and 12, and the inserted atom must be 5.70 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural B3H18N3
_chemical_formula_sum "B3 H18 N3"
_cell_length_a 4.305688
_cell_length_b 4.439956339999999
_cell_length_c 11.417344070000002
_cell_angle_alpha 100.19653617
_cell_angle_beta 88.96740159
_cell_angle_gamma 109.27519259
_space_... | data_image0
_chemical_formula_structural B3H18N3Ir
_chemical_formula_sum "B3 H18 N3 Ir1"
_cell_length_a 4.305688
_cell_length_b 4.439956339999999
_cell_length_c 11.417344070000002
_cell_angle_alpha 100.19653617
_cell_angle_beta 88.96740159
_cell_angle_gamma 109.27519259
_... |
InsertBetweenAtomsAction | abf2a9a1-07b8-4532-94e4-a4b15c652898 | mp-1095216 | Insert a Rg atom in the line between atoms at indices 2 and 8, and the inserted atom must be 2.37 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8Rg
_chemical_formula_sum "Nd2 As2 O8 Rg1"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928... |
InsertBetweenAtomsAction | 1a013450-9ff6-420d-90d5-c234187f3dd2 | mp-567967 | Insert a Og atom in the line between atoms at indices 21 and 4, and the inserted atom must be 3.12 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Li4Ga4I16
_chemical_formula_sum "Li4 Ga4 I16"
_cell_length_a 7.56266035
_cell_length_b 8.11525926
_cell_length_c 14.93753375
_cell_angle_alpha 87.26535003999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Ga4I16Og
_chemical_formula_sum "Li4 Ga4 I16 Og1"
_cell_length_a 7.56266035
_cell_length_b 8.11525926
_cell_length_c 14.93753375
_cell_angle_alpha 87.26535003999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | b172b030-4d8e-4f1b-97db-c3c4cbebb077 | mp-772952 | Insert a H atom in the line between atoms at indices 0 and 3, and the inserted atom must be 3.95 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_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 Li8V12Sn4O32H
_chemical_formula_sum "Li8 V12 Sn4 O32 H1"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 42ee9669-c6e5-4e35-ad59-380a10f4660d | mp-1196284 | Insert a Db atom in the line between atoms at indices 12 and 3, and the inserted atom must be 4.93 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U6Al38Ni10Db
_chemical_formula_sum "U6 Al38 Ni10 Db1"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 06471c03-68ca-4e96-ad48-3ee53a52a787 | mp-1041629 | Insert a Er atom in the line between atoms at indices 23 and 19, and the inserted atom must be 3.24 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Mg4Co8O16
_chemical_formula_sum "Mg4 Co8 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 Mg4Co8O16Er
_chemical_formula_sum "Mg4 Co8 O16 Er1"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | bec9a862-ed4b-45ca-87b7-93b087577e7e | mp-766533 | Insert a Pr atom in the line between atoms at indices 5 and 3, and the inserted atom must be 3.11 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li12Cr3FeP4C4O28
_chemical_formula_sum "Li12 Cr3 Fe1 P4 C4 O28"
_cell_length_a 6.470404
_cell_length_b 8.650314
_cell_length_c 10.02797152
_cell_angle_alpha 85.61151376999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Li12Cr3FeP4C4O28Pr
_chemical_formula_sum "Li12 Cr3 Fe1 P4 C4 O28 Pr1"
_cell_length_a 6.470404
_cell_length_b 8.650314
_cell_length_c 10.02797152
_cell_angle_alpha 85.61151376999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
InsertBetweenAtomsAction | a75a5344-f893-45a8-a93f-e531743ce6f5 | mp-1214689 | Insert a Pr atom in the line between atoms at indices 31 and 24, and the inserted atom must be 5.23 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Ce8In24Pt8
_chemical_formula_sum "Ce8 In24 Pt8"
_cell_length_a 9.83762838
_cell_length_b 9.83762838
_cell_length_c 9.83762838
_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 Ce8In24Pt8Pr
_chemical_formula_sum "Ce8 In24 Pt8 Pr1"
_cell_length_a 9.83762838
_cell_length_b 9.83762838
_cell_length_c 9.83762838
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | c58c05a3-b22d-49b5-8d6c-6465a760f5e9 | mp-764443 | Insert a Li atom in the line between atoms at indices 13 and 7, and the inserted atom must be 0.89 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Fe3W2O16
_chemical_formula_sum "Li4 Mn3 Fe3 W2 O16"
_cell_length_a 5.96236
_cell_length_b 6.048732359999999
_cell_length_c 9.872432370000002
_cell_angle_alpha 88.54895862
_cell_angle_beta 89.19172718999998
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Li4Mn3Fe3W2O16Li
_chemical_formula_sum "Li5 Mn3 Fe3 W2 O16"
_cell_length_a 5.96236
_cell_length_b 6.048732359999999
_cell_length_c 9.872432370000002
_cell_angle_alpha 88.54895862
_cell_angle_beta 89.19172718999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | b9f3e41f-ebe0-43bb-9529-3c6ab78d5cc5 | mp-5794 | Insert a Fm atom in the line between atoms at indices 3 and 1, and the inserted atom must be 3.36 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Zn2Ga4O8
_chemical_formula_sum "Zn2 Ga4 O8"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... | data_image0
_chemical_formula_structural Zn2Ga4O8Fm
_chemical_formula_sum "Zn2 Ga4 O8 Fm1"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999... |
InsertBetweenAtomsAction | 73033d7c-e3cd-4c9d-b8a9-c5a4ab25268e | mp-1196179 | Insert a Tl atom in the line between atoms at indices 38 and 4, and the inserted atom must be 7.48 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 Tm16Cr8S32Tl
_chemical_formula_sum "Tm16 Cr8 S32 Tl1"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 6906c9b9-5c91-4a12-972e-c1a357d8685a | mp-779351 | Insert a Cd atom in the line between atoms at indices 16 and 30, and the inserted atom must be 1.96 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li4MnP6H8O22
_chemical_formula_sum "Li4 Mn1 P6 H8 O22"
_cell_length_a 7.011207
_cell_length_b 7.49344322
_cell_length_c 8.57368673
_cell_angle_alpha 84.98040173
_cell_angle_beta 76.32377806
_cell_angle_gamma 86.00004733
_space_grou... | data_image0
_chemical_formula_structural Li4MnP6H8O22Cd
_chemical_formula_sum "Li4 Mn1 P6 H8 O22 Cd1"
_cell_length_a 7.011207
_cell_length_b 7.49344322
_cell_length_c 8.57368673
_cell_angle_alpha 84.98040173
_cell_angle_beta 76.32377806
_cell_angle_gamma 86.00004733
_spac... |
InsertBetweenAtomsAction | 26596090-48ea-4f1d-b87b-78b08b248b0a | mp-1518110 | Insert a V atom in the line between atoms at indices 4 and 8, and the inserted atom must be 1.48 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuYCoO6V
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6 V1"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... |
InsertBetweenAtomsAction | 2c50d153-562c-43f7-b36c-60791469ebc9 | mp-1213985 | Insert a Fl atom in the line between atoms at indices 11 and 1, and the inserted atom must be 1.56 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ca2Al2Si2O10
_chemical_formula_sum "Ca2 Al2 Si2 O10"
_cell_length_a 5.40348661
_cell_length_b 5.40348661
_cell_length_c 7.0302548300000005
_cell_angle_alpha 76.93014101
_cell_angle_beta 76.93014101
_cell_angle_gamma 106.97255978
_s... | data_image0
_chemical_formula_structural Ca2Al2Si2O10Fl
_chemical_formula_sum "Ca2 Al2 Si2 O10 Fl1"
_cell_length_a 5.40348661
_cell_length_b 5.40348661
_cell_length_c 7.0302548300000005
_cell_angle_alpha 76.93014101
_cell_angle_beta 76.93014101
_cell_angle_gamma 106.972559... |
InsertBetweenAtomsAction | 36353691-02d9-4fdb-b9dc-dbce6a0745e3 | mp-1235973 | Insert a Ba atom in the line between atoms at indices 1 and 10, and the inserted atom must be 2.62 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12Ba
_chemical_formula_sum "Li1 Y4 Ag4 O12 Ba1"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name... |
InsertBetweenAtomsAction | a4e235b5-8aac-4bc4-8235-0979e4f19fca | mp-640163 | Insert a Mo atom in the line between atoms at indices 14 and 11, and the inserted atom must be 2.04 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Co8W16C4
_chemical_formula_sum "Co8 W16 C4"
_cell_length_a 8.01283788
_cell_length_b 8.01283788
_cell_length_c 8.01283788
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural Co8W16C4Mo
_chemical_formula_sum "Co8 W16 C4 Mo1"
_cell_length_a 8.01283788
_cell_length_b 8.01283788
_cell_length_c 8.01283788
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
InsertBetweenAtomsAction | b8e5ede8-f5e0-4ec6-a90b-4bb1f04f2a65 | mp-1101169 | Insert a Mc atom in the line between atoms at indices 5 and 10, and the inserted atom must be 3.35 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Y6Al2O12
_chemical_formula_sum "Y6 Al2 O12"
_cell_length_a 6.45871299
_cell_length_b 6.458712990000001
_cell_length_c 6.4587129
_cell_angle_alpha 92.33703191
_cell_angle_beta 92.33703191
_cell_angle_gamma 92.33703204000001
_space_g... | data_image0
_chemical_formula_structural Y6Al2O12Mc
_chemical_formula_sum "Y6 Al2 O12 Mc1"
_cell_length_a 6.45871299
_cell_length_b 6.458712990000001
_cell_length_c 6.4587129
_cell_angle_alpha 92.33703191
_cell_angle_beta 92.33703191
_cell_angle_gamma 92.33703204000001
_s... |
InsertBetweenAtomsAction | 6eeca580-dc6d-4b87-a3fc-862c65a6bd40 | mp-2230416 | Insert a Sm atom in the line between atoms at indices 15 and 4, and the inserted atom must be 1.06 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural MgFe6O10F2
_chemical_formula_sum "Mg1 Fe6 O10 F2"
_cell_length_a 7.94805205
_cell_length_b 5.703519290000001
_cell_length_c 5.87140836
_cell_angle_alpha 69.20643122999999
_cell_angle_beta 65.00566187
_cell_angle_gamma 66.93554547
_... | data_image0
_chemical_formula_structural MgFe6O10F2Sm
_chemical_formula_sum "Mg1 Fe6 O10 F2 Sm1"
_cell_length_a 7.94805205
_cell_length_b 5.703519290000001
_cell_length_c 5.87140836
_cell_angle_alpha 69.20643122999999
_cell_angle_beta 65.00566187
_cell_angle_gamma 66.93554... |
InsertBetweenAtomsAction | 29a4794c-8258-4d79-9075-199d72b13b59 | mp-1096906 | Insert a Pd atom in the line between atoms at indices 33 and 43, and the inserted atom must be 6.21 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... | data_image0
_chemical_formula_structural Cr16N32Pd
_chemical_formula_sum "Cr16 N32 Pd1"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_g... |
InsertBetweenAtomsAction | 0af8c4e7-a56b-42e5-9bfc-1b90cb7b532d | mp-11726 | Insert a Rg atom in the line between atoms at indices 21 and 23, and the inserted atom must be 5.05 angstrom from atom at 21 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 La2Si8Ni18Rg
_chemical_formula_sum "La2 Si8 Ni18 Rg1"
_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 | 121cb8ab-b8b7-49b1-b887-4b581feca374 | mp-2222843 | Insert a Pt atom in the line between atoms at indices 7 and 5, and the inserted atom must be 2.23 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural KMgNiIO6
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural KMgNiIO6Pt
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6 Pt1"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H... |
InsertBetweenAtomsAction | 7069cf61-88f4-4ad2-880b-13bdd22fc19f | mp-557340 | Insert a Ho atom in the line between atoms at indices 53 and 42, and the inserted atom must be 9.67 angstrom from atom at 53 in the cif file. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.43567058
_cell_length_b 10.43567058
_cell_length_c 10.899195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000037
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge9Pb15O33Ho
_chemical_formula_sum "Ge9 Pb15 O33 Ho1"
_cell_length_a 10.43567058
_cell_length_b 10.43567058
_cell_length_c 10.899195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000037
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 4a1e5795-4b52-4838-b425-aa6d0c1da901 | mp-1181012 | Insert a Bk atom in the line between atoms at indices 29 and 52, and the inserted atom must be 2.69 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Li16Re24S44
_chemical_formula_sum "Li16 Re24 S44"
_cell_length_a 9.66013382
_cell_length_b 11.98810755
_cell_length_c 13.76111451
_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 Li16Re24S44Bk
_chemical_formula_sum "Li16 Re24 S44 Bk1"
_cell_length_a 9.66013382
_cell_length_b 11.98810755
_cell_length_c 13.76111451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 892aaef1-816e-4212-ae7d-637ee53b0ccd | mp-1026568 | Insert a Ra atom in the line between atoms at indices 6 and 8, and the inserted atom must be 2.22 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural CsMg14Sb
_chemical_formula_sum "Cs1 Mg14 Sb1"
_cell_length_a 6.5134399
_cell_length_b 6.51343935
_cell_length_c 11.12332739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural CsMg14SbRa
_chemical_formula_sum "Cs1 Mg14 Sb1 Ra1"
_cell_length_a 6.5134399
_cell_length_b 6.51343935
_cell_length_c 11.12332739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 0b99fa8f-7df7-4e79-9607-9b22f1268029 | mp-1216955 | Insert a K atom in the line between atoms at indices 1 and 4, and the inserted atom must be 4.21 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural U4SiNi7
_chemical_formula_sum "U4 Si1 Ni7"
_cell_length_a 5.07496906
_cell_length_b 5.074279
_cell_length_c 7.85478305
_cell_angle_alpha 90.0
_cell_angle_beta 89.98928875
_cell_angle_gamma 60.00449134
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U4SiNi7K
_chemical_formula_sum "U4 Si1 Ni7 K1"
_cell_length_a 5.07496906
_cell_length_b 5.074279
_cell_length_c 7.85478305
_cell_angle_alpha 90.0
_cell_angle_beta 89.98928875
_cell_angle_gamma 60.00449134
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 430bdb52-0b71-4cb6-be33-ef872c866709 | mp-753310 | Insert a Rg atom in the line between atoms at indices 12 and 4, and the inserted atom must be 3.17 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li2Cr3CuO8
_chemical_formula_sum "Li2 Cr3 Cu1 O8"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801200000... | data_image0
_chemical_formula_structural Li2Cr3CuO8Rg
_chemical_formula_sum "Li2 Cr3 Cu1 O8 Rg1"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801... |
InsertBetweenAtomsAction | 0b75f26a-ac1b-45c9-bf62-474fcaa33242 | mp-1193845 | Insert a Pb atom in the line between atoms at indices 3 and 28, and the inserted atom must be 2.47 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al7Cu16Pb
_chemical_formula_sum "Ho6 Al7 Cu16 Pb1"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
InsertBetweenAtomsAction | 7336ed4e-6e34-45a3-aa31-6c96f4c58a4c | mp-1176021 | Insert a W atom in the line between atoms at indices 2 and 1, and the inserted atom must be 1.55 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... | data_image0
_chemical_formula_structural Li9Mn2Co5O16W
_chemical_formula_sum "Li9 Mn2 Co5 O16 W1"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_g... |
InsertBetweenAtomsAction | d0d1eeb7-670d-4b01-b31d-388f3e7f9c3b | mp-1205633 | Insert a Au atom in the line between atoms at indices 0 and 8, and the inserted atom must be 0.79 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Cs3FeF6
_chemical_formula_sum "Cs3 Fe1 F6"
_cell_length_a 6.92799531
_cell_length_b 6.92799531
_cell_length_c 6.92799531
_cell_angle_alpha 121.95413026
_cell_angle_beta 121.95413026
_cell_angle_gamma 86.64741101
_space_group_name_H... | data_image0
_chemical_formula_structural Cs3FeF6Au
_chemical_formula_sum "Cs3 Fe1 F6 Au1"
_cell_length_a 6.92799531
_cell_length_b 6.92799531
_cell_length_c 6.92799531
_cell_angle_alpha 121.95413026
_cell_angle_beta 121.95413026
_cell_angle_gamma 86.64741101
_space_group_... |
InsertBetweenAtomsAction | acdecf9c-49b7-448b-945a-0962fa78ec35 | mp-1293179 | Insert a Te atom in the line between atoms at indices 10 and 3, and the inserted atom must be 0.65 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li8Co6Ni2O16
_chemical_formula_sum "Li8 Co6 Ni2 O16"
_cell_length_a 5.82200013
_cell_length_b 10.23037614
_cell_length_c 5.86302254
_cell_angle_alpha 73.58274774
_cell_angle_beta 60.346499339999994
_cell_angle_gamma 73.49113656
_sp... | data_image0
_chemical_formula_structural Li8Co6Ni2O16Te
_chemical_formula_sum "Li8 Co6 Ni2 O16 Te1"
_cell_length_a 5.82200013
_cell_length_b 10.23037614
_cell_length_c 5.86302254
_cell_angle_alpha 73.58274774
_cell_angle_beta 60.346499339999994
_cell_angle_gamma 73.4911365... |
InsertBetweenAtomsAction | a99d7cba-bc41-4a53-872b-21095d705e91 | mp-1227709 | Insert a O atom in the line between atoms at indices 22 and 31, and the inserted atom must be 1.18 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Bi2P6Pb6O24
_chemical_formula_sum "Bi2 P6 Pb6 O24"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... | data_image0
_chemical_formula_structural Bi2P6Pb6O25
_chemical_formula_sum "Bi2 P6 Pb6 O25"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... |
InsertBetweenAtomsAction | 68771f3a-d2e7-4a26-bab3-6ad7473b7125 | mp-1520366 | Insert a Nd atom in the line between atoms at indices 19 and 2, and the inserted atom must be 3.60 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Nb2Sb2O12
_chemical_formula_sum "Ba2 Sr2 Nb2 Sb2 O12"
_cell_length_a 6.0076562
_cell_length_b 5.99054509
_cell_length_c 8.48561242
_cell_angle_alpha 90.31490431
_cell_angle_beta 89.74584367999998
_cell_angle_gamma 89.698369430... | data_image0
_chemical_formula_structural Ba2Sr2Nb2Sb2O12Nd
_chemical_formula_sum "Ba2 Sr2 Nb2 Sb2 O12 Nd1"
_cell_length_a 6.0076562
_cell_length_b 5.99054509
_cell_length_c 8.48561242
_cell_angle_alpha 90.31490431
_cell_angle_beta 89.74584367999998
_cell_angle_gamma 89.698... |
InsertBetweenAtomsAction | 83ef6b9e-a042-4e70-87ac-8584fe82920c | mp-1199158 | Insert a Sb atom in the line between atoms at indices 15 and 19, and the inserted atom must be 4.38 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Tm22Sn20Sb
_chemical_formula_sum "Tm22 Sn20 Sb1"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_spa... |
InsertBetweenAtomsAction | ec7d9680-5ff5-429d-b557-aee32331badf | mp-3380 | Insert a N atom in the line between atoms at indices 5 and 1, and the inserted atom must be 4.98 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La4Rh4C8N
_chemical_formula_sum "La4 Rh4 C8 N1"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 | bb062ce1-9bcf-4183-8c44-a2c4ae689a55 | mp-704542 | Insert a Se atom in the line between atoms at indices 34 and 91, and the inserted atom must be 6.44 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge4W8C40Br8O40Se
_chemical_formula_sum "Ge4 W8 C40 Br8 O40 Se1"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 42dd4024-804c-4698-bfc8-fa9df930f450 | mp-1201283 | Insert a B atom in the line between atoms at indices 20 and 17, and the inserted atom must be 3.51 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Re4C4N4Cl12O8
_chemical_formula_sum "Re4 C4 N4 Cl12 O8"
_cell_length_a 9.34169111
_cell_length_b 9.34169111
_cell_length_c 17.2596905
_cell_angle_alpha 68.30552362
_cell_angle_beta 68.30552362
_cell_angle_gamma 53.79756123999999
_s... | data_image0
_chemical_formula_structural Re4C4N4Cl12O8B
_chemical_formula_sum "Re4 C4 N4 Cl12 O8 B1"
_cell_length_a 9.34169111
_cell_length_b 9.34169111
_cell_length_c 17.2596905
_cell_angle_alpha 68.30552362
_cell_angle_beta 68.30552362
_cell_angle_gamma 53.79756123999999... |
InsertBetweenAtomsAction | e55fe738-5e90-4a5b-9a48-d1da185a995d | mp-1111088 | Insert a Bk atom in the line between atoms at indices 5 and 0, and the inserted atom must be 1.90 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF6Bk
_chemical_formula_sum "Na2 Al1 Au1 F6 Bk1"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | a9015c73-a9e2-42e2-95b5-88ca67a92a41 | mp-779589 | Insert a Lr atom in the line between atoms at indices 52 and 78, and the inserted atom must be 7.19 angstrom from atom at 52 in the cif file. | data_image0
_chemical_formula_structural Na12Sb20O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_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 Na12Sb20O56Lr
_chemical_formula_sum "Na12 Sb20 O56 Lr1"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 3454e255-6214-4052-bbb2-8f8846a8b0f4 | mp-1228545 | Insert a Os atom in the line between atoms at indices 8 and 17, and the inserted atom must be 0.67 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13Os
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13 Os1"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090... |
InsertBetweenAtomsAction | 2dba8c5f-d7ff-46c7-b684-735707042746 | mp-760360 | Insert a Bi atom in the line between atoms at indices 6 and 11, and the inserted atom must be 2.03 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hf6N4O6Bi
_chemical_formula_sum "Hf6 N4 O6 Bi1"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | ed5724ab-4e9d-411c-ae16-f3e5dcd1bc67 | mp-1220828 | Insert a S atom in the line between atoms at indices 54 and 21, and the inserted atom must be 0.87 angstrom from atom at 54 in the cif file. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O48F8S
_chemical_formula_sum "Nb16 Pb12 O48 F8 S1"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_... |
InsertBetweenAtomsAction | 2a805f06-1145-4e67-a438-c441d8d67f66 | mp-1078810 | Insert a La atom in the line between atoms at indices 8 and 3, and the inserted atom must be 0.63 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sc4Sn2Au4La
_chemical_formula_sum "Sc4 Sn2 Au4 La1"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 7eaf5214-0db3-4558-ad7f-f22dc25b4f31 | mp-1523308 | Insert a In atom in the line between atoms at indices 23 and 1, and the inserted atom must be 2.56 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_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 Ba4Sr4Gd4Sb4O24In
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24 In1"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 53d4acd6-72e8-4875-bacb-5d92ca5ed936 | mp-1191291 | Insert a K atom in the line between atoms at indices 18 and 6, and the inserted atom must be 3.96 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg4S2Br8N4O6K
_chemical_formula_sum "Hg4 S2 Br8 N4 O6 K1"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | c35cf258-0739-42e0-a87b-1476f8ddef6b | mp-1101787 | Insert a Sc atom in the line between atoms at indices 0 and 5, and the inserted atom must be 0.97 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si10Sc
_chemical_formula_sum "La2 Si10 Sc1"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.6223092799... |
InsertBetweenAtomsAction | 36884734-a638-4489-83fe-7af7457b742f | mp-754097 | Insert a No atom in the line between atoms at indices 19 and 6, and the inserted atom must be 5.35 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... | data_image0
_chemical_formula_structural Li8Fe4B4O16No
_chemical_formula_sum "Li8 Fe4 B4 O16 No1"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_s... |
InsertBetweenAtomsAction | 95edb473-e479-4cf3-ad8b-351d99bab045 | mp-1105260 | Insert a Rg atom in the line between atoms at indices 3 and 10, and the inserted atom must be 8.85 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2Rg
_chemical_formula_sum "Tb8 In2 Ge8 Rh2 Rg1"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367... |
InsertBetweenAtomsAction | fe5508a8-d20a-45d7-adb5-ed7598668f03 | mp-1192752 | Insert a Rh atom in the line between atoms at indices 7 and 19, and the inserted atom must be 3.21 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural La2Cl6O14
_chemical_formula_sum "La2 Cl6 O14"
_cell_length_a 7.55993153
_cell_length_b 7.38760346
_cell_length_c 8.209004269999998
_cell_angle_alpha 91.29101192999998
_cell_angle_beta 82.63722464
_cell_angle_gamma 80.39460949
_spac... | data_image0
_chemical_formula_structural La2Cl6O14Rh
_chemical_formula_sum "La2 Cl6 O14 Rh1"
_cell_length_a 7.55993153
_cell_length_b 7.38760346
_cell_length_c 8.209004269999998
_cell_angle_alpha 91.29101192999998
_cell_angle_beta 82.63722464
_cell_angle_gamma 80.39460949
... |
InsertBetweenAtomsAction | 8dba24cf-3d0b-4632-ba4d-cdbaa86ce4e4 | mp-1207428 | Insert a Ag atom in the line between atoms at indices 10 and 7, and the inserted atom must be 1.28 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4Ag
_chemical_formula_sum "Zr4 Ni4 As4 Ag1"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | df25cf46-5bd2-4ec3-bc68-4f8eed4c8954 | mp-600078 | Insert a Zn atom in the line between atoms at indices 4 and 33, and the inserted atom must be 9.01 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O36Zn
_chemical_formula_sum "Si18 O36 Zn1"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
... |
InsertBetweenAtomsAction | 7af7373f-c891-4058-b2be-c90dd1c86dc4 | mp-1175936 | Insert a Fr atom in the line between atoms at indices 23 and 9, and the inserted atom must be 5.37 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Fr
_chemical_formula_sum "Li9 Mn2 Co5 O16 Fr1"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411... |
InsertBetweenAtomsAction | 7979df58-9f6a-4cbb-a0cd-ffe1474c92a4 | mp-779298 | Insert a As atom in the line between atoms at indices 16 and 0, and the inserted atom must be 2.74 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... | data_image0
_chemical_formula_structural Mn8O13F3As
_chemical_formula_sum "Mn8 O13 F3 As1"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_spa... |
InsertBetweenAtomsAction | 79dcff13-7909-4f1d-9139-c33e068be023 | mp-1201935 | Insert a Os atom in the line between atoms at indices 50 and 23, and the inserted atom must be 1.57 angstrom from atom at 50 in the cif file. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H16O28Os
_chemical_formula_sum "K8 P8 H16 O28 Os1"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 9094acf9-d279-4036-a2c9-9ec9feb8c408 | mp-1226365 | Insert a Ag atom in the line between atoms at indices 10 and 7, and the inserted atom must be 2.52 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cs2Cu3NiF10
_chemical_formula_sum "Cs2 Cu3 Ni1 F10"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02061028... | data_image0
_chemical_formula_structural Cs2Cu3NiF10Ag
_chemical_formula_sum "Cs2 Cu3 Ni1 F10 Ag1"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02... |
InsertBetweenAtomsAction | 66fafbc2-6e28-4341-8747-5f1a4ff94100 | mp-2309 | Insert a Es atom in the line between atoms at indices 5 and 7, and the inserted atom must be 0.62 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Tm8S12
_chemical_formula_sum "Tm8 S12"
_cell_length_a 3.8706667
_cell_length_b 10.86108076
_cell_length_c 11.11103385
_cell_angle_alpha 108.9289019
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Tm8S12Es
_chemical_formula_sum "Tm8 S12 Es1"
_cell_length_a 3.8706667
_cell_length_b 10.86108076
_cell_length_c 11.11103385
_cell_angle_alpha 108.9289019
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 50e37507-1344-487c-a47e-34f263f01e97 | mp-2232505 | Insert a V atom in the line between atoms at indices 4 and 7, and the inserted atom must be 0.24 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ba2YMgFe3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_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 Ba2YMgFe3O8V
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8 V1"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 367971ea-5e28-43d9-8aae-8b92fe49277e | mp-759828 | Insert a Ho atom in the line between atoms at indices 26 and 3, and the inserted atom must be 1.60 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20Ho
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20 Ho1"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103... |
InsertBetweenAtomsAction | 3791c109-9f45-43e6-acc5-668602fc46f9 | mp-684003 | Insert a Am atom in the line between atoms at indices 65 and 66, and the inserted atom must be 4.82 angstrom from atom at 65 in the cif file. | data_image0
_chemical_formula_structural Ti18Fe4B16Ru36
_chemical_formula_sum "Ti18 Fe4 B16 Ru36"
_cell_length_a 17.595783
_cell_length_b 17.595783
_cell_length_c 2.996992
_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 Ti18Fe4B16Ru36Am
_chemical_formula_sum "Ti18 Fe4 B16 Ru36 Am1"
_cell_length_a 17.595783
_cell_length_b 17.595783
_cell_length_c 2.996992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 9a377310-2c75-4576-a6a1-8611dedf9564 | mp-1245147 | Insert a Ca atom in the line between atoms at indices 25 and 26, and the inserted atom must be 0.64 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr16Fe16O48Ca
_chemical_formula_sum "Cr16 Fe16 O48 Ca1"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856... |
InsertBetweenAtomsAction | cd8a23d0-ea54-4022-90e1-d082ef9a3f46 | mp-532538 | Insert a Hg atom in the line between atoms at indices 26 and 28, and the inserted atom must be 0.51 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Rb10Nd2Hf2Mo12O48
_chemical_formula_sum "Rb10 Nd2 Hf2 Mo12 O48"
_cell_length_a 14.7497935
_cell_length_b 14.7497935
_cell_length_c 14.749794130000002
_cell_angle_alpha 43.98461901999999
_cell_angle_beta 43.98461902
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rb10Nd2Hf2Mo12O48Hg
_chemical_formula_sum "Rb10 Nd2 Hf2 Mo12 O48 Hg1"
_cell_length_a 14.7497935
_cell_length_b 14.7497935
_cell_length_c 14.749794130000002
_cell_angle_alpha 43.98461901999999
_cell_angle_beta 43.98461902
_cell_angle_ga... |
InsertBetweenAtomsAction | 6cc26e7d-65d4-45d1-9e84-2d12d19c4939 | mp-1044867 | Insert a Tb atom in the line between atoms at indices 3 and 11, and the inserted atom must be 8.02 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Bi12O24
_chemical_formula_sum "Bi12 O24"
_cell_length_a 7.19961431
_cell_length_b 7.199614310000001
_cell_length_c 15.25134177
_cell_angle_alpha 87.77906003
_cell_angle_beta 87.77906003
_cell_angle_gamma 57.83700482999999
_space_gr... | data_image0
_chemical_formula_structural Bi12O24Tb
_chemical_formula_sum "Bi12 O24 Tb1"
_cell_length_a 7.19961431
_cell_length_b 7.199614310000001
_cell_length_c 15.25134177
_cell_angle_alpha 87.77906003
_cell_angle_beta 87.77906003
_cell_angle_gamma 57.83700482999999
_sp... |
InsertBetweenAtomsAction | f66a3bad-b0a2-4963-8557-55c8dad791b4 | mp-1233685 | Insert a Rn atom in the line between atoms at indices 37 and 11, and the inserted atom must be 2.42 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 7.03770128
_cell_length_b 8.2213695
_cell_length_c 9.56835443
_cell_angle_alpha 89.62753152
_cell_angle_beta 108.76427861
_cell_angle_gamma 89.79934385999998
_space_g... | data_image0
_chemical_formula_structural MgCo4P8O28Rn
_chemical_formula_sum "Mg1 Co4 P8 O28 Rn1"
_cell_length_a 7.03770128
_cell_length_b 8.2213695
_cell_length_c 9.56835443
_cell_angle_alpha 89.62753152
_cell_angle_beta 108.76427861
_cell_angle_gamma 89.79934385999998
_s... |
InsertBetweenAtomsAction | 357759c4-fadd-442d-b2d4-bdf93add02e6 | mp-1258846 | Insert a Lu atom in the line between atoms at indices 43 and 25, and the inserted atom must be 3.18 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Mn4Zn6Si8O28
_chemical_formula_sum "Mn4 Zn6 Si8 O28"
_cell_length_a 9.2103793
_cell_length_b 9.2103793
_cell_length_c 9.954029250000001
_cell_angle_alpha 60.30029680999999
_cell_angle_beta 60.30029680999999
_cell_angle_gamma 49.8941... | data_image0
_chemical_formula_structural Mn4Zn6Si8O28Lu
_chemical_formula_sum "Mn4 Zn6 Si8 O28 Lu1"
_cell_length_a 9.2103793
_cell_length_b 9.2103793
_cell_length_c 9.954029250000001
_cell_angle_alpha 60.30029680999999
_cell_angle_beta 60.30029680999999
_cell_angle_gamma 4... |
InsertBetweenAtomsAction | a61ab45f-2cbc-40f6-aa47-a1bb08025279 | mp-1225140 | Insert a Y atom in the line between atoms at indices 23 and 3, and the inserted atom must be 4.26 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Fe2H14C6N2O12
_chemical_formula_sum "Fe2 H14 C6 N2 O12"
_cell_length_a 7.3093874
_cell_length_b 7.44999789
_cell_length_c 8.4872623
_cell_angle_alpha 90.21790051
_cell_angle_beta 90.00000283
_cell_angle_gamma 60.62240100999999
_spa... | data_image0
_chemical_formula_structural Fe2H14C6N2O12Y
_chemical_formula_sum "Fe2 H14 C6 N2 O12 Y1"
_cell_length_a 7.3093874
_cell_length_b 7.44999789
_cell_length_c 8.4872623
_cell_angle_alpha 90.21790051
_cell_angle_beta 90.00000283
_cell_angle_gamma 60.62240100999999
... |
InsertBetweenAtomsAction | 7f115005-6039-4d78-a577-30472d4ab724 | mp-1026930 | Insert a O atom in the line between atoms at indices 9 and 11, and the inserted atom must be 2.31 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Te2MoW3Se2S4
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_gro... | data_image0
_chemical_formula_structural Te2MoW3Se2S4O
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4 O1"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space... |
InsertBetweenAtomsAction | 14f669b4-e0d7-4782-958b-364520f2f916 | mp-756031 | Insert a H atom in the line between atoms at indices 12 and 6, and the inserted atom must be 3.26 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... | data_image0
_chemical_formula_structural Li4Co4O2F12H
_chemical_formula_sum "Li4 Co4 O2 F12 H1"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
... |
InsertBetweenAtomsAction | 3b10efc1-0a94-4207-9f55-01d8d02cd1d2 | mp-9619 | Insert a Zr atom in the line between atoms at indices 14 and 15, and the inserted atom must be 2.63 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12Zr
_chemical_formula_sum "Th1 Fe4 P12 Zr1"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_gro... |
InsertBetweenAtomsAction | 326d5780-0e87-4400-a3c5-88197106220f | mp-2228606 | Insert a U atom in the line between atoms at indices 2 and 1, and the inserted atom must be 1.78 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ba2LaMgCu3O7
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_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 Ba2LaMgCu3O7U
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7 U1"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 98d8f785-1130-4139-be50-21425a29180e | mp-1223453 | Insert a Pa atom in the line between atoms at indices 5 and 0, and the inserted atom must be 2.62 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 La2Ga5Au3Pa
_chemical_formula_sum "La2 Ga5 Au3 Pa1"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 | 00fe7495-7501-4e14-a2f2-1e53c79eb79a | mp-624221 | Insert a Pd atom in the line between atoms at indices 15 and 10, and the inserted atom must be 3.86 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge6Rh10Pd
_chemical_formula_sum "Ge6 Rh10 Pd1"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name... |
InsertBetweenAtomsAction | 92e35a36-01f2-4f15-8021-d9025ec7096f | mp-771174 | Insert a Mo atom in the line between atoms at indices 23 and 22, and the inserted atom must be 0.69 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8B8O20Mo
_chemical_formula_sum "Ba8 B8 O20 Mo1"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 04bc0289-adea-475e-b7e2-6e61b6bfddcf | mp-1214515 | Insert a Rf atom in the line between atoms at indices 51 and 7, and the inserted atom must be 4.08 angstrom from atom at 51 in the cif file. | data_image0
_chemical_formula_structural Ba12Tm4Al8O30
_chemical_formula_sum "Ba12 Tm4 Al8 O30"
_cell_length_a 5.929251
_cell_length_b 7.914349
_cell_length_c 18.43934658
_cell_angle_alpha 88.44465196
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba12Tm4Al8O30Rf
_chemical_formula_sum "Ba12 Tm4 Al8 O30 Rf1"
_cell_length_a 5.929251
_cell_length_b 7.914349
_cell_length_c 18.43934658
_cell_angle_alpha 88.44465196
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 3ef13557-9d84-422f-9a2c-2f00976d3a46 | mp-27271 | Insert a Zr atom in the line between atoms at indices 17 and 52, and the inserted atom must be 10.80 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... | data_image0
_chemical_formula_structural Tl16Ge10O28Zr
_chemical_formula_sum "Tl16 Ge10 O28 Zr1"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 2c483474-19db-4da9-9c9f-c526d9bfb7f7 | mp-1079670 | Insert a W atom in the line between atoms at indices 4 and 0, and the inserted atom must be 2.53 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural TmSbPb2O6
_chemical_formula_sum "Tm1 Sb1 Pb2 O6"
_cell_length_a 5.86582045
_cell_length_b 5.86582045
_cell_length_c 5.912130119999999
_cell_angle_alpha 90.56522585999998
_cell_angle_beta 119.42116751000002
_cell_angle_gamma 119.6666... | data_image0
_chemical_formula_structural TmSbPb2O6W
_chemical_formula_sum "Tm1 Sb1 Pb2 O6 W1"
_cell_length_a 5.86582045
_cell_length_b 5.86582045
_cell_length_c 5.912130119999999
_cell_angle_alpha 90.56522585999998
_cell_angle_beta 119.42116751000002
_cell_angle_gamma 119.... |
InsertBetweenAtomsAction | db4c1f78-4231-43bc-b881-69a53db757eb | mp-753525 | Insert a Lv atom in the line between atoms at indices 14 and 0, and the inserted atom must be 0.88 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural V4O4F12
_chemical_formula_sum "V4 O4 F12"
_cell_length_a 5.35979
_cell_length_b 5.35979
_cell_length_c 9.21233
_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_n... | data_image0
_chemical_formula_structural V4O4F12Lv
_chemical_formula_sum "V4 O4 F12 Lv1"
_cell_length_a 5.35979
_cell_length_b 5.35979
_cell_length_c 9.21233
_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... |
InsertBetweenAtomsAction | 577148fd-f4a0-4ce0-b1fa-535d185e1aed | mp-753610 | Insert a Mn atom in the line between atoms at indices 2 and 11, and the inserted atom must be 3.70 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Ca2I8Mn
_chemical_formula_sum "Ba2 Ca2 I8 Mn1"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M... |
InsertBetweenAtomsAction | 45b615e2-6dd3-4025-9fb7-0937eda126df | mp-30276 | Insert a Ru atom in the line between atoms at indices 21 and 33, and the inserted atom must be 7.51 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... | data_image0
_chemical_formula_structural Ce20Ga10Cl8Ru
_chemical_formula_sum "Ce20 Ga10 Cl8 Ru1"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467... |
InsertBetweenAtomsAction | 6387a062-f833-48cf-8c8b-f66b4eb26fc3 | mp-887412 | Insert a Pb atom in the line between atoms at indices 31 and 23, and the inserted atom must be 7.43 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48Pb
_chemical_formula_sum "Li12 Mn2 V6 P12 O48 Pb1"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
... |
InsertBetweenAtomsAction | c8f1ef4e-e77d-47fd-830c-c102507e9434 | mp-6268 | Insert a Mt atom in the line between atoms at indices 26 and 55, and the inserted atom must be 2.91 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_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 K8Ti8P8O40Mt
_chemical_formula_sum "K8 Ti8 P8 O40 Mt1"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 89f08673-17fe-48f5-8368-a79be4aec813 | mp-756993 | Insert a Ti atom in the line between atoms at indices 2 and 19, and the inserted atom must be 0.89 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14Ti
_chemical_formula_sum "Li4 Co2 P4 O14 Ti1"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
... |
InsertBetweenAtomsAction | c3d4d266-588e-4ad2-aa4c-b30ff81eb5a7 | mp-1074681 | Insert a Pm atom in the line between atoms at indices 7 and 9, and the inserted atom must be 1.66 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... | data_image0
_chemical_formula_structural Mg8Si4Pm
_chemical_formula_sum "Mg8 Si4 Pm1"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_grou... |
InsertBetweenAtomsAction | 7e3318ee-6ff5-4b91-a05e-8419256aca2e | mp-1329603 | Insert a Mc atom in the line between atoms at indices 60 and 58, and the inserted atom must be 4.55 angstrom from atom at 60 in the cif file. | data_image0
_chemical_formula_structural Co25Ru5O40
_chemical_formula_sum "Co25 Ru5 O40"
_cell_length_a 5.973115
_cell_length_b 6.03675527
_cell_length_c 24.66371742
_cell_angle_alpha 96.50873011000002
_cell_angle_beta 89.95766884
_cell_angle_gamma 119.43259165
_space_gro... | data_image0
_chemical_formula_structural Co25Ru5O40Mc
_chemical_formula_sum "Co25 Ru5 O40 Mc1"
_cell_length_a 5.973115
_cell_length_b 6.03675527
_cell_length_c 24.66371742
_cell_angle_alpha 96.50873011000002
_cell_angle_beta 89.95766884
_cell_angle_gamma 119.43259165
_spa... |
InsertBetweenAtomsAction | 524a89fc-ce63-492e-a1fc-14c5fa7f03f0 | mp-1214345 | Insert a Ag atom in the line between atoms at indices 33 and 27, and the inserted atom must be 7.28 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Ba2Si24Pt10
_chemical_formula_sum "Ba2 Si24 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667499999... | data_image0
_chemical_formula_structural Ba2Si24Pt10Ag
_chemical_formula_sum "Ba2 Si24 Pt10 Ag1"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.