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 | 4ee37dc8-a67a-450d-aa3a-cd1a06cf00e5 | mp-566278 | Insert a Bh atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.05 angstrom from atom at 9 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 W4O12Bh
_chemical_formula_sum "W4 O12 Bh1"
_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 | 670d05b5-bc2f-4350-a9d6-8dc919378692 | mp-849652 | Insert a S atom in the line between atoms at indices 4 and 17, and the inserted atom must be 0.92 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li3Ti2Cu3O10
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_sp... | data_image0
_chemical_formula_structural Li3Ti2Cu3O10S
_chemical_formula_sum "Li3 Ti2 Cu3 O10 S1"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
... |
InsertBetweenAtomsAction | 0bff4d94-143b-4a32-b2d8-55d600c4cb88 | mp-1103082 | Insert a Os atom in the line between atoms at indices 1 and 11, and the inserted atom must be 1.29 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sm2Co6Ni2B2
_chemical_formula_sum "Sm2 Co6 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm2Co6Ni2B2Os
_chemical_formula_sum "Sm2 Co6 Ni2 B2 Os1"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | e3ee8a06-f56d-49e0-890d-fcca31485fcd | mp-554185 | Insert a Ga atom in the line between atoms at indices 57 and 42, and the inserted atom must be 1.07 angstrom from atom at 57 in the cif file. | data_image0
_chemical_formula_structural Al16P16O64
_chemical_formula_sum "Al16 P16 O64"
_cell_length_a 13.383214
_cell_length_b 13.383214
_cell_length_c 14.232741730000003
_cell_angle_alpha 82.59023077999998
_cell_angle_beta 82.59023077999998
_cell_angle_gamma 62.55849402... | data_image0
_chemical_formula_structural Al16P16O64Ga
_chemical_formula_sum "Al16 P16 O64 Ga1"
_cell_length_a 13.383214
_cell_length_b 13.383214
_cell_length_c 14.232741730000003
_cell_angle_alpha 82.59023077999998
_cell_angle_beta 82.59023077999998
_cell_angle_gamma 62.55... |
InsertBetweenAtomsAction | 826c9960-ada6-4797-bb8c-a3fbc1a37bb7 | mp-757246 | Insert a La atom in the line between atoms at indices 11 and 1, and the inserted atom must be 1.09 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li4Ti6V2O16
_chemical_formula_sum "Li4 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
... | data_image0
_chemical_formula_structural Li4Ti6V2O16La
_chemical_formula_sum "Li4 Ti6 V2 O16 La1"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.6809... |
InsertBetweenAtomsAction | fa768988-3630-40e4-9536-d311c441d882 | mp-1516711 | Insert a Ca atom in the line between atoms at indices 7 and 12, and the inserted atom must be 2.71 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_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 Sr8Sm4Nb4O24Ca
_chemical_formula_sum "Sr8 Sm4 Nb4 O24 Ca1"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3d3108f4-f5ec-4bee-9a00-90dda175ce18 | mp-1236137 | Insert a Hf atom in the line between atoms at indices 7 and 5, and the inserted atom must be 3.42 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural LiY4Bi4O12
_chemical_formula_sum "Li1 Y4 Bi4 O12"
_cell_length_a 5.96680956
_cell_length_b 6.0726233800000005
_cell_length_c 9.440687
_cell_angle_alpha 92.39237984999998
_cell_angle_beta 88.64828208
_cell_angle_gamma 94.05135863
_s... | data_image0
_chemical_formula_structural LiY4Bi4O12Hf
_chemical_formula_sum "Li1 Y4 Bi4 O12 Hf1"
_cell_length_a 5.96680956
_cell_length_b 6.0726233800000005
_cell_length_c 9.440687
_cell_angle_alpha 92.39237984999998
_cell_angle_beta 88.64828208
_cell_angle_gamma 94.051358... |
InsertBetweenAtomsAction | a45e03f6-2546-43e5-ba60-bdc5754bb425 | mp-771159 | Insert a Og atom in the line between atoms at indices 9 and 12, and the inserted atom must be 1.96 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16Og
_chemical_formula_sum "Li4 V6 W2 O16 Og1"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 94f6f501-e7ab-4ca8-87b4-3f75e2edf9a3 | mp-505712 | Insert a Nb atom in the line between atoms at indices 10 and 8, and the inserted atom must be 7.57 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6Nb
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6 Nb1"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_grou... |
InsertBetweenAtomsAction | 511740aa-6fbd-434f-9fa9-65fe709ed296 | mp-1193265 | Insert a Ba atom in the line between atoms at indices 19 and 7, and the inserted atom must be 5.41 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_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 Na12Sb4Se12Ba
_chemical_formula_sum "Na12 Sb4 Se12 Ba1"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ecd5e71d-977b-48bd-aea1-f898acae1d7a | mp-1191147 | Insert a Fe atom in the line between atoms at indices 3 and 10, and the inserted atom must be 2.00 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sm2Fe12P7
_chemical_formula_sum "Sm2 Fe12 P7"
_cell_length_a 9.02490835
_cell_length_b 9.02490835
_cell_length_c 3.659076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sm2Fe12P7Fe
_chemical_formula_sum "Sm2 Fe13 P7"
_cell_length_a 9.02490835
_cell_length_b 9.02490835
_cell_length_c 3.659076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | dcf93906-bc68-4c37-8873-49734dcb6dde | mp-2236954 | Insert a Og atom in the line between atoms at indices 0 and 10, and the inserted atom must be 0.49 angstrom from atom at 0 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 Co6O6F6Og
_chemical_formula_sum "Co6 O6 F6 Og1"
_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 | 7d561827-fdba-4588-904b-08e5c7e36d62 | mp-1032565 | Insert a Sb atom in the line between atoms at indices 2 and 6, and the inserted atom must be 1.94 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_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 Mg6ZnBiO8Sb
_chemical_formula_sum "Mg6 Zn1 Bi1 O8 Sb1"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | fa1aae47-7d36-4371-8025-e5e891bc6646 | mp-1079659 | Insert a Xe atom in the line between atoms at indices 7 and 4, and the inserted atom must be 1.13 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_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 Ta2B4Mo4Xe
_chemical_formula_sum "Ta2 B4 Mo4 Xe1"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_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 | 150283f1-19f5-4aa2-bd82-d39b66b36794 | mp-753901 | Insert a Hf atom in the line between atoms at indices 0 and 7, and the inserted atom must be 1.14 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Er4Cu2O8
_chemical_formula_sum "Er4 Cu2 O8"
_cell_length_a 6.48362809
_cell_length_b 6.483628090000001
_cell_length_c 5.467002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.09180630999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Er4Cu2O8Hf
_chemical_formula_sum "Er4 Cu2 O8 Hf1"
_cell_length_a 6.48362809
_cell_length_b 6.483628090000001
_cell_length_c 5.467002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.09180630999998
_space_group_nam... |
InsertBetweenAtomsAction | c4ad6cfd-0dac-4747-a736-5218b125e6a3 | mp-863373 | Insert a Sc atom in the line between atoms at indices 40 and 62, and the inserted atom must be 2.43 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Li12Co12P12O48
_chemical_formula_sum "Li12 Co12 P12 O48"
_cell_length_a 7.521903
_cell_length_b 8.49533
_cell_length_c 16.88228373
_cell_angle_alpha 60.10124674000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Li12Co12P12O48Sc
_chemical_formula_sum "Li12 Co12 P12 O48 Sc1"
_cell_length_a 7.521903
_cell_length_b 8.49533
_cell_length_c 16.88228373
_cell_angle_alpha 60.10124674000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
InsertBetweenAtomsAction | 3fe4e52e-a604-455f-989d-783f3dcec5f2 | mp-31691 | Insert a Cr atom in the line between atoms at indices 8 and 43, and the inserted atom must be 2.93 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 7.95490816
_cell_length_b 7.954908499999999
_cell_length_c 10.48992031
_cell_angle_alpha 88.26967111
_cell_angle_beta 91.73033275
_cell_angle_gamma 65.44205188999999
... | data_image0
_chemical_formula_structural Li4Cr4P8O28Cr
_chemical_formula_sum "Li4 Cr5 P8 O28"
_cell_length_a 7.95490816
_cell_length_b 7.954908499999999
_cell_length_c 10.48992031
_cell_angle_alpha 88.26967111
_cell_angle_beta 91.73033275
_cell_angle_gamma 65.4420518899999... |
InsertBetweenAtomsAction | 45027ecc-5e35-403a-b43b-937604ca6349 | mp-1233765 | Insert a Cu atom in the line between atoms at indices 3 and 6, and the inserted atom must be 1.90 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH20Br4N4O4Cu
_chemical_formula_sum "Mg1 H20 Br4 N4 O4 Cu1"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.772341... |
InsertBetweenAtomsAction | c311d962-1cad-49c0-94fd-972a239483bd | mp-1104062 | Insert a Xe atom in the line between atoms at indices 7 and 4, and the inserted atom must be 5.01 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sr2Ga4Se8Xe
_chemical_formula_sum "Sr2 Ga4 Se8 Xe1"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_... |
InsertBetweenAtomsAction | b173159b-c3bd-4d2b-9c5c-3bbdea0555e7 | mp-1223078 | Insert a Np atom in the line between atoms at indices 5 and 8, and the inserted atom must be 0.65 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... | data_image0
_chemical_formula_structural La4PtO7Np
_chemical_formula_sum "La4 Pt1 O7 Np1"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group... |
InsertBetweenAtomsAction | 1472a7c4-507e-4fd3-afc4-8d167a6f9723 | mp-1079383 | Insert a Eu atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.74 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce4In2Cu4Eu
_chemical_formula_sum "Ce4 In2 Cu4 Eu1"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 | 2c0bb4f7-2929-4b18-832a-f54cee923cbe | mp-753944 | Insert a Cr atom in the line between atoms at indices 8 and 9, and the inserted atom must be 1.83 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li8Mn6O10F6
_chemical_formula_sum "Li8 Mn6 O10 F6"
_cell_length_a 2.933047
_cell_length_b 15.76265863
_cell_length_c 6.733708979999999
_cell_angle_alpha 90.22832932
_cell_angle_beta 77.42159341
_cell_angle_gamma 90.00017755
_space_... | data_image0
_chemical_formula_structural Li8Mn6O10F6Cr
_chemical_formula_sum "Li8 Mn6 O10 F6 Cr1"
_cell_length_a 2.933047
_cell_length_b 15.76265863
_cell_length_c 6.733708979999999
_cell_angle_alpha 90.22832932
_cell_angle_beta 77.42159341
_cell_angle_gamma 90.00017755
_... |
InsertBetweenAtomsAction | c43f3bec-8a7e-420f-9a81-410c71bc71af | mp-557540 | Insert a Hs atom in the line between atoms at indices 13 and 8, and the inserted atom must be 3.45 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Rb8Ag4Sb4S16
_chemical_formula_sum "Rb8 Ag4 Sb4 S16"
_cell_length_a 10.992473
_cell_length_b 8.381543
_cell_length_c 13.37265562
_cell_angle_alpha 52.668803270000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Rb8Ag4Sb4S16Hs
_chemical_formula_sum "Rb8 Ag4 Sb4 S16 Hs1"
_cell_length_a 10.992473
_cell_length_b 8.381543
_cell_length_c 13.37265562
_cell_angle_alpha 52.668803270000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | df855e35-a2ab-41af-8776-ffd13e90ef88 | mp-1239127 | Insert a Tb atom in the line between atoms at indices 12 and 6, and the inserted atom must be 3.27 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_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 Hf4Cr4Cu4S16Tb
_chemical_formula_sum "Hf4 Cr4 Cu4 S16 Tb1"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | e0b9b278-5533-4e4c-83fb-9c17b9ad0a64 | mp-2215902 | Insert a Zn atom in the line between atoms at indices 14 and 5, and the inserted atom must be 0.53 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural MgCu2Rh4O8
_chemical_formula_sum "Mg1 Cu2 Rh4 O8"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_spac... | data_image0
_chemical_formula_structural MgCu2Rh4O8Zn
_chemical_formula_sum "Mg1 Cu2 Rh4 O8 Zn1"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
... |
InsertBetweenAtomsAction | 7e568cd1-a826-47a0-a740-d94ae9f8ee67 | mp-21286 | Insert a Dy atom in the line between atoms at indices 0 and 7, and the inserted atom must be 1.33 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn4Co4Ge4Dy
_chemical_formula_sum "Mn4 Co4 Ge4 Dy1"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | ed00beb6-4321-4d5f-a8c4-3e61a1edb6b3 | mp-770748 | Insert a C atom in the line between atoms at indices 11 and 24, and the inserted atom must be 4.53 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 Gd12Ta4O28C
_chemical_formula_sum "Gd12 Ta4 O28 C1"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 | 4acc7eea-5c8b-4416-9823-6dcf63a0b148 | mp-1212973 | Insert a K atom in the line between atoms at indices 1 and 9, and the inserted atom must be 2.60 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... | data_image0
_chemical_formula_structural Eu3Ti2O7K
_chemical_formula_sum "Eu3 Ti2 O7 K1"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.63113356000000... |
InsertBetweenAtomsAction | 7cb2f75d-2ced-4ae4-9912-6c56e2697259 | mp-1181553 | Insert a Pu atom in the line between atoms at indices 8 and 0, and the inserted atom must be 2.10 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Dy10Tl6
_chemical_formula_sum "Dy10 Tl6"
_cell_length_a 8.95511876
_cell_length_b 8.95525361
_cell_length_c 6.647105889999999
_cell_angle_alpha 90.00000222
_cell_angle_beta 89.99999846
_cell_angle_gamma 120.00027852
_space_group_na... | data_image0
_chemical_formula_structural Dy10Tl6Pu
_chemical_formula_sum "Dy10 Tl6 Pu1"
_cell_length_a 8.95511876
_cell_length_b 8.95525361
_cell_length_c 6.647105889999999
_cell_angle_alpha 90.00000222
_cell_angle_beta 89.99999846
_cell_angle_gamma 120.00027852
_space_gr... |
InsertBetweenAtomsAction | b8926023-cc7d-4b9a-b898-bb5cfcc089dc | mp-1193684 | Insert a Ga atom in the line between atoms at indices 23 and 18, and the inserted atom must be 3.40 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Fe6Si4O18
_chemical_formula_sum "Fe6 Si4 O18"
_cell_length_a 5.29336253
_cell_length_b 5.2933625300000005
_cell_length_c 14.47968119
_cell_angle_alpha 89.37314443
_cell_angle_beta 89.37314443
_cell_angle_gamma 119.26640457000002
_s... | data_image0
_chemical_formula_structural Fe6Si4O18Ga
_chemical_formula_sum "Fe6 Si4 O18 Ga1"
_cell_length_a 5.29336253
_cell_length_b 5.2933625300000005
_cell_length_c 14.47968119
_cell_angle_alpha 89.37314443
_cell_angle_beta 89.37314443
_cell_angle_gamma 119.266404570000... |
InsertBetweenAtomsAction | 9ed5dbc4-f619-4468-b629-c1275ca8b019 | mp-23792 | Insert a Tm atom in the line between atoms at indices 19 and 29, and the inserted atom must be 0.47 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18Tm
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18 Tm1"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999... |
InsertBetweenAtomsAction | 8c5cc30e-e3c0-44f0-bc60-39ce5009039a | mp-613 | Insert a Ce atom in the line between atoms at indices 6 and 9, and the inserted atom must be 1.84 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Te4Pd6Ce
_chemical_formula_sum "Te4 Pd6 Ce1"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | fc1fc6a4-6ace-4a81-bca6-f86d30893a21 | mp-1194067 | Insert a Tb atom in the line between atoms at indices 8 and 1, and the inserted atom must be 2.37 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2Tb
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2 Tb1"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group... |
InsertBetweenAtomsAction | 3d3bfb94-827b-4f2e-9070-0a6cba9f7f08 | mp-1228692 | Insert a Mo atom in the line between atoms at indices 65 and 8, and the inserted atom must be 0.89 angstrom from atom at 65 in the cif file. | data_image0
_chemical_formula_structural BaCaZr8P12O48
_chemical_formula_sum "Ba1 Ca1 Zr8 P12 O48"
_cell_length_a 8.917607
_cell_length_b 9.36286206
_cell_length_c 12.9291506
_cell_angle_alpha 93.81950518
_cell_angle_beta 90.00062041
_cell_angle_gamma 90.00663963
_space_g... | data_image0
_chemical_formula_structural BaCaZr8P12O48Mo
_chemical_formula_sum "Ba1 Ca1 Zr8 P12 O48 Mo1"
_cell_length_a 8.917607
_cell_length_b 9.36286206
_cell_length_c 12.9291506
_cell_angle_alpha 93.81950518
_cell_angle_beta 90.00062041
_cell_angle_gamma 90.00663963
_s... |
InsertBetweenAtomsAction | d75b4c5d-ff85-4ef7-9b06-a6677c55084f | mp-2217543 | Insert a Lv atom in the line between atoms at indices 10 and 5, and the inserted atom must be 1.53 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... | data_image0
_chemical_formula_structural MgCoP2O7Lv
_chemical_formula_sum "Mg1 Co1 P2 O7 Lv1"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962... |
InsertBetweenAtomsAction | 05e1f5a6-1193-4c01-a742-003c5fcd0f48 | mp-1204580 | Insert a Sg atom in the line between atoms at indices 16 and 9, and the inserted atom must be 3.40 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Nd2H12S2N2O20
_chemical_formula_sum "Nd2 H12 S2 N2 O20"
_cell_length_a 6.15457797
_cell_length_b 6.97092337
_cell_length_c 8.92426997
_cell_angle_alpha 90.0
_cell_angle_beta 93.69777155
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nd2H12S2N2O20Sg
_chemical_formula_sum "Nd2 H12 S2 N2 O20 Sg1"
_cell_length_a 6.15457797
_cell_length_b 6.97092337
_cell_length_c 8.92426997
_cell_angle_alpha 90.0
_cell_angle_beta 93.69777155
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | c121b3d5-0b5f-4433-a9e6-c0e41a818c34 | mp-1041307 | Insert a Hf atom in the line between atoms at indices 1 and 11, and the inserted atom must be 1.35 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ho2Zn2W4O12
_chemical_formula_sum "Ho2 Zn2 W4 O12"
_cell_length_a 5.507471
_cell_length_b 5.837335
_cell_length_c 7.87867697
_cell_angle_alpha 87.8951239
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ho2Zn2W4O12Hf
_chemical_formula_sum "Ho2 Zn2 W4 O12 Hf1"
_cell_length_a 5.507471
_cell_length_b 5.837335
_cell_length_c 7.87867697
_cell_angle_alpha 87.8951239
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 8e68685a-60cb-4f8a-8527-f917d62a4b38 | mp-758242 | Insert a Fr atom in the line between atoms at indices 22 and 3, and the inserted atom must be 5.70 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... | data_image0
_chemical_formula_structural Li2P6W4O24Fr
_chemical_formula_sum "Li2 P6 W4 O24 Fr1"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288... |
InsertBetweenAtomsAction | 88552081-2596-4440-b917-ca3430c09286 | mp-1209592 | Insert a Lr atom in the line between atoms at indices 29 and 27, and the inserted atom must be 4.00 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural P8O24Lr
_chemical_formula_sum "P8 O24 Lr1"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 3fa5b345-af08-4346-a62e-574aecf19cdf | mp-600520 | Insert a Bh atom in the line between atoms at indices 34 and 19, and the inserted atom must be 1.62 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16Bh
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16 Bh1"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 3b3c7dc2-760d-47b0-9700-ba7af5c2396e | mp-768946 | Insert a Lv atom in the line between atoms at indices 27 and 28, and the inserted atom must be 3.38 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li8Cr6Co2O16Lv
_chemical_formula_sum "Li8 Cr6 Co2 O16 Lv1"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_spa... |
InsertBetweenAtomsAction | 2e88484e-69c0-44f8-8001-3486d8fb2a71 | mp-1233765 | Insert a Sg atom in the line between atoms at indices 6 and 20, and the inserted atom must be 0.64 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH20Br4N4O4Sg
_chemical_formula_sum "Mg1 H20 Br4 N4 O4 Sg1"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.772341... |
InsertBetweenAtomsAction | cdd9cd6a-0526-41d2-ad7b-e108b83b8d69 | mp-1638898 | Insert a Es atom in the line between atoms at indices 19 and 14, and the inserted atom must be 2.19 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li4Fe2P2H2O10
_chemical_formula_sum "Li4 Fe2 P2 H2 O10"
_cell_length_a 5.43196326
_cell_length_b 5.52898179
_cell_length_c 7.60347552
_cell_angle_alpha 108.45345149000002
_cell_angle_beta 110.28523021999999
_cell_angle_gamma 93.8252... | data_image0
_chemical_formula_structural Li4Fe2P2H2O10Es
_chemical_formula_sum "Li4 Fe2 P2 H2 O10 Es1"
_cell_length_a 5.43196326
_cell_length_b 5.52898179
_cell_length_c 7.60347552
_cell_angle_alpha 108.45345149000002
_cell_angle_beta 110.28523021999999
_cell_angle_gamma 9... |
InsertBetweenAtomsAction | 425913c0-5eec-42d4-81c0-652a40ef5668 | mp-1522800 | Insert a Se atom in the line between atoms at indices 5 and 3, and the inserted atom must be 1.64 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural CaEuHfWO6
_chemical_formula_sum "Ca1 Eu1 Hf1 W1 O6"
_cell_length_a 5.79275101
_cell_length_b 5.792751009999999
_cell_length_c 5.792751009999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural CaEuHfWO6Se
_chemical_formula_sum "Ca1 Eu1 Hf1 W1 O6 Se1"
_cell_length_a 5.79275101
_cell_length_b 5.792751009999999
_cell_length_c 5.792751009999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_... |
InsertBetweenAtomsAction | 4e14d790-fdb4-4737-9950-a8df22751314 | mp-696283 | Insert a La atom in the line between atoms at indices 8 and 4, and the inserted atom must be 3.18 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... | data_image0
_chemical_formula_structural H8S8N12O2La
_chemical_formula_sum "H8 S8 N12 O2 La1"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_grou... |
InsertBetweenAtomsAction | 38131085-4efb-4264-b12d-baf17b21b7cb | mp-2898998 | Insert a Cn atom in the line between atoms at indices 12 and 13, and the inserted atom must be 9.71 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ca2Mn4O8
_chemical_formula_sum "Ca2 Mn4 O8"
_cell_length_a 6.76146264
_cell_length_b 6.76146264
_cell_length_c 10.40359285
_cell_angle_alpha 56.1154693
_cell_angle_beta 56.115469299999994
_cell_angle_gamma 24.612645530000012
_space... | data_image0
_chemical_formula_structural Ca2Mn4O8Cn
_chemical_formula_sum "Ca2 Mn4 O8 Cn1"
_cell_length_a 6.76146264
_cell_length_b 6.76146264
_cell_length_c 10.40359285
_cell_angle_alpha 56.1154693
_cell_angle_beta 56.115469299999994
_cell_angle_gamma 24.612645530000012
... |
InsertBetweenAtomsAction | 806ec445-ec1b-468f-8596-c065d55fff07 | mp-1200470 | Insert a Tm atom in the line between atoms at indices 23 and 8, and the inserted atom must be 0.76 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Ca6Co8Sn26
_chemical_formula_sum "Ca6 Co8 Sn26"
_cell_length_a 9.639199
_cell_length_b 9.639199
_cell_length_c 9.639199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Ca6Co8Sn26Tm
_chemical_formula_sum "Ca6 Co8 Sn26 Tm1"
_cell_length_a 9.639199
_cell_length_b 9.639199
_cell_length_c 9.639199
_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 | 70715e5c-b666-4908-9aca-b60905563781 | mp-1208510 | Insert a Pr atom in the line between atoms at indices 8 and 13, and the inserted atom must be 4.17 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sr2YFe3O8
_chemical_formula_sum "Sr2 Y1 Fe3 O8"
_cell_length_a 3.90931
_cell_length_b 3.90931
_cell_length_c 11.948726
_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 Sr2YFe3O8Pr
_chemical_formula_sum "Sr2 Y1 Fe3 O8 Pr1"
_cell_length_a 3.90931
_cell_length_b 3.90931
_cell_length_c 11.948726
_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 | 53dd1a2c-1ab0-448b-8afd-7b7dfadd77d0 | mp-1195087 | Insert a Eu atom in the line between atoms at indices 11 and 14, and the inserted atom must be 1.30 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_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 Tl16Pb4Se12Eu
_chemical_formula_sum "Tl16 Pb4 Se12 Eu1"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 090a8a9d-feb2-4ba2-b881-00fc6c8526c6 | mp-5861 | Insert a Sb atom in the line between atoms at indices 3 and 29, and the inserted atom must be 3.43 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Tm8Fe56B4
_chemical_formula_sum "Tm8 Fe56 B4"
_cell_length_a 8.709902
_cell_length_b 8.709902
_cell_length_c 11.818414
_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 Tm8Fe56B4Sb
_chemical_formula_sum "Tm8 Fe56 B4 Sb1"
_cell_length_a 8.709902
_cell_length_b 8.709902
_cell_length_c 11.818414
_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 | 48456085-89cb-439e-ac11-5a71c962779a | mp-1199296 | Insert a Rb atom in the line between atoms at indices 25 and 14, and the inserted atom must be 3.51 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Gd5P12Ru19
_chemical_formula_sum "Gd5 P12 Ru19"
_cell_length_a 12.47882132
_cell_length_b 12.47876775
_cell_length_c 3.97836817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99985794
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Gd5P12Ru19Rb
_chemical_formula_sum "Gd5 P12 Ru19 Rb1"
_cell_length_a 12.47882132
_cell_length_b 12.47876775
_cell_length_c 3.97836817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99985794
_space_group_name_H-M... |
InsertBetweenAtomsAction | 97613632-3983-4f7c-9c5d-76feeb8432af | mp-1213886 | Insert a Kr atom in the line between atoms at indices 40 and 12, and the inserted atom must be 4.02 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce8Tl8F40Kr
_chemical_formula_sum "Ce8 Tl8 F40 Kr1"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_... |
InsertBetweenAtomsAction | 3ab9e2cd-0fd8-478b-91d8-e962d69559d7 | mp-1104546 | Insert a Hf atom in the line between atoms at indices 4 and 13, and the inserted atom must be 6.06 angstrom from atom at 4 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 Co2B6Mo6Hf
_chemical_formula_sum "Co2 B6 Mo6 Hf1"
_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_... |
InsertBetweenAtomsAction | e543e913-644c-4e39-813f-a79dbe50964d | mp-1644899 | Insert a Hs atom in the line between atoms at indices 28 and 3, and the inserted atom must be 2.35 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24Hs
_chemical_formula_sum "Li6 V4 C8 O24 Hs1"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_g... |
InsertBetweenAtomsAction | df831392-72c5-40fd-8467-b436b0bd1535 | mp-1247503 | Insert a S atom in the line between atoms at indices 5 and 1, and the inserted atom must be 0.67 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 Mn4Cu2N4S
_chemical_formula_sum "Mn4 Cu2 N4 S1"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 | 71cf784e-5080-4815-951b-51046b65364f | mp-1033104 | Insert a I atom in the line between atoms at indices 4 and 8, and the inserted atom must be 1.87 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mg6AlZnO8
_chemical_formula_sum "Mg6 Al1 Zn1 O8"
_cell_length_a 8.5797983
_cell_length_b 4.30447278
_cell_length_c 4.30447278
_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 Mg6AlZnO8I
_chemical_formula_sum "Mg6 Al1 Zn1 O8 I1"
_cell_length_a 8.5797983
_cell_length_b 4.30447278
_cell_length_c 4.30447278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 1a98b9c5-d7aa-42cc-b01f-0218feb7d2fd | mp-1019708 | Insert a Os atom in the line between atoms at indices 39 and 26, and the inserted atom must be 0.46 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28Os
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28 Os1"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | 42b15269-63a2-4bfa-8d74-15106bff6982 | mp-780331 | Insert a Ho atom in the line between atoms at indices 16 and 21, and the inserted atom must be 0.63 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.107436
_cell_length_b 11.530895760000002
_cell_length_c 6.081616399999999
_cell_angle_alpha 90.04130526
_cell_angle_beta 89.99877151
_cell_angle_gamma 89.99512489
... | data_image0
_chemical_formula_structural Li4Mn4P4O16Ho
_chemical_formula_sum "Li4 Mn4 P4 O16 Ho1"
_cell_length_a 5.107436
_cell_length_b 11.530895760000002
_cell_length_c 6.081616399999999
_cell_angle_alpha 90.04130526
_cell_angle_beta 89.99877151
_cell_angle_gamma 89.9951... |
InsertBetweenAtomsAction | 124cd5e2-aacc-4d34-b8c6-90a8520cd9f1 | mp-540267 | Insert a S atom in the line between atoms at indices 9 and 7, and the inserted atom must be 5.05 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14S
_chemical_formula_sum "Cr2 P4 O14 S1"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_gro... |
InsertBetweenAtomsAction | a0357a9c-7b0b-4e11-84aa-ff8a79b608a1 | mp-1147737 | Insert a Kr atom in the line between atoms at indices 0 and 8, and the inserted atom must be 1.64 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnP2S8Kr
_chemical_formula_sum "Li4 Zn1 P2 S8 Kr1"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_spa... |
InsertBetweenAtomsAction | 85a23c35-f7fd-4490-a2e0-78fa99764eaf | mp-1193573 | Insert a Sn atom in the line between atoms at indices 9 and 12, and the inserted atom must be 5.41 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... | data_image0
_chemical_formula_structural Eu2Ni18Ge8Sn
_chemical_formula_sum "Eu2 Ni18 Ge8 Sn1"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445... |
InsertBetweenAtomsAction | f70da423-7740-49de-9439-04e34ebcc1d5 | mp-755181 | Insert a Ar atom in the line between atoms at indices 2 and 15, and the inserted atom must be 0.60 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7Ar
_chemical_formula_sum "V4 O5 F7 Ar1"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group... |
InsertBetweenAtomsAction | c2d85bae-9d37-4bf7-a4e5-6acb356671dc | mp-1103845 | Insert a Ba atom in the line between atoms at indices 6 and 0, and the inserted atom must be 1.39 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Co2S2O10
_chemical_formula_sum "Co2 S2 O10"
_cell_length_a 5.24041662
_cell_length_b 5.24041662
_cell_length_c 7.340449699999999
_cell_angle_alpha 108.82113058999998
_cell_angle_beta 108.82113058999998
_cell_angle_gamma 97.5566005
... | data_image0
_chemical_formula_structural Co2S2O10Ba
_chemical_formula_sum "Co2 S2 O10 Ba1"
_cell_length_a 5.24041662
_cell_length_b 5.24041662
_cell_length_c 7.340449699999999
_cell_angle_alpha 108.82113058999998
_cell_angle_beta 108.82113058999998
_cell_angle_gamma 97.556... |
InsertBetweenAtomsAction | 4bce944b-deb5-447a-b65f-351aa48224e2 | mp-1216936 | Insert a Ce atom in the line between atoms at indices 8 and 1, and the inserted atom must be 5.07 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural U4TeSe7
_chemical_formula_sum "U4 Te1 Se7"
_cell_length_a 4.170615
_cell_length_b 7.613506
_cell_length_c 9.15650564
_cell_angle_alpha 89.56521396000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural U4TeSe7Ce
_chemical_formula_sum "U4 Te1 Se7 Ce1"
_cell_length_a 4.170615
_cell_length_b 7.613506
_cell_length_c 9.15650564
_cell_angle_alpha 89.56521396000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 48d33e0e-e3f4-40bf-8769-57d3e9111670 | mp-734561 | Insert a F atom in the line between atoms at indices 7 and 39, and the inserted atom must be 3.82 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Rb6P6H8O24
_chemical_formula_sum "Rb6 P6 H8 O24"
_cell_length_a 8.708768
_cell_length_b 9.72170004
_cell_length_c 9.78200371
_cell_angle_alpha 119.44829971
_cell_angle_beta 111.72985164999999
_cell_angle_gamma 86.26054615
_space_gr... | data_image0
_chemical_formula_structural Rb6P6H8O24F
_chemical_formula_sum "Rb6 P6 H8 O24 F1"
_cell_length_a 8.708768
_cell_length_b 9.72170004
_cell_length_c 9.78200371
_cell_angle_alpha 119.44829971
_cell_angle_beta 111.72985164999999
_cell_angle_gamma 86.26054615
_spac... |
InsertBetweenAtomsAction | 1899144c-1e9e-4b86-ba79-37a90d5cf8d1 | mp-1110620 | Insert a Pr atom in the line between atoms at indices 0 and 2, and the inserted atom must be 2.67 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6Pr
_chemical_formula_sum "Na2 Tl1 Co1 F6 Pr1"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958... |
InsertBetweenAtomsAction | 07ba728d-f658-4a8c-8cbb-908243f0b181 | mp-695890 | Insert a W atom in the line between atoms at indices 23 and 60, and the inserted atom must be 3.38 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Mg20Si6H8O36
_chemical_formula_sum "Mg20 Si6 H8 O36"
_cell_length_a 5.163712
_cell_length_b 8.828419
_cell_length_c 14.134205
_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 Mg20Si6H8O36W
_chemical_formula_sum "Mg20 Si6 H8 O36 W1"
_cell_length_a 5.163712
_cell_length_b 8.828419
_cell_length_c 14.134205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | ffc20c55-eb0a-4690-8650-b7085cc21062 | mp-2228948 | Insert a Ge atom in the line between atoms at indices 3 and 6, and the inserted atom must be 2.05 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10Ge
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10 Ge1"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102... |
InsertBetweenAtomsAction | 93942d95-4d23-4c89-98a1-fe1258f640cd | mp-1045731 | Insert a Bi atom in the line between atoms at indices 70 and 26, and the inserted atom must be 2.61 angstrom from atom at 70 in the cif file. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56Bi
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56 Bi1"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_ga... |
InsertBetweenAtomsAction | a830a070-e1ed-496d-af77-bfac80497334 | mp-800838 | Insert a Cf atom in the line between atoms at indices 36 and 15, and the inserted atom must be 3.68 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... | data_image0
_chemical_formula_structural Mn2Al2P4H30O30Cf
_chemical_formula_sum "Mn2 Al2 P4 H30 O30 Cf1"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.0357... |
InsertBetweenAtomsAction | ab785088-dfcc-42fa-bd0d-4105c7b1ddc9 | mp-556061 | Insert a Co atom in the line between atoms at indices 15 and 32, and the inserted atom must be 5.83 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Cs4Sb8F44
_chemical_formula_sum "Cs4 Sb8 F44"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cs4Sb8F44Co
_chemical_formula_sum "Cs4 Sb8 F44 Co1"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | c16bda3b-eb97-4d9f-a7d0-48dd94a82843 | mp-1042925 | Insert a Ra atom in the line between atoms at indices 28 and 43, and the inserted atom must be 2.60 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Ca4V4As8O28
_chemical_formula_sum "Ca4 V4 As8 O28"
_cell_length_a 8.578659
_cell_length_b 8.136143
_cell_length_c 10.65287533
_cell_angle_alpha 60.72981673999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ca4V4As8O28Ra
_chemical_formula_sum "Ca4 V4 As8 O28 Ra1"
_cell_length_a 8.578659
_cell_length_b 8.136143
_cell_length_c 10.65287533
_cell_angle_alpha 60.72981673999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | f84b734a-068c-4bc5-83b4-5c13d3c8623a | mp-1207874 | Insert a Tb atom in the line between atoms at indices 21 and 12, and the inserted atom must be 0.95 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Y6Si7Ni16Tb
_chemical_formula_sum "Y6 Si7 Ni16 Tb1"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
InsertBetweenAtomsAction | e3776bfa-1508-4f0d-bef6-4b7e50074c91 | mp-17777 | Insert a Ru atom in the line between atoms at indices 24 and 19, and the inserted atom must be 1.34 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Sr10As6O24F2
_chemical_formula_sum "Sr10 As6 O24 F2"
_cell_length_a 10.16641641
_cell_length_b 10.16641641
_cell_length_c 7.49607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000270000001
_space_group_name_H... | data_image0
_chemical_formula_structural Sr10As6O24F2Ru
_chemical_formula_sum "Sr10 As6 O24 F2 Ru1"
_cell_length_a 10.16641641
_cell_length_b 10.16641641
_cell_length_c 7.49607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000270000001
_space_group_... |
InsertBetweenAtomsAction | bb90db1f-87e8-4b36-b6ec-e889d6539107 | mp-697253 | Insert a Ge atom in the line between atoms at indices 21 and 22, and the inserted atom must be 3.66 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural SiH12C2N6F6
_chemical_formula_sum "Si1 H12 C2 N6 F6"
_cell_length_a 7.34302716
_cell_length_b 7.34302716
_cell_length_c 6.25315057
_cell_angle_alpha 69.1722045
_cell_angle_beta 69.1722045
_cell_angle_gamma 59.76569175
_space_group_... | data_image0
_chemical_formula_structural SiH12C2N6F6Ge
_chemical_formula_sum "Si1 H12 C2 N6 F6 Ge1"
_cell_length_a 7.34302716
_cell_length_b 7.34302716
_cell_length_c 6.25315057
_cell_angle_alpha 69.1722045
_cell_angle_beta 69.1722045
_cell_angle_gamma 59.76569175
_space_... |
InsertBetweenAtomsAction | 5d29de53-9b00-45d6-9e2a-0e9353ad50ef | mp-16491 | Insert a Mc atom in the line between atoms at indices 0 and 8, and the inserted atom must be 5.02 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural SrAl9Co2
_chemical_formula_sum "Sr1 Al9 Co2"
_cell_length_a 7.84298531
_cell_length_b 7.84298407
_cell_length_c 3.89742083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000106999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural SrAl9Co2Mc
_chemical_formula_sum "Sr1 Al9 Co2 Mc1"
_cell_length_a 7.84298531
_cell_length_b 7.84298407
_cell_length_c 3.89742083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000106999998
_space_group_name_H-... |
InsertBetweenAtomsAction | 1228c5b9-cd08-44cd-9845-d7bd8f9080d6 | mp-1194512 | Insert a Es atom in the line between atoms at indices 18 and 17, and the inserted atom must be 0.61 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural V4Cu6O18
_chemical_formula_sum "V4 Cu6 O18"
_cell_length_a 6.556707
_cell_length_b 7.60968
_cell_length_c 7.78715794
_cell_angle_alpha 86.45493427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural V4Cu6O18Es
_chemical_formula_sum "V4 Cu6 O18 Es1"
_cell_length_a 6.556707
_cell_length_b 7.60968
_cell_length_c 7.78715794
_cell_angle_alpha 86.45493427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | e674111c-36ad-4f99-a503-80ae58aa9867 | mp-1196678 | Insert a Nb atom in the line between atoms at indices 47 and 44, and the inserted atom must be 0.45 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural In4Ag4P8H8O32
_chemical_formula_sum "In4 Ag4 P8 H8 O32"
_cell_length_a 6.71893036
_cell_length_b 6.77223216
_cell_length_c 14.998627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.62467366
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural In4Ag4P8H8O32Nb
_chemical_formula_sum "In4 Ag4 P8 H8 O32 Nb1"
_cell_length_a 6.71893036
_cell_length_b 6.77223216
_cell_length_c 14.998627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.62467366
_space_group_name... |
InsertBetweenAtomsAction | ad53894a-5d64-42a1-a418-afadf526018f | mp-23963 | Insert a In atom in the line between atoms at indices 5 and 16, and the inserted atom must be 3.14 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural H4I4O12
_chemical_formula_sum "H4 I4 O12"
_cell_length_a 5.716437
_cell_length_b 5.890396
_cell_length_c 8.00416
_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 H4I4O12In
_chemical_formula_sum "H4 I4 O12 In1"
_cell_length_a 5.716437
_cell_length_b 5.890396
_cell_length_c 8.00416
_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... |
InsertBetweenAtomsAction | 068c34fd-a3cc-452f-99c5-60f3dfe5414b | mp-1228061 | Insert a Sc atom in the line between atoms at indices 9 and 2, and the inserted atom must be 2.28 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba4Cu2IBrO4Sc
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4 Sc1"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | c503bf88-bd59-4796-895f-98482170dd1c | mp-1342975 | Insert a Fr atom in the line between atoms at indices 22 and 7, and the inserted atom must be 5.23 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ca4Ni8O16
_chemical_formula_sum "Ca4 Ni8 O16"
_cell_length_a 4.95341487
_cell_length_b 5.823023299999999
_cell_length_c 10.85513397
_cell_angle_alpha 94.38458175999999
_cell_angle_beta 90.01604898
_cell_angle_gamma 89.99700022
_spa... | data_image0
_chemical_formula_structural Ca4Ni8O16Fr
_chemical_formula_sum "Ca4 Ni8 O16 Fr1"
_cell_length_a 4.95341487
_cell_length_b 5.823023299999999
_cell_length_c 10.85513397
_cell_angle_alpha 94.38458175999999
_cell_angle_beta 90.01604898
_cell_angle_gamma 89.99700022... |
InsertBetweenAtomsAction | b8ff4ba1-1b85-4376-a59d-b217fa7cb5c5 | mp-1028276 | Insert a Nd atom in the line between atoms at indices 13 and 14, and the inserted atom must be 0.62 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural KMg14Sn
_chemical_formula_sum "K1 Mg14 Sn1"
_cell_length_a 6.48083808
_cell_length_b 6.48083754
_cell_length_c 10.86105586
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000276
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14SnNd
_chemical_formula_sum "K1 Mg14 Sn1 Nd1"
_cell_length_a 6.48083808
_cell_length_b 6.48083754
_cell_length_c 10.86105586
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000276
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 980d3875-b1fb-427e-a912-6058bb651d53 | mp-1238837 | Insert a Ne atom in the line between atoms at indices 38 and 26, and the inserted atom must be 3.02 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B24H24Ne
_chemical_formula_sum "B24 H24 Ne1"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_grou... |
InsertBetweenAtomsAction | 62e26c5d-253a-429a-843c-8c21e1ef9693 | mp-561248 | Insert a Fl atom in the line between atoms at indices 11 and 15, and the inserted atom must be 4.25 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_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 Sm8Cu8Te8S8Fl
_chemical_formula_sum "Sm8 Cu8 Te8 S8 Fl1"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 15ca6f45-52f2-4be9-bf8e-53e9479d9e34 | mp-7492 | Insert a Sb atom in the line between atoms at indices 9 and 1, and the inserted atom must be 0.63 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural La2B2O6
_chemical_formula_sum "La2 B2 O6"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2B2O6Sb
_chemical_formula_sum "La2 B2 O6 Sb1"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 06e3521c-79e4-4847-bbc9-a2e751f287c5 | mp-767328 | Insert a Ba atom in the line between atoms at indices 5 and 18, and the inserted atom must be 4.14 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li5Fe5Si7O24
_chemical_formula_sum "Li5 Fe5 Si7 O24"
_cell_length_a 7.864131
_cell_length_b 7.94624588
_cell_length_c 9.50522826
_cell_angle_alpha 89.03556867999998
_cell_angle_beta 89.68223595
_cell_angle_gamma 89.50975027000001
_... | data_image0
_chemical_formula_structural Li5Fe5Si7O24Ba
_chemical_formula_sum "Li5 Fe5 Si7 O24 Ba1"
_cell_length_a 7.864131
_cell_length_b 7.94624588
_cell_length_c 9.50522826
_cell_angle_alpha 89.03556867999998
_cell_angle_beta 89.68223595
_cell_angle_gamma 89.50975027000... |
InsertBetweenAtomsAction | f7fb2089-d1e8-4c56-a248-83ddc6125fc3 | mp-1147737 | Insert a Og atom in the line between atoms at indices 7 and 10, and the inserted atom must be 1.81 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnP2S8Og
_chemical_formula_sum "Li4 Zn1 P2 S8 Og1"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_spa... |
InsertBetweenAtomsAction | a38b2694-1692-41d3-856c-e66f2fd92e8e | mp-1046667 | Insert a P atom in the line between atoms at indices 6 and 13, and the inserted atom must be 1.96 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg2Co2P2O10
_chemical_formula_sum "Mg2 Co2 P2 O10"
_cell_length_a 5.289674
_cell_length_b 5.34162801
_cell_length_c 6.813073880000001
_cell_angle_alpha 104.21338557
_cell_angle_beta 103.98050196
_cell_angle_gamma 102.46780101999998
... | data_image0
_chemical_formula_structural Mg2Co2P2O10P
_chemical_formula_sum "Mg2 Co2 P3 O10"
_cell_length_a 5.289674
_cell_length_b 5.34162801
_cell_length_c 6.813073880000001
_cell_angle_alpha 104.21338557
_cell_angle_beta 103.98050196
_cell_angle_gamma 102.46780101999998... |
InsertBetweenAtomsAction | efd3421f-7ba5-4999-91a1-67459d3a1627 | mp-1198574 | Insert a Fl atom in the line between atoms at indices 21 and 53, and the inserted atom must be 5.51 angstrom from atom at 21 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 Mg4H32C12N8O24Fl
_chemical_formula_sum "Mg4 H32 C12 N8 O24 Fl1"
_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-... |
InsertBetweenAtomsAction | 7c54845b-617a-44b3-b86f-75c94f3bc4d1 | mp-2646935 | Insert a Rn atom in the line between atoms at indices 5 and 11, and the inserted atom must be 3.21 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ba4Gd2Ru2O12
_chemical_formula_sum "Ba4 Gd2 Ru2 O12"
_cell_length_a 6.01122416
_cell_length_b 6.001117
_cell_length_c 8.486485860000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.01897810999999
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba4Gd2Ru2O12Rn
_chemical_formula_sum "Ba4 Gd2 Ru2 O12 Rn1"
_cell_length_a 6.01122416
_cell_length_b 6.001117
_cell_length_c 8.486485860000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.01897810999999
_cell_angle_gamma 90.0
_space_g... |
InsertBetweenAtomsAction | a1ad0998-44d2-4ce6-bbb5-d30c45c0512b | mp-568136 | Insert a Co atom in the line between atoms at indices 15 and 4, and the inserted atom must be 3.81 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br18Co
_chemical_formula_sum "Rb6 V6 Br18 Co1"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950... |
InsertBetweenAtomsAction | 83dfc40c-eccb-41f1-9628-c43162c4f59a | mp-541140 | Insert a Ir atom in the line between atoms at indices 16 and 15, and the inserted atom must be 3.53 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Tl12Fe8S16
_chemical_formula_sum "Tl12 Fe8 S16"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Tl12Fe8S16Ir
_chemical_formula_sum "Tl12 Fe8 S16 Ir1"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 94d18e27-5539-408b-b08a-0b98c1c6add4 | mp-1211422 | Insert a Xe atom in the line between atoms at indices 6 and 0, and the inserted atom must be 2.58 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural K2Pt2Br6N2
_chemical_formula_sum "K2 Pt2 Br6 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2Pt2Br6N2Xe
_chemical_formula_sum "K2 Pt2 Br6 N2 Xe1"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | e4e5cbe7-7b6a-4e22-ae2e-00ee21136498 | mp-1046883 | Insert a He atom in the line between atoms at indices 4 and 13, and the inserted atom must be 8.23 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mg2Bi4O8
_chemical_formula_sum "Mg2 Bi4 O8"
_cell_length_a 6.83391127
_cell_length_b 6.83391127
_cell_length_c 6.83391127
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Mg2Bi4O8He
_chemical_formula_sum "Mg2 Bi4 O8 He1"
_cell_length_a 6.83391127
_cell_length_b 6.83391127
_cell_length_c 6.83391127
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
InsertBetweenAtomsAction | 2b246d65-549a-4baf-840d-5df7c2c64297 | mp-1197135 | Insert a Lr atom in the line between atoms at indices 25 and 26, and the inserted atom must be 2.69 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural La2N6O26
_chemical_formula_sum "La2 N6 O26"
_cell_length_a 11.044924
_cell_length_b 6.615585
_cell_length_c 6.69261613
_cell_angle_alpha 82.91353791
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural La2N6O26Lr
_chemical_formula_sum "La2 N6 O26 Lr1"
_cell_length_a 11.044924
_cell_length_b 6.615585
_cell_length_c 6.69261613
_cell_angle_alpha 82.91353791
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 4c55874b-8ae0-4a09-8335-6ee1008c60dc | mp-1222894 | Insert a Hs atom in the line between atoms at indices 17 and 11, and the inserted atom must be 4.48 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural LaNd3Ga4O12
_chemical_formula_sum "La1 Nd3 Ga4 O12"
_cell_length_a 7.82341
_cell_length_b 5.485925
_cell_length_c 5.59864177
_cell_angle_alpha 89.93353099000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural LaNd3Ga4O12Hs
_chemical_formula_sum "La1 Nd3 Ga4 O12 Hs1"
_cell_length_a 7.82341
_cell_length_b 5.485925
_cell_length_c 5.59864177
_cell_angle_alpha 89.93353099000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 9c684d92-0820-47e7-824a-4445d7c45456 | mp-756993 | Insert a Ra atom in the line between atoms at indices 19 and 21, and the inserted atom must be 1.58 angstrom from atom at 19 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 Li4Co2P4O14Ra
_chemical_formula_sum "Li4 Co2 P4 O14 Ra1"
_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 | 6c77cb40-1b42-4107-986f-3d81af785ca5 | mp-1032153 | Insert a Bh atom in the line between atoms at indices 13 and 14, and the inserted atom must be 3.91 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Mg6CoCuO8
_chemical_formula_sum "Mg6 Co1 Cu1 O8"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_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 Mg6CoCuO8Bh
_chemical_formula_sum "Mg6 Co1 Cu1 O8 Bh1"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 03a163f1-0ea4-4014-ad3f-2c2e56130ac8 | mp-1195727 | Insert a Og atom in the line between atoms at indices 39 and 1, and the inserted atom must be 2.10 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_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 K8Ca2U2Si8O28Og
_chemical_formula_sum "K8 Ca2 U2 Si8 O28 Og1"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 98253325-53fe-415e-94ca-a137a05ea75b | mp-780778 | Insert a Lu atom in the line between atoms at indices 33 and 69, and the inserted atom must be 1.54 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Li4Mn14P16O56
_chemical_formula_sum "Li4 Mn14 P16 O56"
_cell_length_a 6.67202827
_cell_length_b 6.67202827
_cell_length_c 24.49121
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.39535415999998
_space_group_name_H... | data_image0
_chemical_formula_structural Li4Mn14P16O56Lu
_chemical_formula_sum "Li4 Mn14 P16 O56 Lu1"
_cell_length_a 6.67202827
_cell_length_b 6.67202827
_cell_length_c 24.49121
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.39535415999998
_space_group_... |
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