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 | 30fce261-e10a-41ea-835a-be76bb86de32 | mp-1189829 | Insert a Ds atom in the line between atoms at indices 9 and 3, and the inserted atom must be 0.94 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural U4Ge8Ir4
_chemical_formula_sum "U4 Ge8 Ir4"
_cell_length_a 4.341078
_cell_length_b 8.796164
_cell_length_c 9.39900152
_cell_angle_alpha 117.90006183999999
_cell_angle_beta 103.35200369999998
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural U4Ge8Ir4Ds
_chemical_formula_sum "U4 Ge8 Ir4 Ds1"
_cell_length_a 4.341078
_cell_length_b 8.796164
_cell_length_c 9.39900152
_cell_angle_alpha 117.90006183999999
_cell_angle_beta 103.35200369999998
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | b4841ca9-5745-481d-9bcb-a16e4ad61935 | mp-1200008 | Insert a N atom in the line between atoms at indices 52 and 53, and the inserted atom must be 1.09 angstrom from atom at 52 in the cif file. | data_image0
_chemical_formula_structural Pu4P8H16C4O28
_chemical_formula_sum "Pu4 P8 H16 C4 O28"
_cell_length_a 8.84722716
_cell_length_b 8.86947314
_cell_length_c 9.753096969999998
_cell_angle_alpha 71.10712759
_cell_angle_beta 71.73905019
_cell_angle_gamma 81.69825214
_... | data_image0
_chemical_formula_structural Pu4P8H16C4O28N
_chemical_formula_sum "Pu4 P8 H16 C4 O28 N1"
_cell_length_a 8.84722716
_cell_length_b 8.86947314
_cell_length_c 9.753096969999998
_cell_angle_alpha 71.10712759
_cell_angle_beta 71.73905019
_cell_angle_gamma 81.6982521... |
InsertBetweenAtomsAction | 4b08be6b-dc6a-4e6d-b0c0-9349972ec11c | mp-753734 | Insert a K atom in the line between atoms at indices 9 and 13, and the inserted atom must be 0.51 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn4Cr2O12K
_chemical_formula_sum "Mn4 Cr2 O12 K1"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 4e497867-a653-47ff-9136-37dc477ad50c | mp-1026581 | Insert a F atom in the line between atoms at indices 10 and 13, and the inserted atom must be 2.15 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaSrMg14F
_chemical_formula_sum "Ba1 Sr1 Mg14 F1"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-... |
InsertBetweenAtomsAction | 46e947eb-326a-4bae-99ae-10c8c30cf485 | mp-1233053 | Insert a Ta atom in the line between atoms at indices 7 and 1, and the inserted atom must be 2.52 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural MgV8O8F8Ta
_chemical_formula_sum "Mg1 V8 O8 F8 Ta1"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_spac... |
InsertBetweenAtomsAction | ba4570fd-3752-42d8-bb3f-89a0a9bb0bee | mp-3887 | Insert a Nh atom in the line between atoms at indices 43 and 7, and the inserted atom must be 2.60 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16Nh
_chemical_formula_sum "Li24 Ga8 N16 Nh1"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.470385330000... |
InsertBetweenAtomsAction | cde4e9d9-dfb3-4386-be3c-c4ece4c2a50f | mp-652961 | Insert a B atom in the line between atoms at indices 27 and 1, and the inserted atom must be 3.47 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural La6Ga2Ge10O32
_chemical_formula_sum "La6 Ga2 Ge10 O32"
_cell_length_a 4.888958
_cell_length_b 8.21302788
_cell_length_c 15.866032
_cell_angle_alpha 90.74481896
_cell_angle_beta 94.27823965
_cell_angle_gamma 89.96125415
_space_group... | data_image0
_chemical_formula_structural La6Ga2Ge10O32B
_chemical_formula_sum "La6 Ga2 Ge10 O32 B1"
_cell_length_a 4.888958
_cell_length_b 8.21302788
_cell_length_c 15.866032
_cell_angle_alpha 90.74481896
_cell_angle_beta 94.27823965
_cell_angle_gamma 89.96125415
_space_g... |
InsertBetweenAtomsAction | d06dd278-e029-433c-9766-9371a76c0b83 | mp-630927 | Insert a B atom in the line between atoms at indices 4 and 5, and the inserted atom must be 9.95 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6B
_chemical_formula_sum "Pb4 Se1 Br6 B1"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_... |
InsertBetweenAtomsAction | 4ff9e349-44aa-4cb9-86bf-f6766530e28a | mp-625941 | Insert a Ds atom in the line between atoms at indices 2 and 7, and the inserted atom must be 0.72 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH6O6Ds
_chemical_formula_sum "Te1 H6 O6 Ds1"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599... |
InsertBetweenAtomsAction | 49768fe8-291c-44e9-a01b-6230872e7d2e | mp-754697 | Insert a Sm atom in the line between atoms at indices 23 and 25, and the inserted atom must be 2.69 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li4Co4P4O16
_chemical_formula_sum "Li4 Co4 P4 O16"
_cell_length_a 4.54832761
_cell_length_b 5.168608659999999
_cell_length_c 14.8595624
_cell_angle_alpha 94.92115909
_cell_angle_beta 93.81129762
_cell_angle_gamma 74.86495942
_space... | data_image0
_chemical_formula_structural Li4Co4P4O16Sm
_chemical_formula_sum "Li4 Co4 P4 O16 Sm1"
_cell_length_a 4.54832761
_cell_length_b 5.168608659999999
_cell_length_c 14.8595624
_cell_angle_alpha 94.92115909
_cell_angle_beta 93.81129762
_cell_angle_gamma 74.86495942
... |
InsertBetweenAtomsAction | 7af29e4d-9fba-4ee9-90fa-947b41c20fde | mp-1113179 | Insert a Tb atom in the line between atoms at indices 6 and 3, and the inserted atom must be 6.30 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2HgBiF6Tb
_chemical_formula_sum "Cs2 Hg1 Bi1 F6 Tb1"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | 4c715e62-8418-462d-9849-6e4e806c90d6 | mp-1234758 | Insert a Os atom in the line between atoms at indices 9 and 5, and the inserted atom must be 3.93 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cs4MgMn4H16Cl12O8
_chemical_formula_sum "Cs4 Mg1 Mn4 H16 Cl12 O8"
_cell_length_a 8.05932716
_cell_length_b 9.12067176
_cell_length_c 11.780563170000002
_cell_angle_alpha 91.71989576999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... | data_image0
_chemical_formula_structural Cs4MgMn4H16Cl12O8Os
_chemical_formula_sum "Cs4 Mg1 Mn4 H16 Cl12 O8 Os1"
_cell_length_a 8.05932716
_cell_length_b 9.12067176
_cell_length_c 11.780563170000002
_cell_angle_alpha 91.71989576999998
_cell_angle_beta 90.0
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 70002409-b038-478b-af38-98e630878176 | mp-1247343 | Insert a Ni atom in the line between atoms at indices 0 and 19, and the inserted atom must be 10.33 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12Ni
_chemical_formula_sum "Ca10 Ti4 N12 Ni1"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_s... |
InsertBetweenAtomsAction | 0f7c01f6-7072-4d76-85b7-99e76d32e83e | mp-1028304 | Insert a Br atom in the line between atoms at indices 5 and 13, and the inserted atom must be 2.00 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg14NbV
_chemical_formula_sum "Mg14 Nb1 V1"
_cell_length_a 6.33545752
_cell_length_b 6.18791402
_cell_length_c 10.08272657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.23257109000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14NbVBr
_chemical_formula_sum "Mg14 Nb1 V1 Br1"
_cell_length_a 6.33545752
_cell_length_b 6.18791402
_cell_length_c 10.08272657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.23257109000001
_space_group_name_H-... |
InsertBetweenAtomsAction | f9d07fff-79b5-4e34-8c7f-78304db5baa4 | mp-680301 | Insert a Am atom in the line between atoms at indices 39 and 10, and the inserted atom must be 6.63 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32Am
_chemical_formula_sum "K24 As8 O32 Am1"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H... |
InsertBetweenAtomsAction | f57d7940-8341-44eb-8533-719cf0f8d511 | mp-777845 | Insert a Tm atom in the line between atoms at indices 13 and 2, and the inserted atom must be 1.05 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Fe6O5F7
_chemical_formula_sum "Fe6 O5 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_name... | data_image0
_chemical_formula_structural Fe6O5F7Tm
_chemical_formula_sum "Fe6 O5 F7 Tm1"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_grou... |
InsertBetweenAtomsAction | 4d81b3a7-3b5c-4d33-bbb3-97a9a11dfe6b | mp-1106129 | Insert a F atom in the line between atoms at indices 16 and 12, and the inserted atom must be 5.31 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_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 Bi4Te2Br2O9F
_chemical_formula_sum "Bi4 Te2 Br2 O9 F1"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | c119a937-0f33-49de-8282-e19e3910c25c | mp-558497 | Insert a Ti atom in the line between atoms at indices 30 and 23, and the inserted atom must be 8.84 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Cr4P12O36
_chemical_formula_sum "Cr4 P12 O36"
_cell_length_a 6.5169054
_cell_length_b 13.29537631
_cell_length_c 8.40114427
_cell_angle_alpha 83.22808304
_cell_angle_beta 112.82234582999999
_cell_angle_gamma 89.99988923999999
_spac... | data_image0
_chemical_formula_structural Cr4P12O36Ti
_chemical_formula_sum "Cr4 P12 O36 Ti1"
_cell_length_a 6.5169054
_cell_length_b 13.29537631
_cell_length_c 8.40114427
_cell_angle_alpha 83.22808304
_cell_angle_beta 112.82234582999999
_cell_angle_gamma 89.99988923999999
... |
InsertBetweenAtomsAction | 3ce7b9c5-ce6a-4d87-bf8d-9bc48fec5c96 | mp-866339 | Insert a Mn atom in the line between atoms at indices 30 and 1, and the inserted atom must be 2.69 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Cd4P8O24
_chemical_formula_sum "Cd4 P8 O24"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
_space... | data_image0
_chemical_formula_structural Cd4P8O24Mn
_chemical_formula_sum "Cd4 P8 O24 Mn1"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
... |
InsertBetweenAtomsAction | 26f5da8a-1d53-4fb4-8e9e-fbd61cf8ade4 | mp-1647971 | Insert a Rf atom in the line between atoms at indices 24 and 19, and the inserted atom must be 1.96 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Li2V2P8H8O28
_chemical_formula_sum "Li2 V2 P8 H8 O28"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_space_gro... | data_image0
_chemical_formula_structural Li2V2P8H8O28Rf
_chemical_formula_sum "Li2 V2 P8 H8 O28 Rf1"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_spa... |
InsertBetweenAtomsAction | c4bdb5c3-acda-44a9-a77c-85929df12847 | mp-1028023 | Insert a Gd atom in the line between atoms at indices 12 and 14, and the inserted atom must be 1.92 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural YMg14WGd
_chemical_formula_sum "Y1 Mg14 W1 Gd1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b33afc30-e46a-4ae0-ba3c-0b565b8b3fe4 | mp-680301 | Insert a Yb atom in the line between atoms at indices 24 and 51, and the inserted atom must be 0.73 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32Yb
_chemical_formula_sum "K24 As8 O32 Yb1"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H... |
InsertBetweenAtomsAction | 1d89b053-6ef4-4505-9b6d-fff2591e8fa8 | mp-1247343 | Insert a Cn atom in the line between atoms at indices 17 and 14, and the inserted atom must be 4.19 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12Cn
_chemical_formula_sum "Ca10 Ti4 N12 Cn1"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_s... |
InsertBetweenAtomsAction | fa5046f1-d32d-4135-a777-0764cd9111d5 | mp-1221251 | Insert a Mn atom in the line between atoms at indices 3 and 24, and the inserted atom must be 1.56 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Na4NiAg2S8N5O12
_chemical_formula_sum "Na4 Ni1 Ag2 S8 N5 O12"
_cell_length_a 10.28224903
_cell_length_b 10.282249029999997
_cell_length_c 10.28224903
_cell_angle_alpha 94.8151889
_cell_angle_beta 94.8151889
_cell_angle_gamma 146.316... | data_image0
_chemical_formula_structural Na4NiAg2S8N5O12Mn
_chemical_formula_sum "Na4 Ni1 Ag2 S8 N5 O12 Mn1"
_cell_length_a 10.28224903
_cell_length_b 10.282249029999997
_cell_length_c 10.28224903
_cell_angle_alpha 94.8151889
_cell_angle_beta 94.8151889
_cell_angle_gamma 1... |
InsertBetweenAtomsAction | 8f328d98-2962-45b8-90f3-10485f491003 | mp-768784 | Insert a Mo atom in the line between atoms at indices 19 and 46, and the inserted atom must be 1.62 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li24Mn5Cr7O36
_chemical_formula_sum "Li24 Mn5 Cr7 O36"
_cell_length_a 5.004966
_cell_length_b 9.74726665
_cell_length_c 13.310921080000002
_cell_angle_alpha 97.17720346
_cell_angle_beta 100.57243927
_cell_angle_gamma 94.482967350000... | data_image0
_chemical_formula_structural Li24Mn5Cr7O36Mo
_chemical_formula_sum "Li24 Mn5 Cr7 O36 Mo1"
_cell_length_a 5.004966
_cell_length_b 9.74726665
_cell_length_c 13.310921080000002
_cell_angle_alpha 97.17720346
_cell_angle_beta 100.57243927
_cell_angle_gamma 94.482967... |
InsertBetweenAtomsAction | f80bf453-cd65-49da-83f8-ff2872709e10 | mp-1209619 | Insert a Lu atom in the line between atoms at indices 4 and 9, and the inserted atom must be 2.28 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF6Lu
_chemical_formula_sum "Rb3 Bi1 F6 Lu1"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_... |
InsertBetweenAtomsAction | 93fd5957-fab2-4c29-8638-cbb0ef92dda6 | mp-770612 | Insert a Nh atom in the line between atoms at indices 48 and 51, and the inserted atom must be 4.43 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural Li16Cr4H32S4O28
_chemical_formula_sum "Li16 Cr4 H32 S4 O28"
_cell_length_a 13.15412
_cell_length_b 5.357776
_cell_length_c 10.54289254
_cell_angle_alpha 74.92902081
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li16Cr4H32S4O28Nh
_chemical_formula_sum "Li16 Cr4 H32 S4 O28 Nh1"
_cell_length_a 13.15412
_cell_length_b 5.357776
_cell_length_c 10.54289254
_cell_angle_alpha 74.92902081
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | f5bf71e3-b7cb-4c86-8a63-9b81284b1992 | mp-1006615 | Insert a Bh atom in the line between atoms at indices 46 and 9, and the inserted atom must be 4.40 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4N24Cl20
_chemical_formula_sum "Cr4 Cu4 N24 Cl20"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_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 Cr4Cu4N24Cl20Bh
_chemical_formula_sum "Cr4 Cu4 N24 Cl20 Bh1"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | a1e1cb71-871e-4de4-baa6-0e3493079b72 | mp-3653 | Insert a Ta atom in the line between atoms at indices 7 and 3, and the inserted atom must be 0.48 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 Mg2Sb4O12Ta
_chemical_formula_sum "Mg2 Sb4 O12 Ta1"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 8be6fbe0-7723-4bcd-a966-bd2001ce87d1 | mp-571384 | Insert a Tb atom in the line between atoms at indices 9 and 14, and the inserted atom must be 1.19 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural KMnAg3C6N6
_chemical_formula_sum "K1 Mn1 Ag3 C6 N6"
_cell_length_a 6.97062583
_cell_length_b 6.9706258299999995
_cell_length_c 8.160555
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999839
_space_group_name_H... | data_image0
_chemical_formula_structural KMnAg3C6N6Tb
_chemical_formula_sum "K1 Mn1 Ag3 C6 N6 Tb1"
_cell_length_a 6.97062583
_cell_length_b 6.9706258299999995
_cell_length_c 8.160555
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999839
_space_group_... |
InsertBetweenAtomsAction | a9e10087-d238-4636-b08c-38eb4544e95a | mp-1101293 | Insert a N atom in the line between atoms at indices 8 and 22, and the inserted atom must be 1.61 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ti3VNi2P6O24
_chemical_formula_sum "Ti3 V1 Ni2 P6 O24"
_cell_length_a 8.52010519
_cell_length_b 8.52010519
_cell_length_c 8.52010481
_cell_angle_alpha 60.95679372
_cell_angle_beta 60.95679372
_cell_angle_gamma 60.9567941
_space_gro... | data_image0
_chemical_formula_structural Ti3VNi2P6O24N
_chemical_formula_sum "Ti3 V1 Ni2 P6 O24 N1"
_cell_length_a 8.52010519
_cell_length_b 8.52010519
_cell_length_c 8.52010481
_cell_angle_alpha 60.95679372
_cell_angle_beta 60.95679372
_cell_angle_gamma 60.9567941
_space... |
InsertBetweenAtomsAction | b56e38cc-692d-4520-90fc-971878661662 | mp-1226365 | Insert a Bi atom in the line between atoms at indices 0 and 8, and the inserted atom must be 4.36 angstrom from atom at 0 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 Cs2Cu3NiF10Bi
_chemical_formula_sum "Cs2 Cu3 Ni1 F10 Bi1"
_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 | 24e32de2-5e82-49b1-9e02-707582c70d69 | mp-1247343 | Insert a Nb atom in the line between atoms at indices 6 and 8, and the inserted atom must be 7.12 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12Nb
_chemical_formula_sum "Ca10 Ti4 N12 Nb1"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_s... |
InsertBetweenAtomsAction | a35002ea-8638-4213-945f-7135c360985b | mp-779515 | Insert a Zr atom in the line between atoms at indices 0 and 18, and the inserted atom must be 3.33 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Na8Bi4C8S2O32
_chemical_formula_sum "Na8 Bi4 C8 S2 O32"
_cell_length_a 10.61164822
_cell_length_b 10.52422481
_cell_length_c 10.19810692
_cell_angle_alpha 61.582151870000004
_cell_angle_beta 60.72171207
_cell_angle_gamma 57.69613606... | data_image0
_chemical_formula_structural Na8Bi4C8S2O32Zr
_chemical_formula_sum "Na8 Bi4 C8 S2 O32 Zr1"
_cell_length_a 10.61164822
_cell_length_b 10.52422481
_cell_length_c 10.19810692
_cell_angle_alpha 61.582151870000004
_cell_angle_beta 60.72171207
_cell_angle_gamma 57.69... |
InsertBetweenAtomsAction | 04ba020d-a22c-43b5-9efd-dd3e4c9b4cb6 | mp-627632 | Insert a Hg atom in the line between atoms at indices 13 and 31, and the inserted atom must be 2.72 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Si16H8O36
_chemical_formula_sum "Si16 H8 O36"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001
_spa... | data_image0
_chemical_formula_structural Si16H8O36Hg
_chemical_formula_sum "Si16 H8 O36 Hg1"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001... |
InsertBetweenAtomsAction | 944d097a-81e4-46ba-9bea-7d2a6670bbea | mp-1220089 | Insert a Al atom in the line between atoms at indices 13 and 0, and the inserted atom must be 2.86 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ni4Ge3As9
_chemical_formula_sum "Ni4 Ge3 As9"
_cell_length_a 7.2328248
_cell_length_b 7.2328248
_cell_length_c 8.28778353
_cell_angle_alpha 55.02923720999999
_cell_angle_beta 55.02923720999999
_cell_angle_gamma 71.21250094
_space_g... | data_image0
_chemical_formula_structural Ni4Ge3As9Al
_chemical_formula_sum "Ni4 Ge3 As9 Al1"
_cell_length_a 7.2328248
_cell_length_b 7.2328248
_cell_length_c 8.28778353
_cell_angle_alpha 55.02923720999999
_cell_angle_beta 55.02923720999999
_cell_angle_gamma 71.21250094
_s... |
InsertBetweenAtomsAction | c898ac1f-1168-49aa-acf4-d11d4d7fcaf2 | mp-558350 | Insert a Si atom in the line between atoms at indices 60 and 25, and the inserted atom must be 5.26 angstrom from atom at 60 in the cif file. | data_image0
_chemical_formula_structural Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_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 Zn16Te8Br16O24Si
_chemical_formula_sum "Zn16 Te8 Br16 O24 Si1"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 317d71ed-fd89-4fc5-b7f9-9bc17c18eb3b | mp-31502 | Insert a He atom in the line between atoms at indices 7 and 0, and the inserted atom must be 0.35 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Sc2Cd14
_chemical_formula_sum "Sc2 Cd14"
_cell_length_a 6.23775799
_cell_length_b 6.23775693
_cell_length_c 9.31748608
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.08722032999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sc2Cd14He
_chemical_formula_sum "Sc2 Cd14 He1"
_cell_length_a 6.23775799
_cell_length_b 6.23775693
_cell_length_c 9.31748608
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.08722032999998
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 44a49e86-e993-488e-b7cf-9231bcba4093 | mp-1102412 | Insert a Mg atom in the line between atoms at indices 1 and 4, and the inserted atom must be 3.06 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Cr4O8
_chemical_formula_sum "Cr4 O8"
_cell_length_a 4.26593859
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Cr4O8Mg
_chemical_formula_sum "Cr4 O8 Mg1"
_cell_length_a 4.26593859
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | f32d99dd-1844-4723-a10e-c8d52efdc7f8 | mp-1214552 | Insert a Ba atom in the line between atoms at indices 27 and 44, and the inserted atom must be 0.57 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural Ba8Cu6Si40Ba
_chemical_formula_sum "Ba9 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
... |
InsertBetweenAtomsAction | e4c001e4-253c-4ae1-8131-5ce4ff1d1262 | mp-1223668 | Insert a La atom in the line between atoms at indices 6 and 12, and the inserted atom must be 7.62 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural KMnSn3O8
_chemical_formula_sum "K1 Mn1 Sn3 O8"
_cell_length_a 7.554677
_cell_length_b 7.554677
_cell_length_c 10.45240758
_cell_angle_alpha 47.099600049999985
_cell_angle_beta 47.099600049999985
_cell_angle_gamma 24.819459619999993
... | data_image0
_chemical_formula_structural KMnSn3O8La
_chemical_formula_sum "K1 Mn1 Sn3 O8 La1"
_cell_length_a 7.554677
_cell_length_b 7.554677
_cell_length_c 10.45240758
_cell_angle_alpha 47.099600049999985
_cell_angle_beta 47.099600049999985
_cell_angle_gamma 24.8194596199... |
InsertBetweenAtomsAction | 004084eb-ae2a-495d-aec7-42c4a576c655 | mp-18010 | Insert a Ir atom in the line between atoms at indices 22 and 2, and the inserted atom must be 0.79 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ta4Pd6Se16
_chemical_formula_sum "Ta4 Pd6 Se16"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_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 Ta4Pd6Se16Ir
_chemical_formula_sum "Ta4 Pd6 Se16 Ir1"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | a985f17f-e39e-498e-a0ad-c233377ba2bb | mp-1519716 | Insert a Rf atom in the line between atoms at indices 19 and 16, and the inserted atom must be 2.43 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Pr4Mg4Bi8O24
_chemical_formula_sum "Pr4 Mg4 Bi8 O24"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_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 Pr4Mg4Bi8O24Rf
_chemical_formula_sum "Pr4 Mg4 Bi8 O24 Rf1"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | c6edb2cf-8dba-4e84-9534-5b44b87aa40d | mp-20083 | Insert a Cf atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.04 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4Cf
_chemical_formula_sum "Sc4 Cu4 Si4 Cf1"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 19938e25-ab95-475d-b178-7c7212908f85 | mp-772223 | Insert a Ir atom in the line between atoms at indices 19 and 42, and the inserted atom must be 2.91 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12Fe4B8O24Ir
_chemical_formula_sum "Na12 Fe4 B8 O24 Ir1"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | f1224a54-e7c4-4e00-a620-86c1a029fadc | mp-1026412 | Insert a W atom in the line between atoms at indices 7 and 0, and the inserted atom must be 0.43 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14SnW
_chemical_formula_sum "Ba1 Mg14 Sn1 W1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-... |
InsertBetweenAtomsAction | d00062b8-26de-417f-93c4-44608c3fcb7a | mp-762529 | Insert a Ta atom in the line between atoms at indices 12 and 9, and the inserted atom must be 4.51 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li2Fe5O10
_chemical_formula_sum "Li2 Fe5 O10"
_cell_length_a 5.15872651
_cell_length_b 5.141084059999999
_cell_length_c 7.86355912
_cell_angle_alpha 109.15005001
_cell_angle_beta 100.73781788
_cell_angle_gamma 101.34705274
_space_g... | data_image0
_chemical_formula_structural Li2Fe5O10Ta
_chemical_formula_sum "Li2 Fe5 O10 Ta1"
_cell_length_a 5.15872651
_cell_length_b 5.141084059999999
_cell_length_c 7.86355912
_cell_angle_alpha 109.15005001
_cell_angle_beta 100.73781788
_cell_angle_gamma 101.34705274
_s... |
InsertBetweenAtomsAction | bc43c51d-8d09-44d7-9467-4eb169785fb8 | mp-1042942 | Insert a Si atom in the line between atoms at indices 10 and 13, and the inserted atom must be 0.43 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ti2Zn2Ge4O12
_chemical_formula_sum "Ti2 Zn2 Ge4 O12"
_cell_length_a 6.94537194
_cell_length_b 6.94537194
_cell_length_c 5.055276
_cell_angle_alpha 79.96098557
_cell_angle_beta 79.96098557
_cell_angle_gamma 79.32597214
_space_group_... | data_image0
_chemical_formula_structural Ti2Zn2Ge4O12Si
_chemical_formula_sum "Ti2 Zn2 Ge4 O12 Si1"
_cell_length_a 6.94537194
_cell_length_b 6.94537194
_cell_length_c 5.055276
_cell_angle_alpha 79.96098557
_cell_angle_beta 79.96098557
_cell_angle_gamma 79.32597214
_space_... |
InsertBetweenAtomsAction | be224087-6ecc-4537-9d54-2c2061f59b43 | mp-2228739 | Insert a Tm atom in the line between atoms at indices 10 and 11, and the inserted atom must be 1.84 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ba2YMgCo3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Co3 O8"
_cell_length_a 3.82677614
_cell_length_b 3.99076499
_cell_length_c 14.982411789999999
_cell_angle_alpha 90.00004725000001
_cell_angle_beta 89.99997689
_cell_angle_gamma 90.000028... | data_image0
_chemical_formula_structural Ba2YMgCo3O8Tm
_chemical_formula_sum "Ba2 Y1 Mg1 Co3 O8 Tm1"
_cell_length_a 3.82677614
_cell_length_b 3.99076499
_cell_length_c 14.982411789999999
_cell_angle_alpha 90.00004725000001
_cell_angle_beta 89.99997689
_cell_angle_gamma 90.... |
InsertBetweenAtomsAction | 83564a29-3ba9-48f3-8b2f-88eb495d82e4 | mp-1235631 | Insert a Th atom in the line between atoms at indices 10 and 3, and the inserted atom must be 1.70 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural BaSrLiNdTlCu2O7
_chemical_formula_sum "Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.894985
_cell_length_b 4.02463695
_cell_length_c 13.05510099
_cell_angle_alpha 86.16013427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... | data_image0
_chemical_formula_structural BaSrLiNdTlCu2O7Th
_chemical_formula_sum "Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7 Th1"
_cell_length_a 3.894985
_cell_length_b 4.02463695
_cell_length_c 13.05510099
_cell_angle_alpha 86.16013427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
InsertBetweenAtomsAction | 25ad7dc5-c8a4-473b-9fc6-313452b2da35 | mp-778500 | Insert a S atom in the line between atoms at indices 44 and 4, and the inserted atom must be 3.03 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Li10Ti2Mn18O40
_chemical_formula_sum "Li10 Ti2 Mn18 O40"
_cell_length_a 5.87694826
_cell_length_b 6.05119558
_cell_length_c 24.44071306
_cell_angle_alpha 89.18143844
_cell_angle_beta 95.5440936
_cell_angle_gamma 120.15124847000001
... | data_image0
_chemical_formula_structural Li10Ti2Mn18O40S
_chemical_formula_sum "Li10 Ti2 Mn18 O40 S1"
_cell_length_a 5.87694826
_cell_length_b 6.05119558
_cell_length_c 24.44071306
_cell_angle_alpha 89.18143844
_cell_angle_beta 95.5440936
_cell_angle_gamma 120.151248470000... |
InsertBetweenAtomsAction | 1169d3f8-428e-4029-b75d-5ea665c7a6d9 | mp-1246200 | Insert a Hs atom in the line between atoms at indices 3 and 2, and the inserted atom must be 1.74 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Os8Pb12N16
_chemical_formula_sum "Os8 Pb12 N16"
_cell_length_a 6.51957304
_cell_length_b 10.46974712
_cell_length_c 10.31904487
_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 Os8Pb12N16Hs
_chemical_formula_sum "Os8 Pb12 N16 Hs1"
_cell_length_a 6.51957304
_cell_length_b 10.46974712
_cell_length_c 10.31904487
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2490e4fa-ea78-484d-b00c-9b612c038d0c | mp-1216954 | Insert a Ac atom in the line between atoms at indices 6 and 14, and the inserted atom must be 1.95 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6Ac
_chemical_formula_sum "Tm6 Sc6 Ge6 Ac1"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_spac... |
InsertBetweenAtomsAction | 6ace6b8a-9513-47ef-99a6-e5f49c11fbd6 | mp-1214127 | Insert a Mg atom in the line between atoms at indices 63 and 69, and the inserted atom must be 5.95 angstrom from atom at 63 in the cif file. | data_image0
_chemical_formula_structural Ca2Al4Si12H20O42
_chemical_formula_sum "Ca2 Al4 Si12 H20 O42"
_cell_length_a 17.578746
_cell_length_b 7.363444
_cell_length_c 7.521039390000001
_cell_angle_alpha 74.61427817
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... | data_image0
_chemical_formula_structural Ca2Al4Si12H20O42Mg
_chemical_formula_sum "Ca2 Al4 Si12 H20 O42 Mg1"
_cell_length_a 17.578746
_cell_length_b 7.363444
_cell_length_c 7.521039390000001
_cell_angle_alpha 74.61427817
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
InsertBetweenAtomsAction | bc6cfe5f-9d2b-4c1b-8841-166024733e91 | mp-770718 | Insert a Sc atom in the line between atoms at indices 2 and 22, and the inserted atom must be 4.87 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_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 Mg4I8O24Sc
_chemical_formula_sum "Mg4 I8 O24 Sc1"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_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 | 7f44e920-f738-46f1-8caa-214ef97d22aa | mp-3824 | Insert a Er atom in the line between atoms at indices 12 and 9, and the inserted atom must be 2.13 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta9Ni2S6Er
_chemical_formula_sum "Ta9 Ni2 S6 Er1"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | cdc9ae15-aa87-4f71-b811-5219c3ce18aa | mp-9511 | Insert a Lu atom in the line between atoms at indices 15 and 9, and the inserted atom must be 4.87 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural K4As2Au2S8
_chemical_formula_sum "K4 As2 Au2 S8"
_cell_length_a 6.93280871
_cell_length_b 6.61767417
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4As2Au2S8Lu
_chemical_formula_sum "K4 As2 Au2 S8 Lu1"
_cell_length_a 6.93280871
_cell_length_b 6.61767417
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 6264c5fd-34c1-455d-8daf-3be0b020746b | mp-555792 | Insert a Ge atom in the line between atoms at indices 14 and 11, and the inserted atom must be 2.05 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O12Ge
_chemical_formula_sum "Na2 Os4 O12 Ge1"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | d0ef28af-877d-4ff0-add9-96abbd64057e | mp-767746 | Insert a Mn atom in the line between atoms at indices 27 and 6, and the inserted atom must be 1.59 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... | data_image0
_chemical_formula_structural Li12Mn2Fe3O16Mn
_chemical_formula_sum "Li12 Mn3 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.89135814000... |
InsertBetweenAtomsAction | 73f36c02-a6cc-4fe8-9695-dd44caf75c99 | mp-2230290 | Insert a Nd atom in the line between atoms at indices 13 and 3, and the inserted atom must be 0.60 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural MgMn6O6F6
_chemical_formula_sum "Mg1 Mn6 O6 F6"
_cell_length_a 5.08737613
_cell_length_b 7.79122316
_cell_length_c 5.93357442
_cell_angle_alpha 95.73871861
_cell_angle_beta 98.28131012
_cell_angle_gamma 89.99867143000002
_space_gro... | data_image0
_chemical_formula_structural MgMn6O6F6Nd
_chemical_formula_sum "Mg1 Mn6 O6 F6 Nd1"
_cell_length_a 5.08737613
_cell_length_b 7.79122316
_cell_length_c 5.93357442
_cell_angle_alpha 95.73871861
_cell_angle_beta 98.28131012
_cell_angle_gamma 89.99867143000002
_spa... |
InsertBetweenAtomsAction | 03a0af61-e5e0-4f45-8faf-7ff75f11ed00 | mp-1223717 | Insert a Md atom in the line between atoms at indices 22 and 35, and the inserted atom must be 4.49 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural K2Al6Si6H4O24Md
_chemical_formula_sum "K2 Al6 Si6 H4 O24 Md1"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 11... |
InsertBetweenAtomsAction | 5aa2df45-900f-4921-bb32-5bb642918488 | mp-31908 | Insert a Bk atom in the line between atoms at indices 24 and 26, and the inserted atom must be 1.54 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Mn6Nb12O22
_chemical_formula_sum "Mn6 Nb12 O22"
_cell_length_a 6.12120682
_cell_length_b 15.31649322
_cell_length_c 6.121207320000001
_cell_angle_alpha 90.0000366
_cell_angle_beta 120.00004614999999
_cell_angle_gamma 89.999912449999... | data_image0
_chemical_formula_structural Mn6Nb12O22Bk
_chemical_formula_sum "Mn6 Nb12 O22 Bk1"
_cell_length_a 6.12120682
_cell_length_b 15.31649322
_cell_length_c 6.121207320000001
_cell_angle_alpha 90.0000366
_cell_angle_beta 120.00004614999999
_cell_angle_gamma 89.999912... |
InsertBetweenAtomsAction | 5d56b9e4-19fd-4113-9d25-83ed88f28176 | mp-1177762 | Insert a W atom in the line between atoms at indices 21 and 19, and the inserted atom must be 1.68 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Li4V2Fe2P4O16F4
_chemical_formula_sum "Li4 V2 Fe2 P4 O16 F4"
_cell_length_a 6.976435
_cell_length_b 7.4203115099999994
_cell_length_c 7.9871230099999995
_cell_angle_alpha 90.85495306000001
_cell_angle_beta 91.61388218
_cell_angle_gamma... | data_image0
_chemical_formula_structural Li4V2Fe2P4O16F4W
_chemical_formula_sum "Li4 V2 Fe2 P4 O16 F4 W1"
_cell_length_a 6.976435
_cell_length_b 7.4203115099999994
_cell_length_c 7.9871230099999995
_cell_angle_alpha 90.85495306000001
_cell_angle_beta 91.61388218
_cell_angle_g... |
InsertBetweenAtomsAction | a951f484-3513-4a63-8f36-837d0d745cdd | mp-618177 | Insert a H atom in the line between atoms at indices 26 and 22, and the inserted atom must be 3.02 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural K8Zn4Cl16
_chemical_formula_sum "K8 Zn4 Cl16"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_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 K8Zn4Cl16H
_chemical_formula_sum "K8 Zn4 Cl16 H1"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | ca31b7e8-7660-4e78-a8c1-1299e72a18db | mp-1214678 | Insert a Cr atom in the line between atoms at indices 2 and 15, and the inserted atom must be 0.72 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ca2H12C12Br4O16
_chemical_formula_sum "Ca2 H12 C12 Br4 O16"
_cell_length_a 10.19776015
_cell_length_b 10.197760150000002
_cell_length_c 6.68699536
_cell_angle_alpha 81.39273033
_cell_angle_beta 81.39273033
_cell_angle_gamma 113.7215... | data_image0
_chemical_formula_structural Ca2H12C12Br4O16Cr
_chemical_formula_sum "Ca2 H12 C12 Br4 O16 Cr1"
_cell_length_a 10.19776015
_cell_length_b 10.197760150000002
_cell_length_c 6.68699536
_cell_angle_alpha 81.39273033
_cell_angle_beta 81.39273033
_cell_angle_gamma 11... |
InsertBetweenAtomsAction | fa59cf73-9b56-40c2-8ff6-8521ff0328be | mp-2232781 | Insert a K atom in the line between atoms at indices 11 and 3, and the inserted atom must be 1.20 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi4Pb2O9F2K
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2 K1"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.39... |
InsertBetweenAtomsAction | 309d4a37-e7da-4a12-bcd6-dd1f1611cb79 | mp-754324 | Insert a Se atom in the line between atoms at indices 12 and 2, and the inserted atom must be 1.75 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li4V3CrO8
_chemical_formula_sum "Li4 V3 Cr1 O8"
_cell_length_a 5.1846374
_cell_length_b 5.94699905
_cell_length_c 5.94836902
_cell_angle_alpha 119.98527032
_cell_angle_beta 90.01292192
_cell_angle_gamma 73.34443582
_space_group_nam... | data_image0
_chemical_formula_structural Li4V3CrO8Se
_chemical_formula_sum "Li4 V3 Cr1 O8 Se1"
_cell_length_a 5.1846374
_cell_length_b 5.94699905
_cell_length_c 5.94836902
_cell_angle_alpha 119.98527032
_cell_angle_beta 90.01292192
_cell_angle_gamma 73.34443582
_space_gro... |
InsertBetweenAtomsAction | 3d28ddf3-01a1-4760-9193-bc572090f11c | mp-557634 | Insert a Sm atom in the line between atoms at indices 18 and 10, and the inserted atom must be 8.45 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O24Sm
_chemical_formula_sum "Na2 V6 P6 O24 Sm1"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_... |
InsertBetweenAtomsAction | f601086a-131d-4a5f-bc02-3f583faa39a2 | mp-768442 | Insert a Pu atom in the line between atoms at indices 16 and 10, and the inserted atom must be 2.82 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Mn4B8O20Pu
_chemical_formula_sum "Li4 Mn4 B8 O20 Pu1"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 1ecb9292-8f00-45dd-a6c8-16e6d11c0e93 | mp-1245478 | Insert a Nd atom in the line between atoms at indices 2 and 14, and the inserted atom must be 1.00 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... | data_image0
_chemical_formula_structural Cr4Fe8N12Nd
_chemical_formula_sum "Cr4 Fe8 N12 Nd1"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group... |
InsertBetweenAtomsAction | 0aee582c-3067-4d12-b993-ddb87faa8d5e | mp-1223259 | Insert a Ge atom in the line between atoms at indices 0 and 4, and the inserted atom must be 1.50 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural La2CoNiO6
_chemical_formula_sum "La2 Co1 Ni1 O6"
_cell_length_a 5.4274163
_cell_length_b 5.4274163
_cell_length_c 5.42741624
_cell_angle_alpha 61.602393410000005
_cell_angle_beta 61.60239340999999
_cell_angle_gamma 61.60238939
_spa... | data_image0
_chemical_formula_structural La2CoNiO6Ge
_chemical_formula_sum "La2 Co1 Ni1 O6 Ge1"
_cell_length_a 5.4274163
_cell_length_b 5.4274163
_cell_length_c 5.42741624
_cell_angle_alpha 61.602393410000005
_cell_angle_beta 61.60239340999999
_cell_angle_gamma 61.60238939... |
InsertBetweenAtomsAction | 3ca1393d-ae79-4e6f-b7d9-d4e620ab9b14 | mp-29853 | Insert a Sg atom in the line between atoms at indices 14 and 24, and the inserted atom must be 1.57 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Hg8C8N16
_chemical_formula_sum "Hg8 C8 N16"
_cell_length_a 6.922238
_cell_length_b 7.269546
_cell_length_c 10.654594
_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 Hg8C8N16Sg
_chemical_formula_sum "Hg8 C8 N16 Sg1"
_cell_length_a 6.922238
_cell_length_b 7.269546
_cell_length_c 10.654594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | 6f8cdd6c-cd5e-42a0-acb1-569f56bed06c | mp-1188256 | Insert a Ce atom in the line between atoms at indices 10 and 4, and the inserted atom must be 2.95 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_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 U4Ni4Se12Ce
_chemical_formula_sum "U4 Ni4 Se12 Ce1"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_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 | 20e94253-7b8d-486e-83fa-1480ce7f02a7 | mp-1209004 | Insert a Fm atom in the line between atoms at indices 9 and 14, and the inserted atom must be 6.23 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10Fm
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10 Fm1"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_spa... |
InsertBetweenAtomsAction | 39e4320e-0e0e-44d7-a55a-d28b79adef5c | mp-569221 | Insert a Md atom in the line between atoms at indices 3 and 29, and the inserted atom must be 0.78 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sm2C12N18
_chemical_formula_sum "Sm2 C12 N18"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sm2C12N18Md
_chemical_formula_sum "Sm2 C12 N18 Md1"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 06bc7146-98ec-4bad-8b62-6b1d5f0acecc | mp-1193989 | Insert a K atom in the line between atoms at indices 24 and 2, and the inserted atom must be 0.53 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Sr4Tb8S16
_chemical_formula_sum "Sr4 Tb8 S16"
_cell_length_a 4.00512644
_cell_length_b 12.04160878
_cell_length_c 14.38451258
_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 Sr4Tb8S16K
_chemical_formula_sum "Sr4 Tb8 S16 K1"
_cell_length_a 4.00512644
_cell_length_b 12.04160878
_cell_length_c 14.38451258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | bdbc5a92-0f06-41bd-aad7-97a34010c8fa | mp-1191504 | Insert a Rb atom in the line between atoms at indices 14 and 20, and the inserted atom must be 1.87 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Fe2S4N2O16Rb
_chemical_formula_sum "Fe2 S4 N2 O16 Rb1"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | a4349d9e-181e-442c-85f4-7fbe106921c4 | mp-2647063 | Insert a Cr atom in the line between atoms at indices 1 and 11, and the inserted atom must be 4.07 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ru4Cl12Cr
_chemical_formula_sum "Ru4 Cl12 Cr1"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 84093e4c-4fa7-4c7c-bca7-6347be5ce40d | mp-697575 | Insert a Db atom in the line between atoms at indices 22 and 26, and the inserted atom must be 0.99 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 Rb8Zn4H16Db
_chemical_formula_sum "Rb8 Zn4 H16 Db1"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 786722b1-6b53-4663-9ff5-51ef98a37445 | mp-1221254 | Insert a Sc atom in the line between atoms at indices 19 and 20, and the inserted atom must be 1.34 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Na3LiFe4Si8O24
_chemical_formula_sum "Na3 Li1 Fe4 Si8 O24"
_cell_length_a 8.865361
_cell_length_b 5.363603
_cell_length_c 9.595583719999999
_cell_angle_alpha 76.10847183
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Na3LiFe4Si8O24Sc
_chemical_formula_sum "Na3 Li1 Fe4 Si8 O24 Sc1"
_cell_length_a 8.865361
_cell_length_b 5.363603
_cell_length_c 9.595583719999999
_cell_angle_alpha 76.10847183
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
InsertBetweenAtomsAction | a5d29aaf-f620-453e-936b-05b1e79e6b43 | mp-1518063 | Insert a Tl atom in the line between atoms at indices 6 and 1, and the inserted atom must be 6.45 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural SrCeEuNiO6
_chemical_formula_sum "Sr1 Ce1 Eu1 Ni1 O6"
_cell_length_a 5.75872947
_cell_length_b 5.75872947
_cell_length_c 5.75872947
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural SrCeEuNiO6Tl
_chemical_formula_sum "Sr1 Ce1 Eu1 Ni1 O6 Tl1"
_cell_length_a 5.75872947
_cell_length_b 5.75872947
_cell_length_c 5.75872947
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... |
InsertBetweenAtomsAction | a4b6508a-4ba6-4136-a36b-c0209ea6c76b | mp-18672 | Insert a Zr atom in the line between atoms at indices 9 and 7, and the inserted atom must be 2.19 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10Zr
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10 Zr1"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_grou... |
InsertBetweenAtomsAction | 36e17b0a-f341-4f50-83d1-2bfbb6300a2e | mp-1099676 | Insert a Xe atom in the line between atoms at indices 10 and 28, and the inserted atom must be 0.86 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24Xe
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24 Xe1"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
... |
InsertBetweenAtomsAction | 05730378-0453-48e9-9f63-6c57ab88f060 | mp-674849 | Insert a Al atom in the line between atoms at indices 4 and 3, and the inserted atom must be 2.09 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Tl2Bi2F8
_chemical_formula_sum "Tl2 Bi2 F8"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Tl2Bi2F8Al
_chemical_formula_sum "Tl2 Bi2 F8 Al1"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7d813fd2-d9e6-457c-abcd-72fecaf8532c | mp-2231186 | Insert a Sr atom in the line between atoms at indices 15 and 18, and the inserted atom must be 1.09 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma 87.974... | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10Sr
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10 Sr1"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 78e09fc2-ef4f-48e7-8449-ec863dc809bf | mp-1188654 | Insert a Kr atom in the line between atoms at indices 9 and 0, and the inserted atom must be 5.09 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... | data_image0
_chemical_formula_structural W4N4Cl12Kr
_chemical_formula_sum "W4 N4 Cl12 Kr1"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
... |
InsertBetweenAtomsAction | ac97aa1a-ea86-4c2f-82e6-5a689320a4cd | mp-1220278 | Insert a Sc atom in the line between atoms at indices 21 and 18, and the inserted atom must be 3.29 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Nd4Fe4Co12B3C
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_na... | data_image0
_chemical_formula_structural Nd4Fe4Co12B3CSc
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1 Sc1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_gr... |
InsertBetweenAtomsAction | b93682b8-13c3-4ea2-817b-c4f3ca0eb4c8 | mp-1196561 | Insert a Os atom in the line between atoms at indices 52 and 4, and the inserted atom must be 4.84 angstrom from atom at 52 in the cif file. | data_image0
_chemical_formula_structural Ti42Re50
_chemical_formula_sum "Ti42 Re50"
_cell_length_a 8.453088
_cell_length_b 14.76805591
_cell_length_c 14.76805543
_cell_angle_alpha 116.44860863999999
_cell_angle_beta 100.99928139
_cell_angle_gamma 100.99928102
_space_group... | data_image0
_chemical_formula_structural Ti42Re50Os
_chemical_formula_sum "Ti42 Re50 Os1"
_cell_length_a 8.453088
_cell_length_b 14.76805591
_cell_length_c 14.76805543
_cell_angle_alpha 116.44860863999999
_cell_angle_beta 100.99928139
_cell_angle_gamma 100.99928102
_space... |
InsertBetweenAtomsAction | 0a7ab275-534c-4357-8114-6038aec8c4e9 | mp-1190979 | Insert a Se atom in the line between atoms at indices 12 and 22, and the inserted atom must be 7.11 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Sc16Ir8Se
_chemical_formula_sum "Sc16 Ir8 Se1"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
... |
InsertBetweenAtomsAction | 1190409c-3ecd-4f0f-a03d-1e1a00985f95 | mp-2231797 | Insert a Eu atom in the line between atoms at indices 18 and 13, and the inserted atom must be 2.23 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural MgFe2Co4O12
_chemical_formula_sum "Mg1 Fe2 Co4 O12"
_cell_length_a 5.00219592
_cell_length_b 5.006155779999999
_cell_length_c 9.93334793
_cell_angle_alpha 82.67082552
_cell_angle_beta 86.75204574000001
_cell_angle_gamma 60.085190819... | data_image0
_chemical_formula_structural MgFe2Co4O12Eu
_chemical_formula_sum "Mg1 Fe2 Co4 O12 Eu1"
_cell_length_a 5.00219592
_cell_length_b 5.006155779999999
_cell_length_c 9.93334793
_cell_angle_alpha 82.67082552
_cell_angle_beta 86.75204574000001
_cell_angle_gamma 60.085... |
InsertBetweenAtomsAction | 884f61a7-9060-4341-a7d4-c821014abb8a | mp-780492 | Insert a Og atom in the line between atoms at indices 29 and 9, and the inserted atom must be 3.50 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... | data_image0
_chemical_formula_structural Li4VP6H8O22Og
_chemical_formula_sum "Li4 V1 P6 H8 O22 Og1"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000... |
InsertBetweenAtomsAction | a7da3075-1cfe-4fc0-ab5f-6d1db198eefe | mp-1217308 | Insert a Co atom in the line between atoms at indices 12 and 33, and the inserted atom must be 9.96 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Tl2P6N4O24
_chemical_formula_sum "Tl2 P6 N4 O24"
_cell_length_a 11.73209994
_cell_length_b 11.73209994
_cell_length_c 11.732099939999998
_cell_angle_alpha 140.19938611
_cell_angle_beta 140.19938610999998
_cell_angle_gamma 57.5506841... | data_image0
_chemical_formula_structural Tl2P6N4O24Co
_chemical_formula_sum "Tl2 P6 N4 O24 Co1"
_cell_length_a 11.73209994
_cell_length_b 11.73209994
_cell_length_c 11.732099939999998
_cell_angle_alpha 140.19938611
_cell_angle_beta 140.19938610999998
_cell_angle_gamma 57.5... |
InsertBetweenAtomsAction | d7109799-4aae-4b3d-a57d-f9fe68b20ffc | mp-690554 | Insert a Fl atom in the line between atoms at indices 26 and 12, and the inserted atom must be 3.42 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Sr5La5CuNi4O20
_chemical_formula_sum "Sr5 La5 Cu1 Ni4 O20"
_cell_length_a 19.32603118
_cell_length_b 8.65338858
_cell_length_c 6.85316372
_cell_angle_alpha 112.30009056
_cell_angle_beta 106.43825166999999
_cell_angle_gamma 26.524981... | data_image0
_chemical_formula_structural Sr5La5CuNi4O20Fl
_chemical_formula_sum "Sr5 La5 Cu1 Ni4 O20 Fl1"
_cell_length_a 19.32603118
_cell_length_b 8.65338858
_cell_length_c 6.85316372
_cell_angle_alpha 112.30009056
_cell_angle_beta 106.43825166999999
_cell_angle_gamma 26.... |
InsertBetweenAtomsAction | c2b26fac-52e0-4f3b-bbc0-40adc6826bf1 | mp-753310 | Insert a Sc atom in the line between atoms at indices 4 and 1, and the inserted atom must be 0.83 angstrom from atom at 4 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 Li2Cr3CuO8Sc
_chemical_formula_sum "Li2 Cr3 Cu1 O8 Sc1"
_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 | 498a5f3a-7544-4744-8ff5-501bf69dfeac | mp-777904 | Insert a Mt atom in the line between atoms at indices 13 and 24, and the inserted atom must be 2.48 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... | data_image0
_chemical_formula_structural Li4Ti6Cr2O16Mt
_chemical_formula_sum "Li4 Ti6 Cr2 O16 Mt1"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group... |
InsertBetweenAtomsAction | 1224dae9-5be5-4791-8ac9-4cfaee6d6448 | mp-1196758 | Insert a Cl atom in the line between atoms at indices 20 and 39, and the inserted atom must be 4.07 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural K4Cd4B12O24
_chemical_formula_sum "K4 Cd4 B12 O24"
_cell_length_a 7.56052219
_cell_length_b 7.560522190000001
_cell_length_c 12.41404401
_cell_angle_alpha 82.29743995999999
_cell_angle_beta 82.29743995999999
_cell_angle_gamma 123.18... | data_image0
_chemical_formula_structural K4Cd4B12O24Cl
_chemical_formula_sum "K4 Cd4 B12 O24 Cl1"
_cell_length_a 7.56052219
_cell_length_b 7.560522190000001
_cell_length_c 12.41404401
_cell_angle_alpha 82.29743995999999
_cell_angle_beta 82.29743995999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 2ae8b363-ec4b-4a7e-a3d2-cd3cd3fb2487 | mp-1045681 | Insert a Xe atom in the line between atoms at indices 70 and 83, and the inserted atom must be 5.37 angstrom from atom at 70 in the cif file. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56Xe
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56 Xe1"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830... |
InsertBetweenAtomsAction | 1dcbd128-d17d-4e4d-b5da-707173a4ff52 | mp-1176929 | Insert a Mt atom in the line between atoms at indices 31 and 27, and the inserted atom must be 0.94 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6P16O58Mt
_chemical_formula_sum "Li12 V6 P16 O58 Mt1"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227... |
InsertBetweenAtomsAction | 44536add-685e-468e-b6ce-ca87821d459f | mp-31180 | Insert a Li atom in the line between atoms at indices 2 and 8, and the inserted atom must be 3.54 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Dy2Al8Ni2
_chemical_formula_sum "Dy2 Al8 Ni2"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Dy2Al8Ni2Li
_chemical_formula_sum "Dy2 Al8 Ni2 Li1"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 86bf7376-3a6f-47d3-b540-b6144459493c | mp-510056 | Insert a Ce atom in the line between atoms at indices 11 and 8, and the inserted atom must be 4.01 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural CaV4Cu3O12
_chemical_formula_sum "Ca1 V4 Cu3 O12"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural CaV4Cu3O12Ce
_chemical_formula_sum "Ca1 V4 Cu3 O12 Ce1"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
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