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 | 96e0ee43-ab3c-4986-8dfc-f6459dd9bcc1 | mp-1197808 | Insert a Am atom in the line between atoms at indices 14 and 0, and the inserted atom must be 0.92 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ca4Sn4O24
_chemical_formula_sum "Ca4 Sn4 O24"
_cell_length_a 8.792803
_cell_length_b 8.792803
_cell_length_c 8.792803
_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 Ca4Sn4O24Am
_chemical_formula_sum "Ca4 Sn4 O24 Am1"
_cell_length_a 8.792803
_cell_length_b 8.792803
_cell_length_c 8.792803
_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 | 69f1d6e5-7fb0-4036-b7cd-b7bff5dfaa7f | mp-1041051 | Insert a Se atom in the line between atoms at indices 37 and 10, and the inserted atom must be 6.44 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Ca6V12O24
_chemical_formula_sum "Ca6 V12 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... | data_image0
_chemical_formula_structural Ca6V12O24Se
_chemical_formula_sum "Ca6 V12 O24 Se1"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
... |
InsertBetweenAtomsAction | 25dff536-f23b-4d66-b50f-0bef64a41a5f | mp-1204185 | Insert a Dy atom in the line between atoms at indices 32 and 9, and the inserted atom must be 4.96 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural Ag12Te8W6O40Dy
_chemical_formula_sum "Ag12 Te8 W6 O40 Dy1"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.3865842799999... |
InsertBetweenAtomsAction | a71d684a-3b75-4f37-9d62-6a9c8e153cb5 | mp-560603 | Insert a Se atom in the line between atoms at indices 11 and 21, and the inserted atom must be 3.53 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Mg2Si10O24Se
_chemical_formula_sum "Na4 Mg2 Si10 O24 Se1"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 0e519a58-50e2-40e7-a310-064f2a3428c5 | mp-703305 | Insert a Rg atom in the line between atoms at indices 25 and 26, and the inserted atom must be 2.90 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Na8P4H4O16
_chemical_formula_sum "Na8 P4 H4 O16"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Na8P4H4O16Rg
_chemical_formula_sum "Na8 P4 H4 O16 Rg1"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
InsertBetweenAtomsAction | 8294ee96-7720-41a1-b201-03913091e78b | mp-1220650 | Insert a Kr atom in the line between atoms at indices 4 and 32, and the inserted atom must be 5.12 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Nb4B20Mo11
_chemical_formula_sum "Nb4 B20 Mo11"
_cell_length_a 3.10222374
_cell_length_b 3.20556237
_cell_length_c 35.07391058
_cell_angle_alpha 92.61917236
_cell_angle_beta 92.53468053
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nb4B20Mo11Kr
_chemical_formula_sum "Nb4 B20 Mo11 Kr1"
_cell_length_a 3.10222374
_cell_length_b 3.20556237
_cell_length_c 35.07391058
_cell_angle_alpha 92.61917236
_cell_angle_beta 92.53468053
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 0d3b0ad8-53bc-43af-945c-9296770238f5 | mp-1028096 | Insert a Cr atom in the line between atoms at indices 4 and 3, and the inserted atom must be 0.97 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mg14MnSi
_chemical_formula_sum "Mg14 Mn1 Si1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14MnSiCr
_chemical_formula_sum "Mg14 Mn1 Si1 Cr1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 360cd391-1832-4253-b2ad-450878388cea | mp-27041 | Insert a Eu atom in the line between atoms at indices 7 and 4, and the inserted atom must be 0.75 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li2Cr2P2O8
_chemical_formula_sum "Li2 Cr2 P2 O8"
_cell_length_a 7.39277275
_cell_length_b 6.28365082
_cell_length_c 5.58373517
_cell_angle_alpha 76.81230335
_cell_angle_beta 55.84855332
_cell_angle_gamma 47.33914332999999
_space_gr... | data_image0
_chemical_formula_structural Li2Cr2P2O8Eu
_chemical_formula_sum "Li2 Cr2 P2 O8 Eu1"
_cell_length_a 7.39277275
_cell_length_b 6.28365082
_cell_length_c 5.58373517
_cell_angle_alpha 76.81230335
_cell_angle_beta 55.84855332
_cell_angle_gamma 47.33914332999999
_sp... |
InsertBetweenAtomsAction | f4733947-77df-447c-8afa-f842d317a7b3 | mp-753731 | Insert a Ba atom in the line between atoms at indices 3 and 12, and the inserted atom must be 3.97 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba4Ca2I12
_chemical_formula_sum "Ba4 Ca2 I12"
_cell_length_a 7.898283
_cell_length_b 7.898283
_cell_length_c 15.327723
_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 Ba4Ca2I12Ba
_chemical_formula_sum "Ba5 Ca2 I12"
_cell_length_a 7.898283
_cell_length_b 7.898283
_cell_length_c 15.327723
_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 | 9727d1d6-8841-4bb9-8cd5-a7e7b846dd3b | mp-17728 | Insert a Fe atom in the line between atoms at indices 7 and 15, and the inserted atom must be 0.74 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... | data_image0
_chemical_formula_structural Ta12Ge4Fe
_chemical_formula_sum "Ta12 Ge4 Fe1"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group... |
InsertBetweenAtomsAction | 935c2041-ea53-4bb1-a050-c23b25285ffa | mp-753829 | Insert a Zr atom in the line between atoms at indices 2 and 4, and the inserted atom must be 0.40 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Cr4O6
_chemical_formula_sum "Cr4 O6"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space... | data_image0
_chemical_formula_structural Cr4O6Zr
_chemical_formula_sum "Cr4 O6 Zr1"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
... |
InsertBetweenAtomsAction | f4e5fe3a-17b7-4ad1-aa90-84341a3a4dea | mp-615141 | Insert a Ce atom in the line between atoms at indices 13 and 11, and the inserted atom must be 1.10 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pb2Cl4O8Ce
_chemical_formula_sum "Pb2 Cl4 O8 Ce1"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M... |
InsertBetweenAtomsAction | fc3527fc-05dd-48ff-a391-8769d52ddffd | mp-559248 | Insert a Ho atom in the line between atoms at indices 64 and 56, and the inserted atom must be 2.36 angstrom from atom at 64 in the cif file. | data_image0
_chemical_formula_structural V4H40N8O8F16
_chemical_formula_sum "V4 H40 N8 O8 F16"
_cell_length_a 9.807839
_cell_length_b 7.079551
_cell_length_c 10.31354053
_cell_angle_alpha 78.36193377
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V4H40N8O8F16Ho
_chemical_formula_sum "V4 H40 N8 O8 F16 Ho1"
_cell_length_a 9.807839
_cell_length_b 7.079551
_cell_length_c 10.31354053
_cell_angle_alpha 78.36193377
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 34c5ef64-806f-418a-bd30-213dda468973 | mp-1221196 | Insert a Pr atom in the line between atoms at indices 9 and 1, and the inserted atom must be 0.78 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Na4EuSi2Te6
_chemical_formula_sum "Na4 Eu1 Si2 Te6"
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 8.51669282
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angle_gamma 119.89827411
_space_grou... | data_image0
_chemical_formula_structural Na4EuSi2Te6Pr
_chemical_formula_sum "Na4 Eu1 Si2 Te6 Pr1"
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 8.51669282
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angle_gamma 119.89827411
_spac... |
InsertBetweenAtomsAction | d1cc4791-5e08-480b-ba2d-646d2f4a1ec0 | mp-1032871 | Insert a Xe atom in the line between atoms at indices 15 and 4, and the inserted atom must be 1.84 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_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 HfMg6AlO8Xe
_chemical_formula_sum "Hf1 Mg6 Al1 O8 Xe1"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 6ef70b1c-761a-4fa7-a0a3-e8a8b88fae66 | mp-1225071 | Insert a K atom in the line between atoms at indices 9 and 5, and the inserted atom must be 1.99 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural ErAl6Cu6
_chemical_formula_sum "Er1 Al6 Cu6"
_cell_length_a 4.97331248
_cell_length_b 6.563630650000001
_cell_length_c 6.5636306499999995
_cell_angle_alpha 99.08310517
_cell_angle_beta 112.26270552
_cell_angle_gamma 67.73729448
_sp... | data_image0
_chemical_formula_structural ErAl6Cu6K
_chemical_formula_sum "Er1 Al6 Cu6 K1"
_cell_length_a 4.97331248
_cell_length_b 6.563630650000001
_cell_length_c 6.5636306499999995
_cell_angle_alpha 99.08310517
_cell_angle_beta 112.26270552
_cell_angle_gamma 67.73729448
... |
InsertBetweenAtomsAction | 31ebd1e0-215c-430e-b19e-d7aa74a14fdc | mp-1644899 | Insert a At atom in the line between atoms at indices 0 and 9, and the inserted atom must be 2.56 angstrom from atom at 0 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 Li6V4C8O24At
_chemical_formula_sum "Li6 V4 C8 O24 At1"
_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 | 6a92523e-6d73-4f8f-98f6-e19ef12542d4 | mp-1023480 | Insert a Nb atom in the line between atoms at indices 5 and 11, and the inserted atom must be 1.63 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_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 Mg12Al2Ni2Nb
_chemical_formula_sum "Mg12 Al2 Ni2 Nb1"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_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 | 12655888-0320-437a-a0e8-d93bb9078698 | mp-778508 | Insert a Mn atom in the line between atoms at indices 58 and 76, and the inserted atom must be 1.10 angstrom from atom at 58 in the cif file. | data_image0
_chemical_formula_structural Li12Mn4V4P12O48
_chemical_formula_sum "Li12 Mn4 V4 P12 O48"
_cell_length_a 9.831781
_cell_length_b 9.87281945
_cell_length_c 9.92081065
_cell_angle_alpha 85.77918818999999
_cell_angle_beta 87.70494136999999
_cell_angle_gamma 87.5770... | data_image0
_chemical_formula_structural Li12Mn4V4P12O48Mn
_chemical_formula_sum "Li12 Mn5 V4 P12 O48"
_cell_length_a 9.831781
_cell_length_b 9.87281945
_cell_length_c 9.92081065
_cell_angle_alpha 85.77918818999999
_cell_angle_beta 87.70494136999999
_cell_angle_gamma 87.57... |
InsertBetweenAtomsAction | e0e33227-dc41-4919-8efd-c70b4a95f3f2 | mp-779444 | Insert a B atom in the line between atoms at indices 14 and 2, and the inserted atom must be 1.68 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Fe2B4O12
_chemical_formula_sum "Li4 Mn2 Fe2 B4 O12"
_cell_length_a 5.23969178
_cell_length_b 8.20273029
_cell_length_c 5.99169676
_cell_angle_alpha 77.13265952
_cell_angle_beta 89.0143268
_cell_angle_gamma 90.75553767
_space_... | data_image0
_chemical_formula_structural Li4Mn2Fe2B4O12B
_chemical_formula_sum "Li4 Mn2 Fe2 B5 O12"
_cell_length_a 5.23969178
_cell_length_b 8.20273029
_cell_length_c 5.99169676
_cell_angle_alpha 77.13265952
_cell_angle_beta 89.0143268
_cell_angle_gamma 90.75553767
_space... |
InsertBetweenAtomsAction | 077067c8-1ed1-4bf9-8f93-fca0dd14ebbc | mp-777904 | Insert a Cm atom in the line between atoms at indices 21 and 24, and the inserted atom must be 0.41 angstrom from atom at 21 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 Li4Ti6Cr2O16Cm
_chemical_formula_sum "Li4 Ti6 Cr2 O16 Cm1"
_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 | f1688338-48ba-4ac5-b07e-ed2d09bae038 | mp-1020592 | Insert a B atom in the line between atoms at indices 25 and 28, and the inserted atom must be 2.07 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_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 Sr8Li4Si8N16O2B
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2 B1"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 61be5ed4-ac0d-4ec1-ae91-7057b9080baf | mp-1386638 | Insert a Co atom in the line between atoms at indices 14 and 1, and the inserted atom must be 2.20 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16Co
_chemical_formula_sum "Na5 Cu3 P4 O16 Co1"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_... |
InsertBetweenAtomsAction | 45c05a83-dff4-4929-8fb7-b954b9b82398 | mp-19489 | Insert a Rh atom in the line between atoms at indices 17 and 57, and the inserted atom must be 5.91 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40Rh
_chemical_formula_sum "Sm4 Co4 B20 O40 Rh1"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | c1b58eff-99ff-4420-9475-41263235e383 | mp-6955 | Insert a O atom in the line between atoms at indices 2 and 14, and the inserted atom must be 2.60 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 K4Ge4N4O5
_chemical_formula_sum "K4 Ge4 N4 O5"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
InsertBetweenAtomsAction | 1fb039a8-8294-4980-b9ce-d2de09a909ee | mp-770361 | Insert a I atom in the line between atoms at indices 6 and 27, and the inserted atom must be 2.80 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li4V8B4O20
_chemical_formula_sum "Li4 V8 B4 O20"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_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 Li4V8B4O20I
_chemical_formula_sum "Li4 V8 B4 O20 I1"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_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 | 21b8525b-b027-473e-b321-535a860a5463 | mp-7998 | Insert a Mt atom in the line between atoms at indices 5 and 7, and the inserted atom must be 2.37 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge4O10Mt
_chemical_formula_sum "Li4 Ge4 O10 Mt1"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | e65626e8-4675-41cd-9e11-f886a493f515 | mp-1190131 | Insert a Rg atom in the line between atoms at indices 3 and 6, and the inserted atom must be 3.69 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural La4Sc4S12
_chemical_formula_sum "La4 Sc4 S12"
_cell_length_a 6.58114518
_cell_length_b 7.21722551
_cell_length_c 9.64897414
_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 La4Sc4S12Rg
_chemical_formula_sum "La4 Sc4 S12 Rg1"
_cell_length_a 6.58114518
_cell_length_b 7.21722551
_cell_length_c 9.64897414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 9e3bc7ee-ec0a-49d3-b20a-3153ca44a8df | mp-1105068 | Insert a Bk atom in the line between atoms at indices 12 and 6, and the inserted atom must be 2.23 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7Bk
_chemical_formula_sum "Ba1 Y1 Fe4 O7 Bk1"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_s... |
InsertBetweenAtomsAction | dcab013e-2758-4253-9c43-d998f72f3bec | mp-774789 | Insert a Gd atom in the line between atoms at indices 43 and 30, and the inserted atom must be 6.61 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32Gd
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32 Gd1"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74... |
InsertBetweenAtomsAction | 30849ea8-dbf0-4004-879e-0c3d41d4d841 | mp-23013 | Insert a F atom in the line between atoms at indices 7 and 9, and the inserted atom must be 4.63 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 U4Cl8O8F
_chemical_formula_sum "U4 Cl8 O8 F1"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 | dae4c08d-55fa-4f30-b9fe-9a5ff6ee9fc5 | mp-1220955 | Insert a Og atom in the line between atoms at indices 7 and 14, and the inserted atom must be 1.27 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural NaSr2Fe6As6Og
_chemical_formula_sum "Na1 Sr2 Fe6 As6 Og1"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group... |
InsertBetweenAtomsAction | 1c764f9d-a00c-4b39-9072-fda598f220ec | mp-1110736 | Insert a Cr atom in the line between atoms at indices 1 and 0, and the inserted atom must be 8.16 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Rb3AlBr6
_chemical_formula_sum "Rb3 Al1 Br6"
_cell_length_a 8.15533404
_cell_length_b 8.15533404
_cell_length_c 8.15533404
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Rb3AlBr6Cr
_chemical_formula_sum "Rb3 Al1 Br6 Cr1"
_cell_length_a 8.15533404
_cell_length_b 8.15533404
_cell_length_c 8.15533404
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
InsertBetweenAtomsAction | dd41eb09-54c4-4d3c-9c00-4f570a32bea5 | mp-1360929 | Insert a Se atom in the line between atoms at indices 1 and 36, and the inserted atom must be 2.23 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg3Cr6Fe4O24
_chemical_formula_sum "Mg3 Cr6 Fe4 O24"
_cell_length_a 6.69328991
_cell_length_b 8.15055763
_cell_length_c 9.82946339
_cell_angle_alpha 104.80703253
_cell_angle_beta 105.89604363
_cell_angle_gamma 102.07778496
_space_g... | data_image0
_chemical_formula_structural Mg3Cr6Fe4O24Se
_chemical_formula_sum "Mg3 Cr6 Fe4 O24 Se1"
_cell_length_a 6.69328991
_cell_length_b 8.15055763
_cell_length_c 9.82946339
_cell_angle_alpha 104.80703253
_cell_angle_beta 105.89604363
_cell_angle_gamma 102.07778496
_s... |
InsertBetweenAtomsAction | ecfd61ae-5fcc-4a3b-b7b5-6dcf6b8c13cd | mp-770481 | Insert a Bk atom in the line between atoms at indices 14 and 16, and the inserted atom must be 1.57 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta9PO25Bk
_chemical_formula_sum "Ta9 P1 O25 Bk1"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_grou... |
InsertBetweenAtomsAction | f7a3ead9-2e18-47d0-9222-f4f2419cd534 | mp-1193081 | Insert a Ho atom in the line between atoms at indices 22 and 1, and the inserted atom must be 0.64 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Cs12Cr4O14
_chemical_formula_sum "Cs12 Cr4 O14"
_cell_length_a 7.2455194
_cell_length_b 9.81900027
_cell_length_c 9.892262060000002
_cell_angle_alpha 89.99825766
_cell_angle_beta 90.89857344999999
_cell_angle_gamma 90.00020682000002... | data_image0
_chemical_formula_structural Cs12Cr4O14Ho
_chemical_formula_sum "Cs12 Cr4 O14 Ho1"
_cell_length_a 7.2455194
_cell_length_b 9.81900027
_cell_length_c 9.892262060000002
_cell_angle_alpha 89.99825766
_cell_angle_beta 90.89857344999999
_cell_angle_gamma 90.00020682... |
InsertBetweenAtomsAction | cadf1333-f99f-45e3-ab1c-cfda36003a64 | mp-13514 | Insert a Ta atom in the line between atoms at indices 6 and 8, and the inserted atom must be 3.35 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... | data_image0
_chemical_formula_structural Nd4B4O12Ta
_chemical_formula_sum "Nd4 B4 O12 Ta1"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
... |
InsertBetweenAtomsAction | 8face1a8-5c3f-48c0-9381-295710e0f04c | mp-17256 | Insert a O atom in the line between atoms at indices 17 and 34, and the inserted atom must be 2.87 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... | data_image0
_chemical_formula_structural Rb4Hf6O2F24O
_chemical_formula_sum "Rb4 Hf6 O3 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.3319367700000... |
InsertBetweenAtomsAction | 26371d40-c232-4bc9-a4ef-553a8f7cf1d8 | mp-1221954 | Insert a Ce atom in the line between atoms at indices 8 and 4, and the inserted atom must be 0.75 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTi2ZnO6Ce
_chemical_formula_sum "Mg1 Ti2 Zn1 O6 Ce1"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54... |
InsertBetweenAtomsAction | fb728bec-24c4-4892-88c9-4e1529693cc4 | mp-1181584 | Insert a At atom in the line between atoms at indices 11 and 35, and the inserted atom must be 2.30 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural H16C4N16O8
_chemical_formula_sum "H16 C4 N16 O8"
_cell_length_a 15.64905994
_cell_length_b 12.69497605
_cell_length_c 9.453627849999998
_cell_angle_alpha 88.65347747000001
_cell_angle_beta 54.19426781999998
_cell_angle_gamma 37.1522... | data_image0
_chemical_formula_structural H16C4N16O8At
_chemical_formula_sum "H16 C4 N16 O8 At1"
_cell_length_a 15.64905994
_cell_length_b 12.69497605
_cell_length_c 9.453627849999998
_cell_angle_alpha 88.65347747000001
_cell_angle_beta 54.19426781999998
_cell_angle_gamma 3... |
InsertBetweenAtomsAction | 4df8b0f3-14a0-4c48-888f-1a61c92a4f06 | mp-1193732 | Insert a Gd atom in the line between atoms at indices 17 and 9, and the inserted atom must be 5.21 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12Gd
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12 Gd1"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | 07b434e3-67f2-4159-85b0-43f2c775e4ba | mp-29829 | Insert a Tm atom in the line between atoms at indices 6 and 1, and the inserted atom must be 1.23 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li4Au4S4
_chemical_formula_sum "Li4 Au4 S4"
_cell_length_a 6.36289158
_cell_length_b 6.36289199
_cell_length_c 7.21163204
_cell_angle_alpha 116.47822777999998
_cell_angle_beta 116.47822393999999
_cell_angle_gamma 89.38917855000001
... | data_image0
_chemical_formula_structural Li4Au4S4Tm
_chemical_formula_sum "Li4 Au4 S4 Tm1"
_cell_length_a 6.36289158
_cell_length_b 6.36289199
_cell_length_c 7.21163204
_cell_angle_alpha 116.47822777999998
_cell_angle_beta 116.47822393999999
_cell_angle_gamma 89.3891785500... |
InsertBetweenAtomsAction | f012a559-8a01-40cb-9d7e-7755e96288b3 | mp-1031226 | Insert a Na atom in the line between atoms at indices 1 and 5, and the inserted atom must be 0.49 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_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 RbMg6TiO8Na
_chemical_formula_sum "Rb1 Mg6 Ti1 O8 Na1"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 153d2681-e56d-437a-8fc6-af38fa2a7117 | mp-29226 | Insert a Np atom in the line between atoms at indices 41 and 9, and the inserted atom must be 4.47 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... | data_image0
_chemical_formula_structural Ca9Ga12O27Np
_chemical_formula_sum "Ca9 Ga12 O27 Np1"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_gr... |
InsertBetweenAtomsAction | 78befe3e-c301-4ac7-b602-90e96043e29e | mp-531661 | Insert a Lu atom in the line between atoms at indices 41 and 17, and the inserted atom must be 1.21 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39Lu
_chemical_formula_sum "Nd10 Ti12 O39 Lu1"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_... |
InsertBetweenAtomsAction | 3c459b4c-6976-482e-862f-78e116fa42c6 | mp-27330 | Insert a La atom in the line between atoms at indices 0 and 7, and the inserted atom must be 0.67 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural La3Os2O10
_chemical_formula_sum "La3 Os2 O10"
_cell_length_a 5.62184173
_cell_length_b 5.62184182
_cell_length_c 6.940714679999999
_cell_angle_alpha 107.87126291
_cell_angle_beta 107.8712631
_cell_angle_gamma 90.60547313999999
_spa... | data_image0
_chemical_formula_structural La3Os2O10La
_chemical_formula_sum "La4 Os2 O10"
_cell_length_a 5.62184173
_cell_length_b 5.62184182
_cell_length_c 6.940714679999999
_cell_angle_alpha 107.87126291
_cell_angle_beta 107.8712631
_cell_angle_gamma 90.60547313999999
_s... |
InsertBetweenAtomsAction | ac0b5a01-50da-42cd-a59c-944bf9ee24ba | mp-685992 | Insert a Te atom in the line between atoms at indices 4 and 26, and the inserted atom must be 1.33 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li8Cr4Cl16
_chemical_formula_sum "Li8 Cr4 Cl16"
_cell_length_a 7.228764
_cell_length_b 7.42284197
_cell_length_c 12.83742393
_cell_angle_alpha 78.00485524
_cell_angle_beta 74.78317196
_cell_angle_gamma 62.50011299999999
_space_grou... | data_image0
_chemical_formula_structural Li8Cr4Cl16Te
_chemical_formula_sum "Li8 Cr4 Cl16 Te1"
_cell_length_a 7.228764
_cell_length_b 7.42284197
_cell_length_c 12.83742393
_cell_angle_alpha 78.00485524
_cell_angle_beta 74.78317196
_cell_angle_gamma 62.50011299999999
_spac... |
InsertBetweenAtomsAction | 379c3b2a-e95b-4fcb-a1cc-b283c0fd251c | mp-1198379 | Insert a At atom in the line between atoms at indices 40 and 45, and the inserted atom must be 4.72 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural U8Cl8O40
_chemical_formula_sum "U8 Cl8 O40"
_cell_length_a 5.916021
_cell_length_b 11.02909539
_cell_length_c 19.22433123
_cell_angle_alpha 103.30643445999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U8Cl8O40At
_chemical_formula_sum "U8 Cl8 O40 At1"
_cell_length_a 5.916021
_cell_length_b 11.02909539
_cell_length_c 19.22433123
_cell_angle_alpha 103.30643445999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 3da6635c-845a-4812-b0c6-57f4441a84b1 | mp-779456 | Insert a Lv atom in the line between atoms at indices 18 and 9, and the inserted atom must be 0.79 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 Y8Re4O20Lv
_chemical_formula_sum "Y8 Re4 O20 Lv1"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 4e4f9334-ab22-4931-8b5d-8fa297ef16fe | mp-29057 | Insert a Ce atom in the line between atoms at indices 5 and 6, and the inserted atom must be 2.74 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb3SBr7Ce
_chemical_formula_sum "Nb3 S1 Br7 Ce1"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_... |
InsertBetweenAtomsAction | cc659354-d0bd-42a2-97b7-6774fb5e766b | mp-2503 | Insert a Ni atom in the line between atoms at indices 5 and 20, and the inserted atom must be 0.45 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8Ni
_chemical_formula_sum "Pd14 Se8 Ni1"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_nam... |
InsertBetweenAtomsAction | 92bec708-7aa5-4884-99a6-027c4456fcda | mp-1343823 | Insert a P atom in the line between atoms at indices 15 and 1, and the inserted atom must be 2.01 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ca4Ta2Sb2O12
_chemical_formula_sum "Ca4 Ta2 Sb2 O12"
_cell_length_a 8.036065
_cell_length_b 5.719254
_cell_length_c 5.9235469
_cell_angle_alpha 89.03685924
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4Ta2Sb2O12P
_chemical_formula_sum "Ca4 Ta2 Sb2 O12 P1"
_cell_length_a 8.036065
_cell_length_b 5.719254
_cell_length_c 5.9235469
_cell_angle_alpha 89.03685924
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 5044dbb0-4dd4-4e71-ab37-b536c100b6dd | mp-1191448 | Insert a Tc atom in the line between atoms at indices 6 and 9, and the inserted atom must be 1.47 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... | data_image0
_chemical_formula_structural Co2I4O16Tc
_chemical_formula_sum "Co2 I4 O16 Tc1"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_n... |
InsertBetweenAtomsAction | 060bdfab-7dff-4861-8720-411c7fc72859 | mp-1225420 | Insert a Pb atom in the line between atoms at indices 2 and 11, and the inserted atom must be 0.84 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Fe3W4N8
_chemical_formula_sum "Fe3 W4 N8"
_cell_length_a 10.79563324
_cell_length_b 10.79563324
_cell_length_c 4.999819900000001
_cell_angle_alpha 78.12233291
_cell_angle_beta 78.12233291
_cell_angle_gamma 15.285989940000006
_space... | data_image0
_chemical_formula_structural Fe3W4N8Pb
_chemical_formula_sum "Fe3 W4 N8 Pb1"
_cell_length_a 10.79563324
_cell_length_b 10.79563324
_cell_length_c 4.999819900000001
_cell_angle_alpha 78.12233291
_cell_angle_beta 78.12233291
_cell_angle_gamma 15.285989940000006
... |
InsertBetweenAtomsAction | 134a749d-a2a0-4452-8dfe-66538df6bfdd | mp-1044670 | Insert a Ga atom in the line between atoms at indices 6 and 8, and the inserted atom must be 1.96 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... | data_image0
_chemical_formula_structural Zn2Ag4O8Ga
_chemical_formula_sum "Zn2 Ag4 O8 Ga1"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_s... |
InsertBetweenAtomsAction | 6571feff-1343-4bc0-b027-73414afbd972 | mp-1110571 | Insert a Tl atom in the line between atoms at indices 6 and 8, and the inserted atom must be 2.26 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6Tl
_chemical_formula_sum "Na3 Cr1 F6 Tl1"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group... |
InsertBetweenAtomsAction | 348c8128-0adf-4ed1-bd27-625c23b77d1a | mp-558102 | Insert a Sr atom in the line between atoms at indices 8 and 9, and the inserted atom must be 0.66 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O10Sr
_chemical_formula_sum "K2 Li2 Si4 O10 Sr1"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | e91b9e38-c006-48bb-95e5-7bb2bd1f234e | mp-1219949 | Insert a Cl atom in the line between atoms at indices 9 and 5, and the inserted atom must be 2.73 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2AlFe16Cl
_chemical_formula_sum "Pr2 Al1 Fe16 Cl1"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75... |
InsertBetweenAtomsAction | d3b73e61-cbc0-488b-ae56-6ff79b501785 | mp-1201394 | Insert a Ga atom in the line between atoms at indices 12 and 5, and the inserted atom must be 4.90 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural K8Zn4H32N16
_chemical_formula_sum "K8 Zn4 H32 N16"
_cell_length_a 7.330377
_cell_length_b 7.71889881
_cell_length_c 13.45082991
_cell_angle_alpha 106.05557938
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Zn4H32N16Ga
_chemical_formula_sum "K8 Zn4 H32 N16 Ga1"
_cell_length_a 7.330377
_cell_length_b 7.71889881
_cell_length_c 13.45082991
_cell_angle_alpha 106.05557938
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 4abc521c-8137-4dd2-b10a-5b26d3c4b896 | mp-18953 | Insert a Sc atom in the line between atoms at indices 8 and 10, and the inserted atom must be 1.57 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Na2V2O4F4
_chemical_formula_sum "Na2 V2 O4 F4"
_cell_length_a 3.575516
_cell_length_b 6.56286279
_cell_length_c 7.32158901
_cell_angle_alpha 110.04631364
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na2V2O4F4Sc
_chemical_formula_sum "Na2 V2 O4 F4 Sc1"
_cell_length_a 3.575516
_cell_length_b 6.56286279
_cell_length_c 7.32158901
_cell_angle_alpha 110.04631364
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | bc1c0946-62e4-444b-8031-16bdc54cf4a8 | mp-580525 | Insert a Pa atom in the line between atoms at indices 43 and 34, and the inserted atom must be 6.61 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Dy12Ni12Sn24Pa
_chemical_formula_sum "Dy12 Ni12 Sn24 Pa1"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 83f8c25a-b285-4bd1-b347-8793b7ad40a0 | mp-1105973 | Insert a Lv atom in the line between atoms at indices 12 and 14, and the inserted atom must be 1.62 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Sc4Ag4Se8Lv
_chemical_formula_sum "Sc4 Ag4 Se8 Lv1"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | dabec7af-523f-46b1-b103-6bdb86791e54 | mp-1228192 | Insert a Fm atom in the line between atoms at indices 15 and 8, and the inserted atom must be 1.65 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... | data_image0
_chemical_formula_structural Al8Si4Mo6Fm
_chemical_formula_sum "Al8 Si4 Mo6 Fm1"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_spa... |
InsertBetweenAtomsAction | f237bcf3-eaa4-4249-8009-78b58d001bea | mp-774885 | Insert a Gd atom in the line between atoms at indices 20 and 5, and the inserted atom must be 0.60 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural V3CrCo2P6O24
_chemical_formula_sum "V3 Cr1 Co2 P6 O24"
_cell_length_a 8.50726384
_cell_length_b 8.50726384
_cell_length_c 8.50726429
_cell_angle_alpha 60.766009279999984
_cell_angle_beta 60.766009279999984
_cell_angle_gamma 60.76600... | data_image0
_chemical_formula_structural V3CrCo2P6O24Gd
_chemical_formula_sum "V3 Cr1 Co2 P6 O24 Gd1"
_cell_length_a 8.50726384
_cell_length_b 8.50726384
_cell_length_c 8.50726429
_cell_angle_alpha 60.766009279999984
_cell_angle_beta 60.766009279999984
_cell_angle_gamma 60... |
InsertBetweenAtomsAction | a0cb4981-cbde-45cc-9196-471dd903172c | mp-787524 | Insert a Bh atom in the line between atoms at indices 22 and 18, and the inserted atom must be 2.06 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Li8Fe2W6O24
_chemical_formula_sum "Li8 Fe2 W6 O24"
_cell_length_a 5.11933652
_cell_length_b 10.195318270000001
_cell_length_c 10.09545099
_cell_angle_alpha 60.32184485
_cell_angle_beta 90.65949022
_cell_angle_gamma 90.32099601
_spa... | data_image0
_chemical_formula_structural Li8Fe2W6O24Bh
_chemical_formula_sum "Li8 Fe2 W6 O24 Bh1"
_cell_length_a 5.11933652
_cell_length_b 10.195318270000001
_cell_length_c 10.09545099
_cell_angle_alpha 60.32184485
_cell_angle_beta 90.65949022
_cell_angle_gamma 90.32099601... |
InsertBetweenAtomsAction | c1b39d19-1eb8-4a72-a533-a85e0ca8f810 | mp-2217353 | Insert a Li atom in the line between atoms at indices 8 and 6, and the inserted atom must be 2.07 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ba2MgBi2O6
_chemical_formula_sum "Ba2 Mg1 Bi2 O6"
_cell_length_a 6.19601964
_cell_length_b 6.19601946
_cell_length_c 7.51072299
_cell_angle_alpha 64.56155273
_cell_angle_beta 64.56155424
_cell_angle_gamma 61.34173851
_space_group_n... | data_image0
_chemical_formula_structural Ba2MgBi2O6Li
_chemical_formula_sum "Ba2 Mg1 Bi2 O6 Li1"
_cell_length_a 6.19601964
_cell_length_b 6.19601946
_cell_length_c 7.51072299
_cell_angle_alpha 64.56155273
_cell_angle_beta 64.56155424
_cell_angle_gamma 61.34173851
_space_g... |
InsertBetweenAtomsAction | 62a5e1d9-f2a3-4a54-8117-a927594b3036 | mp-1234726 | Insert a Ne atom in the line between atoms at indices 20 and 18, and the inserted atom must be 0.62 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.37459148
_cell_length_b 5.317915359999999
_cell_length_c 11.582483039999998
_cell_angle_alpha 89.02297118
_cell_angle_beta 87.61815172
_cell_angle_gamma 93.09989270999... | data_image0
_chemical_formula_structural MgFe8O8F8Ne
_chemical_formula_sum "Mg1 Fe8 O8 F8 Ne1"
_cell_length_a 5.37459148
_cell_length_b 5.317915359999999
_cell_length_c 11.582483039999998
_cell_angle_alpha 89.02297118
_cell_angle_beta 87.61815172
_cell_angle_gamma 93.09989... |
InsertBetweenAtomsAction | de87c6cf-d8fb-45af-8160-bc958133479e | mp-18051 | Insert a C atom in the line between atoms at indices 15 and 6, and the inserted atom must be 6.39 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... | data_image0
_chemical_formula_structural La8Ti4O20C
_chemical_formula_sum "La8 Ti4 O20 C1"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group... |
InsertBetweenAtomsAction | bcce5a49-327d-41d2-8eee-815dbbfa65e6 | mp-1020027 | Insert a No atom in the line between atoms at indices 21 and 48, and the inserted atom must be 7.09 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li16P8O28No
_chemical_formula_sum "Li16 P8 O28 No1"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 34904515-9327-4759-8d97-060c1fde6ff9 | mp-1214552 | Insert a Mg atom in the line between atoms at indices 6 and 20, and the inserted atom must be 6.30 angstrom from atom at 6 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 Ba8Cu6Si40Mg
_chemical_formula_sum "Ba8 Cu6 Si40 Mg1"
_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 89.99998272000... |
InsertBetweenAtomsAction | 1f703bbe-ccb8-4596-b41c-fd88c4ba7c0f | mp-1191101 | Insert a Cl atom in the line between atoms at indices 5 and 17, and the inserted atom must be 0.90 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural K4Mg4B4O12
_chemical_formula_sum "K4 Mg4 B4 O12"
_cell_length_a 6.908451
_cell_length_b 6.908451
_cell_length_c 6.908451
_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 K4Mg4B4O12Cl
_chemical_formula_sum "K4 Mg4 B4 O12 Cl1"
_cell_length_a 6.908451
_cell_length_b 6.908451
_cell_length_c 6.908451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | de1bd1bd-0054-4bfa-9bcc-b390e48a37ce | mp-1210838 | Insert a Se atom in the line between atoms at indices 26 and 2, and the inserted atom must be 2.10 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_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 Mg2P2H12N2O10Se
_chemical_formula_sum "Mg2 P2 H12 N2 O10 Se1"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | e92fef4f-46e2-4049-b983-f95f571b811b | mp-1079648 | Insert a Pr atom in the line between atoms at indices 4 and 7, and the inserted atom must be 4.69 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 U2Ge4Rh4Pr
_chemical_formula_sum "U2 Ge4 Rh4 Pr1"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 | 024d8159-ee2d-4d6a-a35b-ff60b106ab63 | mp-1238837 | Insert a Sm atom in the line between atoms at indices 10 and 13, and the inserted atom must be 3.23 angstrom from atom at 10 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 B24H24Sm
_chemical_formula_sum "B24 H24 Sm1"
_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 | 22452fc6-6ea5-4e34-b978-e3b6c60079bc | mp-1205925 | Insert a Md atom in the line between atoms at indices 2 and 6, and the inserted atom must be 2.42 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_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 Sm4In2Au4Md
_chemical_formula_sum "Sm4 In2 Au4 Md1"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | bf77aefc-abd4-4c2f-8a4a-767dd9ee0aa2 | mp-1110571 | Insert a Ho atom in the line between atoms at indices 7 and 9, and the inserted atom must be 2.71 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6Ho
_chemical_formula_sum "Na3 Cr1 F6 Ho1"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group... |
InsertBetweenAtomsAction | c16ab9d2-5d23-45b3-8a2d-8ac8ea8ae908 | mp-1202750 | Insert a Li atom in the line between atoms at indices 30 and 20, and the inserted atom must be 4.03 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P12Ru19Li
_chemical_formula_sum "Nd5 P12 Ru19 Li1"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name... |
InsertBetweenAtomsAction | 6909303b-195f-4f14-8dba-95852cb501a1 | mp-1101922 | Insert a Lr atom in the line between atoms at indices 10 and 9, and the inserted atom must be 2.18 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Eu4Fe8Lr
_chemical_formula_sum "Eu4 Fe8 Lr1"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | ecfbbda2-d075-418c-839a-2f42418fe75a | mp-1246013 | Insert a Rn atom in the line between atoms at indices 10 and 4, and the inserted atom must be 2.65 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V2C3N6Rn
_chemical_formula_sum "V2 C3 N6 Rn1"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M... |
InsertBetweenAtomsAction | 05006b47-be5a-4a96-9280-8a81104e757a | mp-1180291 | Insert a Li atom in the line between atoms at indices 21 and 10, and the inserted atom must be 2.47 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... | data_image0
_chemical_formula_structural MnFe2P2O18Li
_chemical_formula_sum "Mn1 Fe2 P2 O18 Li1"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_g... |
InsertBetweenAtomsAction | ad6de956-4f40-4643-b25e-2f12d69fc08f | mp-3792 | Insert a Eu atom in the line between atoms at indices 0 and 9, and the inserted atom must be 3.17 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Y4Al4O12
_chemical_formula_sum "Y4 Al4 O12"
_cell_length_a 5.17603105
_cell_length_b 5.31735851
_cell_length_c 7.37249317
_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 Y4Al4O12Eu
_chemical_formula_sum "Y4 Al4 O12 Eu1"
_cell_length_a 5.17603105
_cell_length_b 5.31735851
_cell_length_c 7.37249317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | cea01f9d-8f7f-46f6-8adc-f5c344e1a379 | mp-607917 | Insert a Yb atom in the line between atoms at indices 20 and 1, and the inserted atom must be 1.49 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12Yb
_chemical_formula_sum "La21 Fe8 Sn7 C12 Yb1"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gam... |
InsertBetweenAtomsAction | c48388ce-a807-472d-acb4-30913abd78db | mp-2228789 | Insert a Hs atom in the line between atoms at indices 12 and 13, and the inserted atom must be 0.82 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 6.93682881
_cell_length_b 15.10297566
_cell_length_c 3.10243694
_cell_angle_alpha 90.08972542
_cell_angle_beta 90.08295703
_cell_angle_gamma 135.01619084
_space_group_n... | data_image0
_chemical_formula_structural MgFe6O6F6Hs
_chemical_formula_sum "Mg1 Fe6 O6 F6 Hs1"
_cell_length_a 6.93682881
_cell_length_b 15.10297566
_cell_length_c 3.10243694
_cell_angle_alpha 90.08972542
_cell_angle_beta 90.08295703
_cell_angle_gamma 135.01619084
_space_g... |
InsertBetweenAtomsAction | 73716ab8-0111-4817-ba03-c87a73b292c7 | mp-2232136 | Insert a Ds atom in the line between atoms at indices 9 and 1, and the inserted atom must be 2.30 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... | data_image0
_chemical_formula_structural K2RbTbMgV2O8Ds
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8 Ds1"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_sp... |
InsertBetweenAtomsAction | 2ad8aa62-b3bf-4492-813a-489790af18cd | mp-804134 | Insert a Mt atom in the line between atoms at indices 3 and 10, and the inserted atom must be 3.55 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li5Ni3Sb2O10
_chemical_formula_sum "Li5 Ni3 Sb2 O10"
_cell_length_a 5.23986
_cell_length_b 5.36264358
_cell_length_c 7.922721919999999
_cell_angle_alpha 106.90686584
_cell_angle_beta 102.75707066000001
_cell_angle_gamma 101.80098846... | data_image0
_chemical_formula_structural Li5Ni3Sb2O10Mt
_chemical_formula_sum "Li5 Ni3 Sb2 O10 Mt1"
_cell_length_a 5.23986
_cell_length_b 5.36264358
_cell_length_c 7.922721919999999
_cell_angle_alpha 106.90686584
_cell_angle_beta 102.75707066000001
_cell_angle_gamma 101.80... |
InsertBetweenAtomsAction | 4d6f4e84-647e-40ad-be07-ab8a0a38d427 | mp-1233214 | Insert a Cf atom in the line between atoms at indices 5 and 18, and the inserted atom must be 4.05 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ba2Y2MgFe4O10
_chemical_formula_sum "Ba2 Y2 Mg1 Fe4 O10"
_cell_length_a 3.868654
_cell_length_b 8.214905
_cell_length_c 8.698939
_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 Ba2Y2MgFe4O10Cf
_chemical_formula_sum "Ba2 Y2 Mg1 Fe4 O10 Cf1"
_cell_length_a 3.868654
_cell_length_b 8.214905
_cell_length_c 8.698939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 20fceb10-3c34-4b26-a0b8-bc4ec258f8c2 | mp-850933 | Insert a B atom in the line between atoms at indices 8 and 16, and the inserted atom must be 1.71 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Fe8O14F2B
_chemical_formula_sum "Fe8 O14 F2 B1"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 3ea1d4a9-c4b1-4136-aa99-d5351c274d99 | mp-776026 | Insert a Nb atom in the line between atoms at indices 15 and 8, and the inserted atom must be 2.49 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Li8Fe8F24Nb
_chemical_formula_sum "Li8 Fe8 F24 Nb1"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | 53820a95-d938-48d9-a9e3-eff26f192fbc | mp-1208177 | Insert a Re atom in the line between atoms at indices 3 and 8, and the inserted atom must be 0.73 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U8Co2Re
_chemical_formula_sum "U8 Co2 Re1"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
InsertBetweenAtomsAction | b15ce60d-045f-4cc3-bd56-86974f170e64 | mp-1219042 | Insert a Na atom in the line between atoms at indices 1 and 9, and the inserted atom must be 1.51 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural SmMn5Co7
_chemical_formula_sum "Sm1 Mn5 Co7"
_cell_length_a 6.34837552
_cell_length_b 6.34837552
_cell_length_c 6.34837552
_cell_angle_alpha 137.60390248999997
_cell_angle_beta 97.53482762
_cell_angle_gamma 97.49096846
_space_group... | data_image0
_chemical_formula_structural SmMn5Co7Na
_chemical_formula_sum "Sm1 Mn5 Co7 Na1"
_cell_length_a 6.34837552
_cell_length_b 6.34837552
_cell_length_c 6.34837552
_cell_angle_alpha 137.60390248999997
_cell_angle_beta 97.53482762
_cell_angle_gamma 97.49096846
_space... |
InsertBetweenAtomsAction | 75b9268c-8a53-4699-ae84-9a09ede7cdc5 | mp-1026556 | Insert a Md atom in the line between atoms at indices 14 and 1, and the inserted atom must be 2.54 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CrCMd
_chemical_formula_sum "Mg14 Cr1 C1 Md1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M... |
InsertBetweenAtomsAction | e1fc13e7-f7a5-4f07-84dc-3bcc0ebc6dc1 | mp-3380 | Insert a Sb atom in the line between atoms at indices 9 and 0, and the inserted atom must be 3.83 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural La4Rh4C8Sb
_chemical_formula_sum "La4 Rh4 C8 Sb1"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | 4b4d5ec2-c7cd-43f1-9c23-1a5d6fe04278 | mp-570405 | Insert a Hg atom in the line between atoms at indices 40 and 42, and the inserted atom must be 2.57 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_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 Ti4Hg24P16Cl28Hg
_chemical_formula_sum "Ti4 Hg25 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b05ad449-1f00-4d9a-85ee-3a6c5da96084 | mp-19489 | Insert a Bi atom in the line between atoms at indices 39 and 6, and the inserted atom must be 1.86 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40Bi
_chemical_formula_sum "Sm4 Co4 B20 O40 Bi1"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 87e473ef-0e0f-460e-a6d4-d1b5f6a5c646 | mp-1197276 | Insert a Y atom in the line between atoms at indices 24 and 41, and the inserted atom must be 4.85 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural La14I6O36
_chemical_formula_sum "La14 I6 O36"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La14I6O36Y
_chemical_formula_sum "La14 I6 O36 Y1"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H-M... |
InsertBetweenAtomsAction | c6063018-9076-4d78-9c5e-7c06c5c50b6a | mp-1205145 | Insert a Hg atom in the line between atoms at indices 50 and 2, and the inserted atom must be 0.53 angstrom from atom at 50 in the cif file. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_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 Na8Ti4Si16H8O52Hg
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52 Hg1"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 843a0a40-1f15-4339-a93a-a374f9e572ca | mp-1177530 | Insert a Cr atom in the line between atoms at indices 25 and 24, and the inserted atom must be 3.97 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16Cr
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16 Cr1"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437... |
InsertBetweenAtomsAction | eff0a102-01c1-42ff-873b-d7c2d517d843 | mp-19484 | Insert a La atom in the line between atoms at indices 6 and 21, and the inserted atom must be 3.38 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 Ba4Ca4V8O28La
_chemical_formula_sum "Ba4 Ca4 V8 O28 La1"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 7d045776-8742-4ca7-8ae0-668fdce4a9b1 | mp-1237178 | Insert a As atom in the line between atoms at indices 7 and 9, and the inserted atom must be 0.41 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... | data_image0
_chemical_formula_structural Hf3NiF6As
_chemical_formula_sum "Hf3 Ni1 F6 As1"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
... |
InsertBetweenAtomsAction | ee1de5f5-dd03-4e23-9b67-06978406d187 | mp-11609 | Insert a Fl atom in the line between atoms at indices 5 and 2, and the inserted atom must be 1.40 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4Fl
_chemical_formula_sum "Sb2 Mo4 S4 Fl1"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
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