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 | 0253c444-d4d7-436c-9215-bd1174833983 | mp-627632 | Insert a N atom in the line between atoms at indices 49 and 17, and the inserted atom must be 4.14 angstrom from atom at 49 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 Si16H8O36N
_chemical_formula_sum "Si16 H8 O36 N1"
_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 | 3b309931-4b71-4b6f-8cbd-4e4df755d5fc | mp-776484 | Insert a Pr atom in the line between atoms at indices 25 and 50, and the inserted atom must be 2.00 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... | data_image0
_chemical_formula_structural Li12Sn6P16O58Pr
_chemical_formula_sum "Li12 Sn6 P16 O58 Pr1"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
... |
InsertBetweenAtomsAction | 5ee1130d-897c-4fb3-a580-6f4587704b06 | mp-1191019 | Insert a Cm atom in the line between atoms at indices 0 and 6, and the inserted atom must be 4.18 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Er2Mn12P7Cm
_chemical_formula_sum "Er2 Mn12 P7 Cm1"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 590e6c21-f99a-4781-b4e8-b06e05e3914b | mp-1172905 | Insert a Hg atom in the line between atoms at indices 1 and 10, and the inserted atom must be 3.80 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6Hg
_chemical_formula_sum "Ag3 Bi3 S6 Hg1"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2e437d8e-cf37-4bdc-85c4-0062039d5a09 | mp-636519 | Insert a S atom in the line between atoms at indices 9 and 12, and the inserted atom must be 0.92 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4O8S
_chemical_formula_sum "Ni2 Rh4 O8 S1"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_n... |
InsertBetweenAtomsAction | 42d33e32-e282-480f-9fdd-f0637b6cdf26 | mp-3606 | Insert a Nh atom in the line between atoms at indices 0 and 15, and the inserted atom must be 3.68 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mn4Si4N8
_chemical_formula_sum "Mn4 Si4 N8"
_cell_length_a 5.1227
_cell_length_b 5.321698
_cell_length_c 6.531479
_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_I... | data_image0
_chemical_formula_structural Mn4Si4N8Nh
_chemical_formula_sum "Mn4 Si4 N8 Nh1"
_cell_length_a 5.1227
_cell_length_b 5.321698
_cell_length_c 6.531479
_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... |
InsertBetweenAtomsAction | e14eff79-79d1-450d-9718-d46278615d80 | mp-561286 | Insert a Ru atom in the line between atoms at indices 25 and 11, and the inserted atom must be 6.61 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn20S20Ru
_chemical_formula_sum "Zn20 S20 Ru1"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_na... |
InsertBetweenAtomsAction | 936362f1-d636-40a9-9584-9fc3e3ca986a | mp-861612 | Insert a N atom in the line between atoms at indices 20 and 1, and the inserted atom must be 0.60 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16N
_chemical_formula_sum "Cr2 Fe2 P4 O16 N1"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3d5dd54b-0409-48b0-9459-4d2b46f44f2d | mp-753290 | Insert a Th atom in the line between atoms at indices 16 and 17, and the inserted atom must be 1.42 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Fe6O2F10Th
_chemical_formula_sum "Fe6 O2 F10 Th1"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 3c438b64-8921-4938-8fc7-89ec41aeaba6 | mp-1521801 | Insert a Zr atom in the line between atoms at indices 7 and 6, and the inserted atom must be 1.24 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural CaPrZrFeO6
_chemical_formula_sum "Ca1 Pr1 Zr1 Fe1 O6"
_cell_length_a 5.71570775
_cell_length_b 5.71570775
_cell_length_c 5.715707749999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural CaPrZrFeO6Zr
_chemical_formula_sum "Ca1 Pr1 Zr2 Fe1 O6"
_cell_length_a 5.71570775
_cell_length_b 5.71570775
_cell_length_c 5.715707749999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 15cdb809-23b3-4a43-98ce-4f3ba6c95439 | mp-1110828 | Insert a Cs atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.48 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural K2NaTaF6Cs
_chemical_formula_sum "K2 Na1 Ta1 F6 Cs1"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | 936f4c5d-0345-4bdf-86f6-8e291be4e42a | mp-1193266 | Insert a Rg atom in the line between atoms at indices 5 and 11, and the inserted atom must be 0.48 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4Rg
_chemical_formula_sum "Al2 H16 C6 N2 Cl4 Rg1"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843... |
InsertBetweenAtomsAction | e1cbfa6c-a6e8-414f-90a2-9c41a8704e3c | mp-1181370 | Insert a Sm atom in the line between atoms at indices 12 and 10, and the inserted atom must be 9.22 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural K3LuB2P2O14
_chemical_formula_sum "K3 Lu1 B2 P2 O14"
_cell_length_a 13.03214535
_cell_length_b 13.032145350000002
_cell_length_c 13.03214554
_cell_angle_alpha 24.943610690000014
_cell_angle_beta 24.943610690000014
_cell_angle_gamma ... | data_image0
_chemical_formula_structural K3LuB2P2O14Sm
_chemical_formula_sum "K3 Lu1 B2 P2 O14 Sm1"
_cell_length_a 13.03214535
_cell_length_b 13.032145350000002
_cell_length_c 13.03214554
_cell_angle_alpha 24.943610690000014
_cell_angle_beta 24.943610690000014
_cell_angle_gam... |
InsertBetweenAtomsAction | 899c90eb-e324-47f9-b75e-6131a9182e3f | mp-674329 | Insert a Rh atom in the line between atoms at indices 3 and 13, and the inserted atom must be 5.16 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural La4Cd2Te8
_chemical_formula_sum "La4 Cd2 Te8"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_space_gr... | data_image0
_chemical_formula_structural La4Cd2Te8Rh
_chemical_formula_sum "La4 Cd2 Te8 Rh1"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_sp... |
InsertBetweenAtomsAction | 510fc36f-7ef9-4a84-83d5-2a19265fdb2c | mp-1196042 | Insert a Li atom in the line between atoms at indices 33 and 63, and the inserted atom must be 2.19 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12Li
_chemical_formula_sum "Na4 H36 Pt2 N12 F12 Li1"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613... |
InsertBetweenAtomsAction | cc39a5ad-d0c2-4604-bebc-cb4497c04ff1 | mp-1174239 | Insert a Pb atom in the line between atoms at indices 12 and 0, and the inserted atom must be 4.47 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8Co6O14Pb
_chemical_formula_sum "Li8 Co6 O14 Pb1"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_n... |
InsertBetweenAtomsAction | 2237c0c1-0d51-41b2-9725-d5aa4508e156 | mp-772833 | Insert a Ag atom in the line between atoms at indices 20 and 27, and the inserted atom must be 3.54 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Y8Hf4O20
_chemical_formula_sum "Y8 Hf4 O20"
_cell_length_a 3.744459
_cell_length_b 10.754683
_cell_length_c 11.629666
_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 Y8Hf4O20Ag
_chemical_formula_sum "Y8 Hf4 O20 Ag1"
_cell_length_a 3.744459
_cell_length_b 10.754683
_cell_length_c 11.629666
_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 | 3a51b4e2-6bfc-46df-8e65-7bfe08f22b79 | mp-600078 | Insert a Ho atom in the line between atoms at indices 40 and 39, and the inserted atom must be 11.60 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O36Ho
_chemical_formula_sum "Si18 O36 Ho1"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
... |
InsertBetweenAtomsAction | 33ee508c-9994-49f5-9502-a8e1902c865a | mp-1412166 | Insert a Ta atom in the line between atoms at indices 4 and 2, and the inserted atom must be 1.39 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li2CoNi3O8
_chemical_formula_sum "Li2 Co1 Ni3 O8"
_cell_length_a 5.626273
_cell_length_b 5.69161376
_cell_length_c 5.8720833599999995
_cell_angle_alpha 61.09426030000001
_cell_angle_beta 61.373563539999985
_cell_angle_gamma 61.52003... | data_image0
_chemical_formula_structural Li2CoNi3O8Ta
_chemical_formula_sum "Li2 Co1 Ni3 O8 Ta1"
_cell_length_a 5.626273
_cell_length_b 5.69161376
_cell_length_c 5.8720833599999995
_cell_angle_alpha 61.09426030000001
_cell_angle_beta 61.373563539999985
_cell_angle_gamma 61... |
InsertBetweenAtomsAction | 5ea4fd2a-5db3-497d-bd7f-e33c57178e83 | mp-1033806 | Insert a Sg atom in the line between atoms at indices 31 and 15, and the inserted atom must be 1.92 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_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 Mg14NbCO16Sg
_chemical_formula_sum "Mg14 Nb1 C1 O16 Sg1"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 57cc7f38-035e-4d3e-bfbe-4cfa7f32760a | mp-530449 | Insert a Po atom in the line between atoms at indices 30 and 69, and the inserted atom must be 6.39 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca21As14O56Po
_chemical_formula_sum "Ca21 As14 O56 Po1"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_g... |
InsertBetweenAtomsAction | 1c77d625-3588-4c71-84ab-4a8536854ad0 | mp-1105910 | Insert a S atom in the line between atoms at indices 8 and 4, and the inserted atom must be 1.18 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Pu2Zn17
_chemical_formula_sum "Pu2 Zn17"
_cell_length_a 6.73338651
_cell_length_b 6.730570040000001
_cell_length_c 6.7377318100000005
_cell_angle_alpha 82.71205549
_cell_angle_beta 82.65577715
_cell_angle_gamma 82.77235322
_space_g... | data_image0
_chemical_formula_structural Pu2Zn17S
_chemical_formula_sum "Pu2 Zn17 S1"
_cell_length_a 6.73338651
_cell_length_b 6.730570040000001
_cell_length_c 6.7377318100000005
_cell_angle_alpha 82.71205549
_cell_angle_beta 82.65577715
_cell_angle_gamma 82.77235322
_spa... |
InsertBetweenAtomsAction | b991d5e1-b12e-49b1-b40b-d8de3cba94c3 | mp-2230615 | Insert a Gd atom in the line between atoms at indices 13 and 1, and the inserted atom must be 3.10 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... | data_image0
_chemical_formula_structural MgCo5SnO12Gd
_chemical_formula_sum "Mg1 Co5 Sn1 O12 Gd1"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
... |
InsertBetweenAtomsAction | cc219d4b-8248-4a5b-8a17-7bc5b4fbe5d5 | mp-1033806 | Insert a Mn atom in the line between atoms at indices 10 and 30, and the inserted atom must be 1.08 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_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 Mg14NbCO16Mn
_chemical_formula_sum "Mg14 Nb1 C1 O16 Mn1"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 1851badb-8563-4d2f-bbd6-4d0d7e20118c | mp-1647971 | Insert a Tl atom in the line between atoms at indices 22 and 45, and the inserted atom must be 3.06 angstrom from atom at 22 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 Li2V2P8H8O28Tl
_chemical_formula_sum "Li2 V2 P8 H8 O28 Tl1"
_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 | b46fb664-623c-4fa7-8f37-84bd2f5eaba0 | mp-1177033 | Insert a Md atom in the line between atoms at indices 51 and 23, and the inserted atom must be 1.18 angstrom from atom at 51 in the cif file. | data_image0
_chemical_formula_structural Li12Mn6V2P12O48
_chemical_formula_sum "Li12 Mn6 V2 P12 O48"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
_space... | data_image0
_chemical_formula_structural Li12Mn6V2P12O48Md
_chemical_formula_sum "Li12 Mn6 V2 P12 O48 Md1"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
... |
InsertBetweenAtomsAction | ea8ebc2a-19f0-43aa-8f7e-72903a667d05 | mp-1218545 | Insert a Nb atom in the line between atoms at indices 18 and 7, and the inserted atom must be 0.22 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Sr4V2As4O18
_chemical_formula_sum "Sr4 V2 As4 O18"
_cell_length_a 9.10983086
_cell_length_b 9.10983086
_cell_length_c 7.01112922
_cell_angle_alpha 77.75906716
_cell_angle_beta 77.75906716
_cell_angle_gamma 130.5502388
_space_group_... | data_image0
_chemical_formula_structural Sr4V2As4O18Nb
_chemical_formula_sum "Sr4 V2 As4 O18 Nb1"
_cell_length_a 9.10983086
_cell_length_b 9.10983086
_cell_length_c 7.01112922
_cell_angle_alpha 77.75906716
_cell_angle_beta 77.75906716
_cell_angle_gamma 130.5502388
_space_... |
InsertBetweenAtomsAction | da09eeb8-17f7-4c46-b433-dd049383ca61 | mp-1099923 | Insert a Rf atom in the line between atoms at indices 27 and 28, and the inserted atom must be 1.27 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural La7SmMn8O24
_chemical_formula_sum "La7 Sm1 Mn8 O24"
_cell_length_a 7.874413
_cell_length_b 7.874413
_cell_length_c 7.874413
_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 La7SmMn8O24Rf
_chemical_formula_sum "La7 Sm1 Mn8 O24 Rf1"
_cell_length_a 7.874413
_cell_length_b 7.874413
_cell_length_c 7.874413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 976af1e1-fa61-430a-bed9-b5ca3ae0b11d | mp-686371 | Insert a P atom in the line between atoms at indices 16 and 78, and the inserted atom must be 8.68 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Na11La7Th2Ti20O60
_chemical_formula_sum "Na11 La7 Th2 Ti20 O60"
_cell_length_a 5.508181
_cell_length_b 5.50865732
_cell_length_c 38.84190001
_cell_angle_alpha 89.94154169000001
_cell_angle_beta 89.97806375
_cell_angle_gamma 89.79483... | data_image0
_chemical_formula_structural Na11La7Th2Ti20O60P
_chemical_formula_sum "Na11 La7 Th2 Ti20 O60 P1"
_cell_length_a 5.508181
_cell_length_b 5.50865732
_cell_length_c 38.84190001
_cell_angle_alpha 89.94154169000001
_cell_angle_beta 89.97806375
_cell_angle_gamma 89.7... |
InsertBetweenAtomsAction | daf82eef-0abd-4bcd-895c-772b763ecff7 | mp-2526683 | Insert a Ac atom in the line between atoms at indices 26 and 25, and the inserted atom must be 4.83 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21Ac
_chemical_formula_sum "W7 O21 Ac1"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_gr... |
InsertBetweenAtomsAction | 4a4d3685-3993-40ac-88a5-de63179106db | mp-557062 | Insert a At atom in the line between atoms at indices 25 and 3, and the inserted atom must be 2.95 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80979322
_cell_length_b 3.80979259
_cell_length_c 62.26826173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000055
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Zn20S20At
_chemical_formula_sum "Zn20 S20 At1"
_cell_length_a 3.80979322
_cell_length_b 3.80979259
_cell_length_c 62.26826173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000055
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 9a6f5235-26fb-4b86-9375-619b0fd3bd6c | mp-1175687 | Insert a Be atom in the line between atoms at indices 29 and 9, and the inserted atom must be 1.48 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.880813
_cell_length_b 5.917467279999999
_cell_length_c 8.0958311
_cell_angle_alpha 90.34971058
_cell_angle_beta 90.97825040999999
_cell_angle_gamma 92.67047589
_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Be
_chemical_formula_sum "Li9 Mn2 Co5 O16 Be1"
_cell_length_a 5.880813
_cell_length_b 5.917467279999999
_cell_length_c 8.0958311
_cell_angle_alpha 90.34971058
_cell_angle_beta 90.97825040999999
_cell_angle_gamma 92.67047... |
InsertBetweenAtomsAction | 84c49bdc-2786-4d69-8144-b85913bf0ece | mp-2218162 | Insert a Be atom in the line between atoms at indices 10 and 0, and the inserted atom must be 0.74 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... | data_image0
_chemical_formula_structural MgNbBi3O7Be
_chemical_formula_sum "Mg1 Nb1 Bi3 O7 Be1"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 6... |
InsertBetweenAtomsAction | 59ce37e0-2745-4e2e-b80b-cdbef2dc2891 | mp-782632 | Insert a Cm atom in the line between atoms at indices 8 and 24, and the inserted atom must be 4.85 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Ni8S16O64Cm
_chemical_formula_sum "Li8 Ni8 S16 O64 Cm1"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | b74fde42-b934-4176-89da-2fbde289d2e6 | mp-1046973 | Insert a Mn atom in the line between atoms at indices 25 and 20, and the inserted atom must be 4.04 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16Mn
_chemical_formula_sum "Nb4 Zn4 Ni2 O16 Mn1"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_spac... |
InsertBetweenAtomsAction | 7b9ec9aa-3b05-4ff6-85ca-d47ca2e6bb39 | mp-31279 | Insert a Se atom in the line between atoms at indices 46 and 30, and the inserted atom must be 4.13 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural Rb8P42I2
_chemical_formula_sum "Rb8 P42 I2"
_cell_length_a 12.96024821
_cell_length_b 12.960248209999998
_cell_length_c 9.86671281
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.32616321
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Rb8P42I2Se
_chemical_formula_sum "Rb8 P42 I2 Se1"
_cell_length_a 12.96024821
_cell_length_b 12.960248209999998
_cell_length_c 9.86671281
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.32616321
_space_group_name_... |
InsertBetweenAtomsAction | b62473ed-f867-4949-bcee-e67494e60db4 | mp-1516887 | Insert a Ru atom in the line between atoms at indices 2 and 0, and the inserted atom must be 2.42 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Eu2NiWO6Ru
_chemical_formula_sum "Eu2 Ni1 W1 O6 Ru1"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
InsertBetweenAtomsAction | 793e06ca-7c76-42dc-9a87-a113df957445 | mp-1208858 | Insert a Ba atom in the line between atoms at indices 18 and 14, and the inserted atom must be 1.83 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Sr4Dy2Bi2O12
_chemical_formula_sum "Sr4 Dy2 Bi2 O12"
_cell_length_a 5.93815296
_cell_length_b 6.100788
_cell_length_c 8.48832362
_cell_angle_alpha 90.0
_cell_angle_beta 89.94245077999999
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sr4Dy2Bi2O12Ba
_chemical_formula_sum "Sr4 Dy2 Bi2 O12 Ba1"
_cell_length_a 5.93815296
_cell_length_b 6.100788
_cell_length_c 8.48832362
_cell_angle_alpha 90.0
_cell_angle_beta 89.94245077999999
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | a3bcaca2-007f-4543-8976-094938afd4be | mp-780241 | Insert a Nh atom in the line between atoms at indices 20 and 8, and the inserted atom must be 2.07 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Na40Gd8O32
_chemical_formula_sum "Na40 Gd8 O32"
_cell_length_a 15.08398344
_cell_length_b 15.08398344
_cell_length_c 5.54635717
_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 Na40Gd8O32Nh
_chemical_formula_sum "Na40 Gd8 O32 Nh1"
_cell_length_a 15.08398344
_cell_length_b 15.08398344
_cell_length_c 5.54635717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | c91a294b-9a09-414b-b49a-fee3b678a2cd | mp-1213837 | Insert a Sg atom in the line between atoms at indices 16 and 0, and the inserted atom must be 1.35 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ce2Hf2F14Sg
_chemical_formula_sum "Ce2 Hf2 F14 Sg1"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 76ebca5c-e999-4c85-a19b-5d9e9ac41442 | mp-1189474 | Insert a Mg atom in the line between atoms at indices 15 and 0, and the inserted atom must be 2.97 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Y14Rh6
_chemical_formula_sum "Y14 Rh6"
_cell_length_a 6.23865115
_cell_length_b 9.8140486
_cell_length_c 9.81488008
_cell_angle_alpha 120.00045369999998
_cell_angle_beta 90.00033233
_cell_angle_gamma 90.00091931000001
_space_group_... | data_image0
_chemical_formula_structural Y14Rh6Mg
_chemical_formula_sum "Y14 Rh6 Mg1"
_cell_length_a 6.23865115
_cell_length_b 9.8140486
_cell_length_c 9.81488008
_cell_angle_alpha 120.00045369999998
_cell_angle_beta 90.00033233
_cell_angle_gamma 90.00091931000001
_space_... |
InsertBetweenAtomsAction | 2d247d3f-4c0a-4d18-ad58-17df5926b771 | mp-1196849 | Insert a I atom in the line between atoms at indices 7 and 30, and the inserted atom must be 3.00 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Fe6W20C6
_chemical_formula_sum "Fe6 W20 C6"
_cell_length_a 7.91346189
_cell_length_b 7.91346189
_cell_length_c 8.059961
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Fe6W20C6I
_chemical_formula_sum "Fe6 W20 C6 I1"
_cell_length_a 7.91346189
_cell_length_b 7.91346189
_cell_length_c 8.059961
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909999998
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | f7af6d79-ff6b-441b-b215-197b3439e6c7 | mp-15804 | Insert a Ni atom in the line between atoms at indices 12 and 9, and the inserted atom must be 2.12 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Yb4Mg2Se8
_chemical_formula_sum "Yb4 Mg2 Se8"
_cell_length_a 8.10794335
_cell_length_b 8.10794335
_cell_length_c 8.10794335
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Yb4Mg2Se8Ni
_chemical_formula_sum "Yb4 Mg2 Se8 Ni1"
_cell_length_a 8.10794335
_cell_length_b 8.10794335
_cell_length_c 8.10794335
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | 028fda6f-12d9-49e4-b694-83e7547607e5 | mp-756828 | Insert a P atom in the line between atoms at indices 0 and 17, and the inserted atom must be 0.83 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.730811
_cell_length_b 5.72699204
_cell_length_c 7.87890331
_cell_angle_alpha 86.53429477
_cell_angle_beta 88.82132843999999
_cell_angle_gamma 88.81586131
_space_group_name_... | data_image0
_chemical_formula_structural Mn6O5F7P
_chemical_formula_sum "Mn6 O5 F7 P1"
_cell_length_a 4.730811
_cell_length_b 5.72699204
_cell_length_c 7.87890331
_cell_angle_alpha 86.53429477
_cell_angle_beta 88.82132843999999
_cell_angle_gamma 88.81586131
_space_group_n... |
InsertBetweenAtomsAction | e372d910-d120-499b-a4f9-59c1b62c2dbf | mp-23792 | Insert a Mn atom in the line between atoms at indices 1 and 20, and the inserted atom must be 4.25 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18Mn
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18 Mn1"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999... |
InsertBetweenAtomsAction | 9406d558-2831-4aed-8d41-435eb97af37d | mp-757379 | Insert a Ac atom in the line between atoms at indices 43 and 19, and the inserted atom must be 11.78 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural La9Mn9O30
_chemical_formula_sum "La9 Mn9 O30"
_cell_length_a 5.45732526
_cell_length_b 5.45531387
_cell_length_c 22.8585127
_cell_angle_alpha 96.96690671
_cell_angle_beta 89.49606072000002
_cell_angle_gamma 61.132153529999975
_spac... | data_image0
_chemical_formula_structural La9Mn9O30Ac
_chemical_formula_sum "La9 Mn9 O30 Ac1"
_cell_length_a 5.45732526
_cell_length_b 5.45531387
_cell_length_c 22.8585127
_cell_angle_alpha 96.96690671
_cell_angle_beta 89.49606072000002
_cell_angle_gamma 61.132153529999975
... |
InsertBetweenAtomsAction | a624e77e-3346-4c3e-8f63-47547deb5a6d | mp-1290409 | Insert a Ra atom in the line between atoms at indices 8 and 18, and the inserted atom must be 3.16 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
_spac... | data_image0
_chemical_formula_structural Li8Mn6Sb2O16Ra
_chemical_formula_sum "Li8 Mn6 Sb2 O16 Ra1"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
... |
InsertBetweenAtomsAction | 6703d6ee-9857-4397-91b4-9ec6d888ad46 | mp-770417 | Insert a H atom in the line between atoms at indices 23 and 15, and the inserted atom must be 2.30 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24H
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24 H1"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.47... |
InsertBetweenAtomsAction | 7ea47067-d8fb-4308-80af-1627ee417a05 | mp-1074681 | Insert a No atom in the line between atoms at indices 6 and 8, and the inserted atom must be 3.25 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... | data_image0
_chemical_formula_structural Mg8Si4No
_chemical_formula_sum "Mg8 Si4 No1"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_grou... |
InsertBetweenAtomsAction | 90e4caf3-4e56-49ba-84e6-55696e377a27 | mp-1175691 | Insert a Ru atom in the line between atoms at indices 6 and 9, and the inserted atom must be 4.45 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Ru
_chemical_formula_sum "Li9 Mn2 Co5 O16 Ru1"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.3025... |
InsertBetweenAtomsAction | db8ee439-b63e-4e49-93f4-d7921ba126e6 | mp-755078 | Insert a Br atom in the line between atoms at indices 5 and 8, and the inserted atom must be 6.69 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... | data_image0
_chemical_formula_structural Sr2Ti6N2O11Br
_chemical_formula_sum "Sr2 Ti6 N2 O11 Br1"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.5874521999... |
InsertBetweenAtomsAction | c05e7be9-9638-465e-96d4-a14d67f5fba0 | mp-1214285 | Insert a Fe atom in the line between atoms at indices 39 and 34, and the inserted atom must be 5.08 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_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 Be8Si8Ag16O32Fe
_chemical_formula_sum "Be8 Si8 Ag16 O32 Fe1"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 5a36e611-5d25-4bdb-983d-46861db6eb56 | mp-754319 | Insert a Sb atom in the line between atoms at indices 12 and 9, and the inserted atom must be 1.64 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3NbNi4O8Sb
_chemical_formula_sum "Li3 Nb1 Ni4 O8 Sb1"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838... |
InsertBetweenAtomsAction | 9771176e-f04c-4f40-8fab-03ad421b2202 | mp-531566 | Insert a Kr atom in the line between atoms at indices 25 and 29, and the inserted atom must be 1.79 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn14O48Kr
_chemical_formula_sum "La16 Mn14 O48 Kr1"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
... |
InsertBetweenAtomsAction | 1dec7b63-8018-47bc-8383-b1152ef9e532 | mp-30215 | Insert a Co atom in the line between atoms at indices 32 and 20, and the inserted atom must be 1.00 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Pr12Mo4O28
_chemical_formula_sum "Pr12 Mo4 O28"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_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 Pr12Mo4O28Co
_chemical_formula_sum "Pr12 Mo4 O28 Co1"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 68f75eb1-3d55-4e8a-a3ea-8b6ad0fee2e8 | mp-1213761 | Insert a Lr atom in the line between atoms at indices 26 and 17, and the inserted atom must be 2.24 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_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 Cr4Ni8B4O20Lr
_chemical_formula_sum "Cr4 Ni8 B4 O20 Lr1"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 89de5b52-d860-44ff-8543-a6c28922c4b3 | mp-1079648 | Insert a Co atom in the line between atoms at indices 9 and 8, and the inserted atom must be 0.83 angstrom from atom at 9 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 U2Ge4Rh4Co
_chemical_formula_sum "U2 Ge4 Rh4 Co1"
_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 | 8aede68f-009c-417e-b7b5-84ec86d889e9 | mp-1029069 | Insert a I atom in the line between atoms at indices 1 and 6, and the inserted atom must be 0.95 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mo2W2Se4S4
_chemical_formula_sum "Mo2 W2 Se4 S4"
_cell_length_a 3.25397747
_cell_length_b 3.25397747
_cell_length_c 36.880291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998924
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mo2W2Se4S4I
_chemical_formula_sum "Mo2 W2 Se4 S4 I1"
_cell_length_a 3.25397747
_cell_length_b 3.25397747
_cell_length_c 36.880291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998924
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 901e8f51-8363-4268-aa01-66b2417b430f | mp-1516907 | Insert a Hg atom in the line between atoms at indices 9 and 2, and the inserted atom must be 3.05 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural KEuBiSbO6
_chemical_formula_sum "K1 Eu1 Bi1 Sb1 O6"
_cell_length_a 5.96919744
_cell_length_b 5.96919744
_cell_length_c 5.96919744
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.0000000000... | data_image0
_chemical_formula_structural KEuBiSbO6Hg
_chemical_formula_sum "K1 Eu1 Bi1 Sb1 O6 Hg1"
_cell_length_a 5.96919744
_cell_length_b 5.96919744
_cell_length_c 5.96919744
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.0000... |
InsertBetweenAtomsAction | 64b95b92-869e-4f37-b55c-23ff69420507 | mp-504385 | Insert a Tl atom in the line between atoms at indices 18 and 38, and the inserted atom must be 1.16 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48Tl
_chemical_formula_sum "Li12 Fe8 P12 O48 Tl1"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 38de1894-e4d0-461b-bbc2-0cec00979363 | mp-778828 | Insert a Bk atom in the line between atoms at indices 3 and 8, and the inserted atom must be 1.49 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.54121602
_cell_length_b 4.541216020000001
_cell_length_c 9.00405169
_cell_angle_alpha 89.64699227000001
_cell_angle_beta 89.64699227000001
_cell_angle_gamma 88.25421871
_... | data_image0
_chemical_formula_structural Mn6O10F2Bk
_chemical_formula_sum "Mn6 O10 F2 Bk1"
_cell_length_a 4.54121602
_cell_length_b 4.541216020000001
_cell_length_c 9.00405169
_cell_angle_alpha 89.64699227000001
_cell_angle_beta 89.64699227000001
_cell_angle_gamma 88.25421... |
InsertBetweenAtomsAction | de81f386-f758-4cda-be63-b6914297dd87 | mp-1228941 | Insert a F atom in the line between atoms at indices 1 and 18, and the inserted atom must be 3.57 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Al2Si6Ag2O16
_chemical_formula_sum "Al2 Si6 Ag2 O16"
_cell_length_a 7.279589
_cell_length_b 7.86335384
_cell_length_c 7.561559770000001
_cell_angle_alpha 115.16573898000001
_cell_angle_beta 100.59955147
_cell_angle_gamma 106.7870782... | data_image0
_chemical_formula_structural Al2Si6Ag2O16F
_chemical_formula_sum "Al2 Si6 Ag2 O16 F1"
_cell_length_a 7.279589
_cell_length_b 7.86335384
_cell_length_c 7.561559770000001
_cell_angle_alpha 115.16573898000001
_cell_angle_beta 100.59955147
_cell_angle_gamma 106.787... |
InsertBetweenAtomsAction | 82c0f75d-984d-4259-883d-a7b829c68915 | mp-753838 | Insert a Gd atom in the line between atoms at indices 25 and 3, and the inserted atom must be 4.10 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni4O14
_chemical_formula_sum "Li4 Si4 Ni4 O14"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_group_n... | data_image0
_chemical_formula_structural Li4Si4Ni4O14Gd
_chemical_formula_sum "Li4 Si4 Ni4 O14 Gd1"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_g... |
InsertBetweenAtomsAction | 551a44c2-bfd3-4bf9-aeaf-de02cf30fdd0 | mp-1120783 | Insert a Cl atom in the line between atoms at indices 37 and 58, and the inserted atom must be 1.21 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C30Cl
_chemical_formula_sum "Al30 C30 Cl1"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 70b45e64-b698-41fc-805e-2c548d8d2fd5 | mp-720430 | Insert a Ho atom in the line between atoms at indices 2 and 19, and the inserted atom must be 3.62 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... | data_image0
_chemical_formula_structural Ca2B6H14O18Ho
_chemical_formula_sum "Ca2 B6 H14 O18 Ho1"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_sp... |
InsertBetweenAtomsAction | 69dd0944-d43f-4441-a8c6-9a8801e4bc10 | mp-850538 | Insert a Cl atom in the line between atoms at indices 6 and 22, and the inserted atom must be 0.91 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60.15158... | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24Cl
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24 Cl1"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60... |
InsertBetweenAtomsAction | 1e924236-0aee-437e-a3f8-f9898ee6916d | mp-1212478 | Insert a Li atom in the line between atoms at indices 8 and 1, and the inserted atom must be 1.40 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural H12O8
_chemical_formula_sum "H12 O8"
_cell_length_a 4.34938881
_cell_length_b 6.333513859999999
_cell_length_c 6.33351386
_cell_angle_alpha 92.43761333
_cell_angle_beta 108.83358404
_cell_angle_gamma 108.83358404
_space_group_name_... | data_image0
_chemical_formula_structural H12O8Li
_chemical_formula_sum "H12 O8 Li1"
_cell_length_a 4.34938881
_cell_length_b 6.333513859999999
_cell_length_c 6.33351386
_cell_angle_alpha 92.43761333
_cell_angle_beta 108.83358404
_cell_angle_gamma 108.83358404
_space_group... |
InsertBetweenAtomsAction | 4a283a74-45af-4f47-b029-26c392bc12a2 | mp-849612 | Insert a Ag atom in the line between atoms at indices 27 and 17, and the inserted atom must be 0.88 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li2Fe8B8O24
_chemical_formula_sum "Li2 Fe8 B8 O24"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702683000... | data_image0
_chemical_formula_structural Li2Fe8B8O24Ag
_chemical_formula_sum "Li2 Fe8 B8 O24 Ag1"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702... |
InsertBetweenAtomsAction | 1fb3ed3c-8d0a-4884-b299-efdcf8cda9ae | mp-1239141 | Insert a Db atom in the line between atoms at indices 10 and 11, and the inserted atom must be 0.95 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16Db
_chemical_formula_sum "Ta2 Cr6 Cu4 S16 Db1"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 1a5045ba-bb5c-439e-aaeb-160c79b9424a | mp-1193190 | Insert a U atom in the line between atoms at indices 0 and 25, and the inserted atom must be 4.28 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18U
_chemical_formula_sum "K4 Cr6 O18 U1"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | e2f60045-bbd2-42c6-bca4-c1ee6be7d203 | mp-12885 | Insert a Dy atom in the line between atoms at indices 10 and 8, and the inserted atom must be 7.53 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... | data_image0
_chemical_formula_structural BaAl2Sb2O7Dy
_chemical_formula_sum "Ba1 Al2 Sb2 O7 Dy1"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 3... |
InsertBetweenAtomsAction | e89c5667-c445-4a8e-9c1d-172d8eb53183 | mp-1073523 | Insert a Nh atom in the line between atoms at indices 6 and 0, and the inserted atom must be 2.14 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 3.794989
_cell_length_b 6.05673
_cell_length_c 10.43074686
_cell_angle_alpha 77.46139383
_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 Mg4Si8Nh
_chemical_formula_sum "Mg4 Si8 Nh1"
_cell_length_a 3.794989
_cell_length_b 6.05673
_cell_length_c 10.43074686
_cell_angle_alpha 77.46139383
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 5ff0a9d7-c678-4b78-8159-3c21f992987a | mp-1518567 | Insert a Li atom in the line between atoms at indices 21 and 1, and the inserted atom must be 2.16 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Sr4Tb4Eu4W4O24
_chemical_formula_sum "Sr4 Tb4 Eu4 W4 O24"
_cell_length_a 8.33102937
_cell_length_b 8.4305669
_cell_length_c 8.39115779
_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 Sr4Tb4Eu4W4O24Li
_chemical_formula_sum "Sr4 Tb4 Eu4 W4 O24 Li1"
_cell_length_a 8.33102937
_cell_length_b 8.4305669
_cell_length_c 8.39115779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 5dfeb538-58ce-4cfc-b3b7-be5313dd3793 | mp-755794 | Insert a Hs atom in the line between atoms at indices 0 and 6, and the inserted atom must be 0.73 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Rb6Lu2O6
_chemical_formula_sum "Rb6 Lu2 O6"
_cell_length_a 7.14217626
_cell_length_b 7.14217626
_cell_length_c 7.11319529
_cell_angle_alpha 84.73786824
_cell_angle_beta 84.73786824
_cell_angle_gamma 115.62216469
_space_group_name_H... | data_image0
_chemical_formula_structural Rb6Lu2O6Hs
_chemical_formula_sum "Rb6 Lu2 O6 Hs1"
_cell_length_a 7.14217626
_cell_length_b 7.14217626
_cell_length_c 7.11319529
_cell_angle_alpha 84.73786824
_cell_angle_beta 84.73786824
_cell_angle_gamma 115.62216469
_space_group_... |
InsertBetweenAtomsAction | 5b24a568-e4f0-4e41-b95e-5adea0fd9700 | mp-1176342 | Insert a Bi atom in the line between atoms at indices 19 and 0, and the inserted atom must be 3.39 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na6V6O16Bi
_chemical_formula_sum "Na6 V6 O16 Bi1"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_nam... |
InsertBetweenAtomsAction | 2256470b-8b2e-4dbc-bacb-18e7a88d36aa | mp-695906 | Insert a Mt atom in the line between atoms at indices 26 and 67, and the inserted atom must be 2.21 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Rb4Sm4H32S8O48
_chemical_formula_sum "Rb4 Sm4 H32 S8 O48"
_cell_length_a 19.144285
_cell_length_b 6.707746
_cell_length_c 8.65922892
_cell_angle_alpha 84.18823872
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb4Sm4H32S8O48Mt
_chemical_formula_sum "Rb4 Sm4 H32 S8 O48 Mt1"
_cell_length_a 19.144285
_cell_length_b 6.707746
_cell_length_c 8.65922892
_cell_angle_alpha 84.18823872
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 53019506-fd7c-4fca-a9ed-25d513de1f24 | mp-18292 | Insert a Cd atom in the line between atoms at indices 0 and 13, and the inserted atom must be 1.19 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La8Mn2S12O2Cd
_chemical_formula_sum "La8 Mn2 S12 O2 Cd1"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_... |
InsertBetweenAtomsAction | d7700034-3cb2-4557-8a83-b316c46acf2a | mp-1218391 | Insert a F atom in the line between atoms at indices 17 and 4, and the inserted atom must be 3.05 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Sr2Ca2Ti2Mn2O12
_chemical_formula_sum "Sr2 Ca2 Ti2 Mn2 O12"
_cell_length_a 5.453876
_cell_length_b 5.46815873
_cell_length_c 7.70356346
_cell_angle_alpha 90.04949166000002
_cell_angle_beta 89.99945912
_cell_angle_gamma 89.99989522
... | data_image0
_chemical_formula_structural Sr2Ca2Ti2Mn2O12F
_chemical_formula_sum "Sr2 Ca2 Ti2 Mn2 O12 F1"
_cell_length_a 5.453876
_cell_length_b 5.46815873
_cell_length_c 7.70356346
_cell_angle_alpha 90.04949166000002
_cell_angle_beta 89.99945912
_cell_angle_gamma 89.999895... |
InsertBetweenAtomsAction | e38ffcf8-05fc-4ec2-8d54-f14e840ef494 | mp-1204213 | Insert a As atom in the line between atoms at indices 13 and 70, and the inserted atom must be 2.30 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S14O60As
_chemical_formula_sum "Tb4 Nb4 S14 O60 As1"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | b33651f4-ff88-4b92-b05a-df25093c509c | mp-22071 | Insert a Sn atom in the line between atoms at indices 0 and 15, and the inserted atom must be 2.35 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Sb8O16
_chemical_formula_sum "Sb8 O16"
_cell_length_a 7.44343731
_cell_length_b 7.44343731
_cell_length_c 7.44343731
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Sb8O16Sn
_chemical_formula_sum "Sb8 O16 Sn1"
_cell_length_a 7.44343731
_cell_length_b 7.44343731
_cell_length_c 7.44343731
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
InsertBetweenAtomsAction | 47fa958f-1053-4188-b1d2-59fb1e0b783e | mp-979041 | Insert a Md atom in the line between atoms at indices 2 and 3, and the inserted atom must be 2.51 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Tm2Al6C6
_chemical_formula_sum "Tm2 Al6 C6"
_cell_length_a 3.39557985
_cell_length_b 3.39557967
_cell_length_c 17.11257072
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000185
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Tm2Al6C6Md
_chemical_formula_sum "Tm2 Al6 C6 Md1"
_cell_length_a 3.39557985
_cell_length_b 3.39557967
_cell_length_c 17.11257072
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000185
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3fac9420-d2f3-429a-aae4-34c27b728c1c | mp-1194067 | Insert a Lr atom in the line between atoms at indices 21 and 25, and the inserted atom must be 1.98 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2Lr
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2 Lr1"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group... |
InsertBetweenAtomsAction | 19aa33a2-4436-46b4-b1e8-5789f72a51fd | mp-1111088 | Insert a Mc atom in the line between atoms at indices 4 and 8, and the inserted atom must be 2.86 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF6Mc
_chemical_formula_sum "Na2 Al1 Au1 F6 Mc1"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | e350fa54-8826-4583-95e4-19a93d192c5e | mp-1105449 | Insert a Bh atom in the line between atoms at indices 15 and 3, and the inserted atom must be 3.28 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12Bh
_chemical_formula_sum "Sm2 Tl2 P4 Se12 Bh1"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | b94b5df3-b069-470c-9409-288a5e821e1f | mp-2749603 | Insert a Ra atom in the line between atoms at indices 3 and 4, and the inserted atom must be 3.22 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 6.82112342
_cell_length_b 7.56358558
_cell_length_c 11.29010398
_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 Rb8Eu4F20Ra
_chemical_formula_sum "Rb8 Eu4 F20 Ra1"
_cell_length_a 6.82112342
_cell_length_b 7.56358558
_cell_length_c 11.29010398
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 0b443bc4-4f93-4bfd-b147-196f185f61ed | mp-568761 | Insert a Hg atom in the line between atoms at indices 7 and 26, and the inserted atom must be 0.90 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ag16Te16
_chemical_formula_sum "Ag16 Te16"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_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 Ag16Te16Hg
_chemical_formula_sum "Ag16 Te16 Hg1"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 0a096fcd-13fc-4844-8097-386f9b65ec5b | mp-1228061 | Insert a Co atom in the line between atoms at indices 11 and 1, and the inserted atom must be 7.00 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba4Cu2IBrO4Co
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4 Co1"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | df3b7246-c69b-4bd6-bfc3-a1c0766a710d | mp-1376216 | Insert a Co atom in the line between atoms at indices 0 and 16, and the inserted atom must be 1.10 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg4V8O16Co
_chemical_formula_sum "Mg4 V8 O16 Co1"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 | 1732f78c-4f2a-4f29-ab11-2bfcce9ab78f | mp-1213188 | Insert a Al atom in the line between atoms at indices 11 and 0, and the inserted atom must be 0.45 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Cu2AgHS2O10
_chemical_formula_sum "Cu2 Ag1 H1 S2 O10"
_cell_length_a 5.32762167
_cell_length_b 5.32762167
_cell_length_c 8.06640392
_cell_angle_alpha 65.8263376
_cell_angle_beta 65.8263376
_cell_angle_gamma 70.17280704
_space_group... | data_image0
_chemical_formula_structural Cu2AgHS2O10Al
_chemical_formula_sum "Cu2 Ag1 H1 S2 O10 Al1"
_cell_length_a 5.32762167
_cell_length_b 5.32762167
_cell_length_c 8.06640392
_cell_angle_alpha 65.8263376
_cell_angle_beta 65.8263376
_cell_angle_gamma 70.17280704
_space... |
InsertBetweenAtomsAction | 32d68790-bb3b-4767-9c0a-fa2a9683ccd1 | mp-674343 | Insert a Mc atom in the line between atoms at indices 31 and 11, and the inserted atom must be 15.90 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... | data_image0
_chemical_formula_structural Ti10Cu7S20Mc
_chemical_formula_sum "Ti10 Cu7 S20 Mc1"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.... |
InsertBetweenAtomsAction | 30ffaf8e-d2ee-45cc-abf0-3e10f500986e | mp-740718 | Insert a Db atom in the line between atoms at indices 48 and 14, and the inserted atom must be 5.80 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24Db
_chemical_formula_sum "Al8 H48 N16 Cl24 Db1"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | fff1a12b-2aba-43f5-8304-d26a3fa635d6 | mp-1194795 | Insert a Bi atom in the line between atoms at indices 80 and 68, and the inserted atom must be 5.64 angstrom from atom at 80 in the cif file. | data_image0
_chemical_formula_structural Ba28Ge4B12Br4O52
_chemical_formula_sum "Ba28 Ge4 B12 Br4 O52"
_cell_length_a 7.56704942
_cell_length_b 11.3320778
_cell_length_c 20.66018911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba28Ge4B12Br4O52Bi
_chemical_formula_sum "Ba28 Ge4 B12 Br4 O52 Bi1"
_cell_length_a 7.56704942
_cell_length_b 11.3320778
_cell_length_c 20.66018911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | a0a2e15d-29eb-47e2-b150-c1d297959684 | mp-1349418 | Insert a Pd atom in the line between atoms at indices 35 and 17, and the inserted atom must be 2.49 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 Mg4Mo12O28Pd
_chemical_formula_sum "Mg4 Mo12 O28 Pd1"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | fd95e8c8-24e7-42b3-a18c-ca49ee2f7bdc | mp-629560 | Insert a At atom in the line between atoms at indices 31 and 0, and the inserted atom must be 1.76 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Fe6C18Se4O18
_chemical_formula_sum "Fe6 C18 Se4 O18"
_cell_length_a 6.83787
_cell_length_b 9.24919726
_cell_length_c 13.13652296
_cell_angle_alpha 94.02188344
_cell_angle_beta 94.43545899
_cell_angle_gamma 111.00583358
_space_group... | data_image0
_chemical_formula_structural Fe6C18Se4O18At
_chemical_formula_sum "Fe6 C18 Se4 O18 At1"
_cell_length_a 6.83787
_cell_length_b 9.24919726
_cell_length_c 13.13652296
_cell_angle_alpha 94.02188344
_cell_angle_beta 94.43545899
_cell_angle_gamma 111.00583358
_space... |
InsertBetweenAtomsAction | 41f877da-ae3c-4de4-ab9a-e8928d6d113d | mp-1214888 | Insert a Mc atom in the line between atoms at indices 24 and 7, and the inserted atom must be 2.64 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O12Mc
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12 Mc1"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_grou... |
InsertBetweenAtomsAction | f8c1b0a0-54ff-4c2e-aeba-62df0b3fb0d1 | mp-9619 | Insert a Sm atom in the line between atoms at indices 11 and 12, and the inserted atom must be 2.91 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12Sm
_chemical_formula_sum "Th1 Fe4 P12 Sm1"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_gro... |
InsertBetweenAtomsAction | cfb573d1-fb6a-49ff-955b-6b6ddbe8349c | mp-1074916 | Insert a Bk atom in the line between atoms at indices 1 and 8, and the inserted atom must be 2.66 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg14Si8
_chemical_formula_sum "Mg14 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space_group... | data_image0
_chemical_formula_structural Mg14Si8Bk
_chemical_formula_sum "Mg14 Si8 Bk1"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space... |
InsertBetweenAtomsAction | 83383aa9-5480-4b80-adf9-2a66842afcfa | mp-1217186 | Insert a Ge atom in the line between atoms at indices 7 and 8, and the inserted atom must be 1.36 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12Ge
_chemical_formula_sum "Ti3 Sn5 S12 Ge1"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f08367fd-a350-4d31-b042-36cb65948da1 | mp-1197379 | Insert a Zr atom in the line between atoms at indices 21 and 3, and the inserted atom must be 6.14 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... | data_image0
_chemical_formula_structural Y2N6O28Zr
_chemical_formula_sum "Y2 N6 O28 Zr1"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_... |
InsertBetweenAtomsAction | 0ce888cb-ffb6-43cb-8f17-1ca7ea8e300f | mp-699431 | Insert a K atom in the line between atoms at indices 25 and 5, and the inserted atom must be 2.31 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16K
_chemical_formula_sum "Al2 H8 Se4 O16 K1"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
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