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 | e6830286-e53f-49b8-a544-ffed1ef32b62 | mp-774323 | Insert a Rg atom in the line between atoms at indices 28 and 8, and the inserted atom must be 1.28 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Li4MnV3P8O28
_chemical_formula_sum "Li4 Mn1 V3 P8 O28"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.11758347999998
_spa... | data_image0
_chemical_formula_structural Li4MnV3P8O28Rg
_chemical_formula_sum "Li4 Mn1 V3 P8 O28 Rg1"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.11758347999998... |
InsertBetweenAtomsAction | 89bf506f-c53b-4d54-8c4e-66d706c41c20 | mp-1238912 | Insert a Og atom in the line between atoms at indices 2 and 5, and the inserted atom must be 1.63 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Zr3CoF6
_chemical_formula_sum "Zr3 Co1 F6"
_cell_length_a 6.99722318
_cell_length_b 5.2410949
_cell_length_c 11.21304371
_cell_angle_alpha 100.66629732
_cell_angle_beta 121.83991844
_cell_angle_gamma 130.9559842
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CoF6Og
_chemical_formula_sum "Zr3 Co1 F6 Og1"
_cell_length_a 6.99722318
_cell_length_b 5.2410949
_cell_length_c 11.21304371
_cell_angle_alpha 100.66629732
_cell_angle_beta 121.83991844
_cell_angle_gamma 130.9559842
_space_group_... |
InsertBetweenAtomsAction | 28b7750f-16b1-4f07-ad5b-2f9451bd4a75 | mp-1045008 | Insert a V atom in the line between atoms at indices 12 and 1, and the inserted atom must be 1.31 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 Ba2AlW3O7V
_chemical_formula_sum "Ba2 Al1 W3 O7 V1"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 | a9ae8eab-beda-4ea9-82f3-91d07857569c | mp-760233 | Insert a Sr atom in the line between atoms at indices 1 and 28, and the inserted atom must be 1.16 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mn2CrNi3P6O24
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837645
_... | data_image0
_chemical_formula_structural Mn2CrNi3P6O24Sr
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24 Sr1"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837... |
InsertBetweenAtomsAction | 07414aa7-b02a-4854-be80-0bf30f95d2c9 | mp-1181218 | Insert a Ne atom in the line between atoms at indices 28 and 21, and the inserted atom must be 2.59 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Mn10Si10O30
_chemical_formula_sum "Mn10 Si10 O30"
_cell_length_a 5.97153001
_cell_length_b 8.86198514
_cell_length_c 13.087677069999998
_cell_angle_alpha 112.81467957
_cell_angle_beta 90.94879757999999
_cell_angle_gamma 90.32204255
... | data_image0
_chemical_formula_structural Mn10Si10O30Ne
_chemical_formula_sum "Mn10 Si10 O30 Ne1"
_cell_length_a 5.97153001
_cell_length_b 8.86198514
_cell_length_c 13.087677069999998
_cell_angle_alpha 112.81467957
_cell_angle_beta 90.94879757999999
_cell_angle_gamma 90.322... |
InsertBetweenAtomsAction | eb0c8bba-64d3-43c1-bc35-444beef61dc7 | mp-767746 | Insert a Sb atom in the line between atoms at indices 27 and 30, and the inserted atom must be 3.84 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... | data_image0
_chemical_formula_structural Li12Mn2Fe3O16Sb
_chemical_formula_sum "Li12 Mn2 Fe3 O16 Sb1"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581... |
InsertBetweenAtomsAction | 009b0451-4fa0-488b-9ffb-bf4f023cd3db | mp-2715422 | Insert a Mo atom in the line between atoms at indices 15 and 75, and the inserted atom must be 1.13 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48Mo
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48 Mo1"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567... |
InsertBetweenAtomsAction | a0949edf-53d5-4c61-8778-89f6b8e18109 | mp-12109 | Insert a Lr atom in the line between atoms at indices 6 and 10, and the inserted atom must be 2.84 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Zr4Re8
_chemical_formula_sum "Zr4 Re8"
_cell_length_a 5.28464166
_cell_length_b 5.28464215
_cell_length_c 8.65682963
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000331
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zr4Re8Lr
_chemical_formula_sum "Zr4 Re8 Lr1"
_cell_length_a 5.28464166
_cell_length_b 5.28464215
_cell_length_c 8.65682963
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000331
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 298aa4bb-6aff-49f3-a41c-9bfa80302730 | mp-758218 | Insert a P atom in the line between atoms at indices 29 and 24, and the inserted atom must be 4.54 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Ti4P8O28P
_chemical_formula_sum "Li4 Ti4 P9 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2d33bce9-6281-4572-a40d-f58b4252d6fc | mp-1520271 | Insert a Kr atom in the line between atoms at indices 6 and 5, and the inserted atom must be 1.17 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural BaNdEuBiO6
_chemical_formula_sum "Ba1 Nd1 Eu1 Bi1 O6"
_cell_length_a 6.23844538
_cell_length_b 6.23844538
_cell_length_c 6.23844538
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural BaNdEuBiO6Kr
_chemical_formula_sum "Ba1 Nd1 Eu1 Bi1 O6 Kr1"
_cell_length_a 6.23844538
_cell_length_b 6.23844538
_cell_length_c 6.23844538
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... |
InsertBetweenAtomsAction | c59a95fe-5c67-402c-9c83-f86501709728 | mp-1203577 | Insert a Ts atom in the line between atoms at indices 61 and 40, and the inserted atom must be 8.53 angstrom from atom at 61 in the cif file. | data_image0
_chemical_formula_structural U4C8Se8N8O44
_chemical_formula_sum "U4 C8 Se8 N8 O44"
_cell_length_a 8.69981
_cell_length_b 7.897119
_cell_length_c 23.5070027
_cell_angle_alpha 90.0
_cell_angle_beta 108.34456124
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4C8Se8N8O44Ts
_chemical_formula_sum "U4 C8 Se8 N8 O44 Ts1"
_cell_length_a 8.69981
_cell_length_b 7.897119
_cell_length_c 23.5070027
_cell_angle_alpha 90.0
_cell_angle_beta 108.34456124
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | a57e0004-ecfe-426a-8418-58ab24d74804 | mp-2228450 | Insert a Ho atom in the line between atoms at indices 6 and 11, and the inserted atom must be 0.52 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O8Ho
_chemical_formula_sum "Mg1 Mn3 Cd2 O8 Ho1"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.5243589000... |
InsertBetweenAtomsAction | 5e3e66ef-d529-4670-91b2-2ab82816ccdc | mp-1104064 | Insert a Bh atom in the line between atoms at indices 0 and 6, and the inserted atom must be 1.03 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Zn2H2I2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_... | data_image0
_chemical_formula_structural Zn2H2I2O8Bh
_chemical_formula_sum "Zn2 H2 I2 O8 Bh1"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_... |
InsertBetweenAtomsAction | 72963171-6beb-4d74-8da1-7926721861a7 | mp-666156 | Insert a Cs atom in the line between atoms at indices 26 and 20, and the inserted atom must be 2.62 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Na4Te8O18
_chemical_formula_sum "Na4 Te8 O18"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_space_grou... | data_image0
_chemical_formula_structural Na4Te8O18Cs
_chemical_formula_sum "Na4 Te8 O18 Cs1"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_spac... |
InsertBetweenAtomsAction | c5696348-81ef-4d59-98ea-3bcb918ae746 | mp-1208560 | Insert a Nb atom in the line between atoms at indices 12 and 9, and the inserted atom must be 2.64 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ta2Tl2Cl12
_chemical_formula_sum "Ta2 Tl2 Cl12"
_cell_length_a 6.71945144
_cell_length_b 6.71945144
_cell_length_c 11.997800679999997
_cell_angle_alpha 79.75547407
_cell_angle_beta 79.75547407
_cell_angle_gamma 55.558061880000004
_... | data_image0
_chemical_formula_structural Ta2Tl2Cl12Nb
_chemical_formula_sum "Ta2 Tl2 Cl12 Nb1"
_cell_length_a 6.71945144
_cell_length_b 6.71945144
_cell_length_c 11.997800679999997
_cell_angle_alpha 79.75547407
_cell_angle_beta 79.75547407
_cell_angle_gamma 55.558061880000... |
InsertBetweenAtomsAction | 2f6eafab-6ad0-4948-b80f-9994271feb69 | mp-850933 | Insert a Ge atom in the line between atoms at indices 18 and 20, and the inserted atom must be 3.20 angstrom from atom at 18 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 Fe8O14F2Ge
_chemical_formula_sum "Fe8 O14 F2 Ge1"
_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... |
InsertBetweenAtomsAction | 5d30fc43-ee87-48b0-ab33-a11989f7c52a | mp-1102559 | Insert a Th atom in the line between atoms at indices 9 and 11, and the inserted atom must be 3.54 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Nb4Se8
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nb4Se8Th
_chemical_formula_sum "Nb4 Se8 Th1"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | d4da6c33-2ecd-4806-a6f5-f0ebb21ca3b7 | mp-979979 | Insert a Mt atom in the line between atoms at indices 1 and 5, and the inserted atom must be 6.20 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sm6Sb8Au6
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_group_na... | data_image0
_chemical_formula_structural Sm6Sb8Au6Mt
_chemical_formula_sum "Sm6 Sb8 Au6 Mt1"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_gr... |
InsertBetweenAtomsAction | 8c85c796-d436-4aa1-896c-07539098ee1b | mp-1196015 | Insert a Tl atom in the line between atoms at indices 12 and 18, and the inserted atom must be 2.87 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 Cs8P4Au4S16Tl
_chemical_formula_sum "Cs8 P4 Au4 S16 Tl1"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 5676344d-9954-4ef3-a71b-14bc77faec53 | mp-756272 | Insert a Na atom in the line between atoms at indices 13 and 6, and the inserted atom must be 1.47 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural La4Dy4O12
_chemical_formula_sum "La4 Dy4 O12"
_cell_length_a 5.941605
_cell_length_b 6.1279
_cell_length_c 8.576976
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural La4Dy4O12Na
_chemical_formula_sum "La4 Dy4 O12 Na1"
_cell_length_a 5.941605
_cell_length_b 6.1279
_cell_length_c 8.576976
_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 | 0249a7ca-5456-4e53-a8f3-643d37222403 | mp-756666 | Insert a Ne atom in the line between atoms at indices 5 and 2, and the inserted atom must be 3.69 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 10.31772053
_cell_length_b 10.31772053
_cell_length_c 10.31772053
_cell_angle_alpha 133.39603304999997
_cell_angle_beta 133.39603304999997
_cell_angle_gamma 68.03288288
_sp... | data_image0
_chemical_formula_structural Ba2Ca2I8Ne
_chemical_formula_sum "Ba2 Ca2 I8 Ne1"
_cell_length_a 10.31772053
_cell_length_b 10.31772053
_cell_length_c 10.31772053
_cell_angle_alpha 133.39603304999997
_cell_angle_beta 133.39603304999997
_cell_angle_gamma 68.0328828... |
InsertBetweenAtomsAction | d6c707a8-27fc-49d4-b4aa-09883e70ac80 | mp-1179847 | Insert a Y atom in the line between atoms at indices 18 and 15, and the inserted atom must be 3.29 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Pt4N8Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural Pt4N8Cl8Y
_chemical_formula_sum "Pt4 N8 Cl8 Y1"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
InsertBetweenAtomsAction | d2076c10-6030-40e5-b54a-c86ef7606142 | mp-8081 | Insert a S atom in the line between atoms at indices 4 and 6, and the inserted atom must be 3.22 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na4Sn2F12
_chemical_formula_sum "Na4 Sn2 F12"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_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 Na4Sn2F12S
_chemical_formula_sum "Na4 Sn2 F12 S1"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 4d3fd89f-0d14-4cf8-a3bb-45fc41e1a6f7 | mp-23565 | Insert a Te atom in the line between atoms at indices 8 and 1, and the inserted atom must be 0.88 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Cr4AgBiO14
_chemical_formula_sum "Cr4 Ag1 Bi1 O14"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498199999... | data_image0
_chemical_formula_structural Cr4AgBiO14Te
_chemical_formula_sum "Cr4 Ag1 Bi1 O14 Te1"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498... |
InsertBetweenAtomsAction | bb389244-723d-497f-94de-ef37bfcb648e | mp-1197284 | Insert a I atom in the line between atoms at indices 23 and 12, and the inserted atom must be 2.81 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural B12Pb6O22F4
_chemical_formula_sum "B12 Pb6 O22 F4"
_cell_length_a 8.455164
_cell_length_b 6.688282
_cell_length_c 10.14979484
_cell_angle_alpha 76.62846595
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural B12Pb6O22F4I
_chemical_formula_sum "B12 Pb6 O22 F4 I1"
_cell_length_a 8.455164
_cell_length_b 6.688282
_cell_length_c 10.14979484
_cell_angle_alpha 76.62846595
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 738d2a9c-f415-4700-a20c-69e4be409756 | mp-1520792 | Insert a N atom in the line between atoms at indices 2 and 7, and the inserted atom must be 0.95 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... | data_image0
_chemical_formula_structural KLaZrTiO6N
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6 N1"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 6... |
InsertBetweenAtomsAction | ffe698da-5301-4eb6-bc4e-99e19bca5d5b | mp-1182975 | Insert a Ne atom in the line between atoms at indices 4 and 12, and the inserted atom must be 4.66 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Al2N8Cl8
_chemical_formula_sum "Al2 N8 Cl8"
_cell_length_a 9.69665784
_cell_length_b 9.69665784
_cell_length_c 4.07384405
_cell_angle_alpha 83.34149431000002
_cell_angle_beta 83.34149431000002
_cell_angle_gamma 62.09078063
_space_g... | data_image0
_chemical_formula_structural Al2N8Cl8Ne
_chemical_formula_sum "Al2 N8 Cl8 Ne1"
_cell_length_a 9.69665784
_cell_length_b 9.69665784
_cell_length_c 4.07384405
_cell_angle_alpha 83.34149431000002
_cell_angle_beta 83.34149431000002
_cell_angle_gamma 62.09078063
_s... |
InsertBetweenAtomsAction | 48d289b0-cc85-4a1c-aa0d-ad91e3062034 | mp-1214464 | Insert a U atom in the line between atoms at indices 23 and 27, and the inserted atom must be 1.12 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Ca2Nb2O24F4
_chemical_formula_sum "Ca2 Nb2 O24 F4"
_cell_length_a 7.59644815
_cell_length_b 7.5964481500000005
_cell_length_c 7.59644815
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999... | data_image0
_chemical_formula_structural Ca2Nb2O24F4U
_chemical_formula_sum "Ca2 Nb2 O24 F4 U1"
_cell_length_a 7.59644815
_cell_length_b 7.5964481500000005
_cell_length_c 7.59644815
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
InsertBetweenAtomsAction | 4df0aa03-531a-40fa-806a-818e924a0edb | mp-10091 | Insert a Nd atom in the line between atoms at indices 1 and 15, and the inserted atom must be 0.68 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K2V2Cu4Se8
_chemical_formula_sum "K2 V2 Cu4 Se8"
_cell_length_a 9.80277711
_cell_length_b 9.80277711
_cell_length_c 7.708865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74359664
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2V2Cu4Se8Nd
_chemical_formula_sum "K2 V2 Cu4 Se8 Nd1"
_cell_length_a 9.80277711
_cell_length_b 9.80277711
_cell_length_c 7.708865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74359664
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | f8339842-8cd2-4ff5-9ffd-05de5af8b725 | mp-1190979 | Insert a Pu atom in the line between atoms at indices 0 and 19, and the inserted atom must be 0.56 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Sc16Ir8Pu
_chemical_formula_sum "Sc16 Ir8 Pu1"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
... |
InsertBetweenAtomsAction | e830a116-ca5f-4879-8598-b1e3199e9d7a | mp-1201588 | Insert a Ds atom in the line between atoms at indices 4 and 37, and the inserted atom must be 1.22 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Nd12Fe26Hg2
_chemical_formula_sum "Nd12 Fe26 Hg2"
_cell_length_a 8.093624
_cell_length_b 8.093624
_cell_length_c 12.82748412
_cell_angle_alpha 108.38978071999999
_cell_angle_beta 108.38978071999999
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Nd12Fe26Hg2Ds
_chemical_formula_sum "Nd12 Fe26 Hg2 Ds1"
_cell_length_a 8.093624
_cell_length_b 8.093624
_cell_length_c 12.82748412
_cell_angle_alpha 108.38978071999999
_cell_angle_beta 108.38978071999999
_cell_angle_gamma 90.0
_spa... |
InsertBetweenAtomsAction | 376b6b68-8b3f-4175-a5bb-44e02000c171 | mp-23675 | Insert a Db atom in the line between atoms at indices 11 and 2, and the inserted atom must be 1.49 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 H8Br2N2Db
_chemical_formula_sum "H8 Br2 N2 Db1"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 | be6d2585-8a03-41b0-9238-f720540c2347 | mp-1182382 | Insert a Mo atom in the line between atoms at indices 6 and 14, and the inserted atom must be 3.76 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ca2O20
_chemical_formula_sum "Ca2 O20"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_nu... | data_image0
_chemical_formula_structural Ca2O20Mo
_chemical_formula_sum "Ca2 O20 Mo1"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
InsertBetweenAtomsAction | ae8277e5-35cf-48ca-9943-192dc6bfa478 | mp-1223078 | Insert a Sb atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.23 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... | data_image0
_chemical_formula_structural La4PtO7Sb
_chemical_formula_sum "La4 Pt1 O7 Sb1"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group... |
InsertBetweenAtomsAction | 31088c4d-b1d1-4a5d-a4c8-6e79c9ad37c7 | mp-567505 | Insert a Au atom in the line between atoms at indices 13 and 9, and the inserted atom must be 1.81 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8Au
_chemical_formula_sum "Si8 C8 Au1"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | a29c6fed-299c-4d9e-9d13-8e1c8c6ee251 | mp-2232136 | Insert a Ce atom in the line between atoms at indices 11 and 13, and the inserted atom must be 2.07 angstrom from atom at 11 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 K2RbTbMgV2O8Ce
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8 Ce1"
_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 | 04a30f36-8012-48a4-9818-5e59fabb060f | mp-768242 | Insert a La atom in the line between atoms at indices 14 and 13, and the inserted atom must be 1.11 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Pt4O12
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_nu... | data_image0
_chemical_formula_structural Pt4O12La
_chemical_formula_sum "Pt4 O12 La1"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
InsertBetweenAtomsAction | e09c383d-d4df-4eee-b40b-47285cfbf3a9 | mp-540477 | Insert a Nd atom in the line between atoms at indices 1 and 18, and the inserted atom must be 2.51 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li2MnP4O12
_chemical_formula_sum "Li2 Mn1 P4 O12"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.98866200000002
_sp... | data_image0
_chemical_formula_structural Li2MnP4O12Nd
_chemical_formula_sum "Li2 Mn1 P4 O12 Nd1"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.9886620000000... |
InsertBetweenAtomsAction | 3d5a0bc4-f855-424a-b83e-a80bffe72f9a | mp-1219571 | Insert a Lr atom in the line between atoms at indices 16 and 6, and the inserted atom must be 5.31 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Rb2Mg2Cr2F12
_chemical_formula_sum "Rb2 Mg2 Cr2 F12"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space_gr... | data_image0
_chemical_formula_structural Rb2Mg2Cr2F12Lr
_chemical_formula_sum "Rb2 Mg2 Cr2 F12 Lr1"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_sp... |
InsertBetweenAtomsAction | e61e78be-c68e-4c7a-9355-e5b4d3875fba | mp-1200661 | Insert a Th atom in the line between atoms at indices 44 and 12, and the inserted atom must be 3.97 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural K4Na12In36
_chemical_formula_sum "K4 Na12 In36"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K4Na12In36Th
_chemical_formula_sum "K4 Na12 In36 Th1"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_nam... |
InsertBetweenAtomsAction | 4fac69ca-6a27-4c41-8a98-cf62fd9740c7 | mp-1198231 | Insert a Zr atom in the line between atoms at indices 48 and 43, and the inserted atom must be 7.93 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural Tl8V8P8O48
_chemical_formula_sum "Tl8 V8 P8 O48"
_cell_length_a 6.827148
_cell_length_b 9.69264
_cell_length_c 18.06332
_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 Tl8V8P8O48Zr
_chemical_formula_sum "Tl8 V8 P8 O48 Zr1"
_cell_length_a 6.827148
_cell_length_b 9.69264
_cell_length_c 18.06332
_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 | b57a9d7d-e0ac-4239-92ec-74eb9087c736 | mp-752818 | Insert a Sr atom in the line between atoms at indices 26 and 4, and the inserted atom must be 8.94 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li4Co7O3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_space_gro... | data_image0
_chemical_formula_structural Li4Co7O3F13Sr
_chemical_formula_sum "Li4 Co7 O3 F13 Sr1"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_spa... |
InsertBetweenAtomsAction | 7e2fa2e7-56fe-43ca-b225-afbbfdd54fb2 | mp-1218449 | Insert a Pt atom in the line between atoms at indices 3 and 4, and the inserted atom must be 0.55 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12Pt
_chemical_formula_sum "Sr2 Ca6 Ir2 O12 Pt1"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_gr... |
InsertBetweenAtomsAction | 32036929-b84e-411a-9e85-f58cc67d88ab | mp-1182238 | Insert a Br atom in the line between atoms at indices 18 and 17, and the inserted atom must be 3.11 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba8O16Br
_chemical_formula_sum "Ba8 O16 Br1"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | e8435a60-6670-4cca-be9f-afa1c06591ea | mp-627591 | Insert a Rn atom in the line between atoms at indices 25 and 15, and the inserted atom must be 0.82 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 Fe8Si4S16Rn
_chemical_formula_sum "Fe8 Si4 S16 Rn1"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 212ba233-a456-447f-aa8c-9ac9fbee9c20 | mp-22106 | Insert a V atom in the line between atoms at indices 18 and 13, and the inserted atom must be 1.43 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd4Ni4O12V
_chemical_formula_sum "Nd4 Ni4 O12 V1"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 | bfaed196-86d1-4768-8b57-23fdf076acd5 | mp-27707 | Insert a Ho atom in the line between atoms at indices 2 and 9, and the inserted atom must be 3.74 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Rb2Co2Cl6
_chemical_formula_sum "Rb2 Co2 Cl6"
_cell_length_a 7.01762171
_cell_length_b 7.01762004
_cell_length_c 5.94230516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998953
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Rb2Co2Cl6Ho
_chemical_formula_sum "Rb2 Co2 Cl6 Ho1"
_cell_length_a 7.01762171
_cell_length_b 7.01762004
_cell_length_c 5.94230516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998953
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 254ecd7e-ba97-45a4-8032-970997f2d708 | mp-1196261 | Insert a Er atom in the line between atoms at indices 24 and 28, and the inserted atom must be 1.79 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Sb8Xe4F38
_chemical_formula_sum "Sb8 Xe4 F38"
_cell_length_a 8.929818
_cell_length_b 10.95166
_cell_length_c 15.92144232
_cell_angle_alpha 50.14639231
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb8Xe4F38Er
_chemical_formula_sum "Sb8 Xe4 F38 Er1"
_cell_length_a 8.929818
_cell_length_b 10.95166
_cell_length_c 15.92144232
_cell_angle_alpha 50.14639231
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | c8ff8117-e090-4360-91f6-1d6d08c94cca | mp-559062 | Insert a N atom in the line between atoms at indices 23 and 10, and the inserted atom must be 1.47 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural K4P4O8F8
_chemical_formula_sum "K4 P4 O8 F8"
_cell_length_a 6.16242579
_cell_length_b 7.53508156
_cell_length_c 7.89272309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural K4P4O8F8N
_chemical_formula_sum "K4 P4 O8 F8 N1"
_cell_length_a 6.16242579
_cell_length_b 7.53508156
_cell_length_c 7.89272309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 25106558-db45-4030-aaca-aeec4e4faffd | mp-1223827 | Insert a Hs atom in the line between atoms at indices 2 and 1, and the inserted atom must be 0.96 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... | data_image0
_chemical_formula_structural K2NaNbO2F4Hs
_chemical_formula_sum "K2 Na1 Nb1 O2 F4 Hs1"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_spa... |
InsertBetweenAtomsAction | a042ace1-b9af-4a2f-90fc-0d17448643ff | mp-1043245 | Insert a Ge atom in the line between atoms at indices 7 and 12, and the inserted atom must be 2.20 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Co2Ge4O12
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_spa... | data_image0
_chemical_formula_structural Co2Ge4O12Ge
_chemical_formula_sum "Co2 Ge5 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_s... |
InsertBetweenAtomsAction | 9baf3201-faf3-4bd1-b2d3-d533602c76c0 | mp-1043973 | Insert a Kr atom in the line between atoms at indices 12 and 25, and the inserted atom must be 2.25 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Zn2W8O18
_chemical_formula_sum "Zn2 W8 O18"
_cell_length_a 9.78948
_cell_length_b 9.78948
_cell_length_c 3.87883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Zn2W8O18Kr
_chemical_formula_sum "Zn2 W8 O18 Kr1"
_cell_length_a 9.78948
_cell_length_b 9.78948
_cell_length_c 3.87883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
InsertBetweenAtomsAction | c91ec5b3-31ec-4ac9-863f-5b4088811a67 | mp-15203 | Insert a Ga atom in the line between atoms at indices 27 and 47, and the inserted atom must be 9.74 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6Ga
_chemical_formula_sum "Li12 Ca24 W8 N32 O6 Ga1"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angl... |
InsertBetweenAtomsAction | 61f10889-691c-44c4-8f90-8982531cb89c | mp-779456 | Insert a La atom in the line between atoms at indices 13 and 15, and the inserted atom must be 5.35 angstrom from atom at 13 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 Y8Re4O20La
_chemical_formula_sum "Y8 Re4 O20 La1"
_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 | 2dd195c9-5f4f-4e89-b51b-8abd011ac9f5 | mp-752818 | Insert a Ca atom in the line between atoms at indices 19 and 23, and the inserted atom must be 0.48 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li4Co7O3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_space_gro... | data_image0
_chemical_formula_structural Li4Co7O3F13Ca
_chemical_formula_sum "Li4 Co7 O3 F13 Ca1"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_spa... |
InsertBetweenAtomsAction | fec8b355-1ccc-4bfe-919c-8529df788e30 | mp-1200075 | Insert a Na atom in the line between atoms at indices 28 and 12, and the inserted atom must be 3.15 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523140... | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2Na
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2 Na1"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6... |
InsertBetweenAtomsAction | 8f2997b4-b7d7-4040-8c04-fa10a0b861e7 | mp-1178412 | Insert a Te atom in the line between atoms at indices 17 and 7, and the inserted atom must be 1.37 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Cr2Co2P4O16
_chemical_formula_sum "Cr2 Co2 P4 O16"
_cell_length_a 5.802582
_cell_length_b 4.791475
_cell_length_c 9.920894130000002
_cell_angle_alpha 89.89668048
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Cr2Co2P4O16Te
_chemical_formula_sum "Cr2 Co2 P4 O16 Te1"
_cell_length_a 5.802582
_cell_length_b 4.791475
_cell_length_c 9.920894130000002
_cell_angle_alpha 89.89668048
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 4fac4bcf-2ef3-45b8-b76e-6261f0452389 | mp-581602 | Insert a Sc atom in the line between atoms at indices 0 and 3, and the inserted atom must be 7.76 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Zn12S12
_chemical_formula_sum "Zn12 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.845026259999922
_s... | data_image0
_chemical_formula_structural Zn12S12Sc
_chemical_formula_sum "Zn12 S12 Sc1"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.8450262599999... |
InsertBetweenAtomsAction | 697e6bf1-c02f-495c-8302-594b765be12e | mp-756136 | Insert a Fl atom in the line between atoms at indices 19 and 12, and the inserted atom must be 6.27 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ca4Pb4I16
_chemical_formula_sum "Ca4 Pb4 I16"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca4Pb4I16Fl
_chemical_formula_sum "Ca4 Pb4 I16 Fl1"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 59b1060d-051b-4c92-9a27-9e38464ae0c8 | mp-1216973 | Insert a Fr atom in the line between atoms at indices 24 and 35, and the inserted atom must be 4.21 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Tm14Mg6Ge16Fr
_chemical_formula_sum "Tm14 Mg6 Ge16 Fr1"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | ce489bde-571c-4be5-8fea-28922ef89953 | mp-1195679 | Insert a Pd atom in the line between atoms at indices 5 and 29, and the inserted atom must be 0.37 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs4Th2Si12O30Pd
_chemical_formula_sum "Cs4 Th2 Si12 O30 Pd1"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_na... |
InsertBetweenAtomsAction | 8b65184c-ae7b-42a8-b2e1-0559a6603835 | mp-2232113 | Insert a Po atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.69 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... | data_image0
_chemical_formula_structural MgFe4Hg2O8Po
_chemical_formula_sum "Mg1 Fe4 Hg2 O8 Po1"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.6459... |
InsertBetweenAtomsAction | 68266fcc-640f-47fc-9dd8-a5507554c764 | mp-17235 | Insert a Fm atom in the line between atoms at indices 20 and 14, and the inserted atom must be 5.44 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Sm8Si8O28
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_name_H... | data_image0
_chemical_formula_structural Sm8Si8O28Fm
_chemical_formula_sum "Sm8 Si8 O28 Fm1"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_... |
InsertBetweenAtomsAction | 18d2b275-41fc-4bb7-ae70-6c120d675aaa | mp-1247179 | Insert a Np atom in the line between atoms at indices 4 and 36, and the inserted atom must be 7.07 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mn12In32N36
_chemical_formula_sum "Mn12 In32 N36"
_cell_length_a 7.14848932
_cell_length_b 11.41523106
_cell_length_c 18.08871383
_cell_angle_alpha 90.0
_cell_angle_beta 112.29965589
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn12In32N36Np
_chemical_formula_sum "Mn12 In32 N36 Np1"
_cell_length_a 7.14848932
_cell_length_b 11.41523106
_cell_length_c 18.08871383
_cell_angle_alpha 90.0
_cell_angle_beta 112.29965589
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | f6104b53-a8cf-4166-a094-1563f7e7f8ea | mp-721246 | Insert a Hf atom in the line between atoms at indices 12 and 29, and the inserted atom must be 3.05 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Sr12Co2C4N14
_chemical_formula_sum "Sr12 Co2 C4 N14"
_cell_length_a 3.869881
_cell_length_b 9.893229
_cell_length_c 14.690993
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Sr12Co2C4N14Hf
_chemical_formula_sum "Sr12 Co2 C4 N14 Hf1"
_cell_length_a 3.869881
_cell_length_b 9.893229
_cell_length_c 14.690993
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | c2aed396-3e86-4509-b131-64843f9ed7ee | mp-1174755 | Insert a Sc atom in the line between atoms at indices 7 and 11, and the inserted atom must be 0.70 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Sc
_chemical_formula_sum "Li8 Mn2 Co4 O14 Sc1"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
... |
InsertBetweenAtomsAction | 291552e7-e64d-4be2-840d-196a886ecaee | mp-1196633 | Insert a Al atom in the line between atoms at indices 12 and 75, and the inserted atom must be 2.28 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural HgH36C14S8O12F6
_chemical_formula_sum "Hg1 H36 C14 S8 O12 F6"
_cell_length_a 7.019827
_cell_length_b 12.53952735
_cell_length_c 12.54751375
_cell_angle_alpha 60.05261260999998
_cell_angle_beta 89.9974794
_cell_angle_gamma 89.986434
... | data_image0
_chemical_formula_structural HgH36C14S8O12F6Al
_chemical_formula_sum "Hg1 H36 C14 S8 O12 F6 Al1"
_cell_length_a 7.019827
_cell_length_b 12.53952735
_cell_length_c 12.54751375
_cell_angle_alpha 60.05261260999998
_cell_angle_beta 89.9974794
_cell_angle_gamma 89.9... |
InsertBetweenAtomsAction | 1f2cd1da-d4a0-4223-9d88-5d6f60b87160 | mp-1199158 | Insert a As atom in the line between atoms at indices 21 and 18, and the inserted atom must be 0.84 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Tm22Sn20As
_chemical_formula_sum "Tm22 Sn20 As1"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_spa... |
InsertBetweenAtomsAction | a73fd0ef-4297-40c9-b3ab-822d75e7ecfd | mp-1225690 | Insert a Gd atom in the line between atoms at indices 0 and 9, and the inserted atom must be 2.14 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Er2Fe6Co6P7
_chemical_formula_sum "Er2 Fe6 Co6 P7"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er2Fe6Co6P7Gd
_chemical_formula_sum "Er2 Fe6 Co6 P7 Gd1"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 4a0a5e29-b6f5-49db-9c8f-2372c4543021 | mp-698063 | Insert a Fr atom in the line between atoms at indices 28 and 31, and the inserted atom must be 4.79 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural Na8P8H8O28Fr
_chemical_formula_sum "Na8 P8 H8 O28 Fr1"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
... |
InsertBetweenAtomsAction | 45313b25-7897-412e-9dff-65e9ee22ee74 | mp-1245147 | Insert a Tc atom in the line between atoms at indices 42 and 29, and the inserted atom must be 3.66 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr16Fe16O48Tc
_chemical_formula_sum "Cr16 Fe16 O48 Tc1"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856... |
InsertBetweenAtomsAction | cc33b650-d510-494d-8cb1-0c2a0e07ab27 | mp-1192677 | Insert a Ts atom in the line between atoms at indices 18 and 9, and the inserted atom must be 8.30 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI13Ts
_chemical_formula_sum "Cs4 Pr6 Os1 I13 Ts1"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.... |
InsertBetweenAtomsAction | f42b0ef0-52fe-440b-b8c4-84a62a612b94 | mp-2230889 | Insert a Sb atom in the line between atoms at indices 7 and 17, and the inserted atom must be 1.83 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5FeO12Sb
_chemical_formula_sum "Mg1 V5 Fe1 O12 Sb1"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_... |
InsertBetweenAtomsAction | 2a04af44-8046-410d-b43a-5ccf1d2eeb33 | mp-1034441 | Insert a Te atom in the line between atoms at indices 27 and 15, and the inserted atom must be 2.89 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_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 Mg14CrSnO16Te
_chemical_formula_sum "Mg14 Cr1 Sn1 O16 Te1"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | a0ea831d-3c1d-4a85-8995-3aced0e230fa | mp-1104301 | Insert a Al atom in the line between atoms at indices 0 and 2, and the inserted atom must be 3.63 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... | data_image0
_chemical_formula_structural K3Pb2Cl8Al
_chemical_formula_sum "K3 Pb2 Cl8 Al1"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_spa... |
InsertBetweenAtomsAction | c8499f21-eeb8-45d1-8126-a4986d3254d8 | mp-1176375 | Insert a Ti atom in the line between atoms at indices 34 and 25, and the inserted atom must be 5.31 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Na6Ni4P4C4O28
_chemical_formula_sum "Na6 Ni4 P4 C4 O28"
_cell_length_a 8.310674
_cell_length_b 8.318246190000002
_cell_length_c 10.22145403
_cell_angle_alpha 107.61280397
_cell_angle_beta 107.54584119999998
_cell_angle_gamma 102.983... | data_image0
_chemical_formula_structural Na6Ni4P4C4O28Ti
_chemical_formula_sum "Na6 Ni4 P4 C4 O28 Ti1"
_cell_length_a 8.310674
_cell_length_b 8.318246190000002
_cell_length_c 10.22145403
_cell_angle_alpha 107.61280397
_cell_angle_beta 107.54584119999998
_cell_angle_gamma 1... |
InsertBetweenAtomsAction | 540f38a3-615a-4297-9f5d-02f04e00d83e | mp-642735 | Insert a W atom in the line between atoms at indices 5 and 7, and the inserted atom must be 3.06 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H8Pt2W
_chemical_formula_sum "Rb4 H8 Pt2 W1"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 | 99e508fc-ee42-4fe8-a472-1447bdea0621 | mp-31180 | Insert a P atom in the line between atoms at indices 5 and 6, and the inserted atom must be 2.08 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Dy2Al8Ni2
_chemical_formula_sum "Dy2 Al8 Ni2"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Dy2Al8Ni2P
_chemical_formula_sum "Dy2 Al8 Ni2 P1"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | de2f0d3b-6653-4c2a-9d2f-e2434ff13894 | mp-1406703 | Insert a Co atom in the line between atoms at indices 17 and 13, and the inserted atom must be 2.88 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li8Co2O6F2
_chemical_formula_sum "Li8 Co2 O6 F2"
_cell_length_a 5.225015
_cell_length_b 5.34709061
_cell_length_c 7.7588422800000005
_cell_angle_alpha 109.9820153
_cell_angle_beta 82.91234078
_cell_angle_gamma 113.64964108
_space_g... | data_image0
_chemical_formula_structural Li8Co2O6F2Co
_chemical_formula_sum "Li8 Co3 O6 F2"
_cell_length_a 5.225015
_cell_length_b 5.34709061
_cell_length_c 7.7588422800000005
_cell_angle_alpha 109.9820153
_cell_angle_beta 82.91234078
_cell_angle_gamma 113.64964108
_space... |
InsertBetweenAtomsAction | 0c82a6ec-80ff-44aa-b57d-654fb15d351d | mp-849398 | Insert a Fl atom in the line between atoms at indices 1 and 79, and the inserted atom must be 1.91 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li20Mn8P12O48
_chemical_formula_sum "Li20 Mn8 P12 O48"
_cell_length_a 8.88905
_cell_length_b 8.731993
_cell_length_c 15.194232
_cell_angle_alpha 55.958151120000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li20Mn8P12O48Fl
_chemical_formula_sum "Li20 Mn8 P12 O48 Fl1"
_cell_length_a 8.88905
_cell_length_b 8.731993
_cell_length_c 15.194232
_cell_angle_alpha 55.958151120000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 09dc784d-57d2-41ed-8478-1106dc3632d7 | mp-1046244 | Insert a C atom in the line between atoms at indices 11 and 12, and the inserted atom must be 3.67 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Sr2Bi2P4O16
_chemical_formula_sum "Sr2 Bi2 P4 O16"
_cell_length_a 5.517599
_cell_length_b 7.22489438
_cell_length_c 9.74518414
_cell_angle_alpha 106.94443890999999
_cell_angle_beta 97.78745957
_cell_angle_gamma 97.70727401
_space_g... | data_image0
_chemical_formula_structural Sr2Bi2P4O16C
_chemical_formula_sum "Sr2 Bi2 P4 O16 C1"
_cell_length_a 5.517599
_cell_length_b 7.22489438
_cell_length_c 9.74518414
_cell_angle_alpha 106.94443890999999
_cell_angle_beta 97.78745957
_cell_angle_gamma 97.70727401
_spa... |
InsertBetweenAtomsAction | 53d6a1ba-46d5-4e82-acf9-70cf91a98ea8 | mp-1305999 | Insert a Li atom in the line between atoms at indices 6 and 7, and the inserted atom must be 2.52 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi4O8Li
_chemical_formula_sum "Li4 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
... |
InsertBetweenAtomsAction | fd509205-ae55-4889-b054-23f4480607c6 | mp-1228296 | Insert a Fl atom in the line between atoms at indices 11 and 9, and the inserted atom must be 1.61 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Cs10Re12S16Cl14
_chemical_formula_sum "Cs10 Re12 S16 Cl14"
_cell_length_a 19.27988906
_cell_length_b 19.27988906
_cell_length_c 19.27988893
_cell_angle_alpha 30.276571750000013
_cell_angle_beta 30.276571750000013
_cell_angle_gamma 3... | data_image0
_chemical_formula_structural Cs10Re12S16Cl14Fl
_chemical_formula_sum "Cs10 Re12 S16 Cl14 Fl1"
_cell_length_a 19.27988906
_cell_length_b 19.27988906
_cell_length_c 19.27988893
_cell_angle_alpha 30.276571750000013
_cell_angle_beta 30.276571750000013
_cell_angle_gamm... |
InsertBetweenAtomsAction | c33863f0-9776-4730-89a4-f85f36543cd3 | mp-1030404 | Insert a W atom in the line between atoms at indices 1 and 3, and the inserted atom must be 18.67 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Te4Mo3WSe2S2
_chemical_formula_sum "Te4 Mo3 W1 Se2 S2"
_cell_length_a 3.4009808
_cell_length_b 3.4009808000000006
_cell_length_c 38.652358
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001554000002
_space_gro... | data_image0
_chemical_formula_structural Te4Mo3WSe2S2W
_chemical_formula_sum "Te4 Mo3 W2 Se2 S2"
_cell_length_a 3.4009808
_cell_length_b 3.4009808000000006
_cell_length_c 38.652358
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001554000002
_space_gr... |
InsertBetweenAtomsAction | 57083fe3-a76e-405b-bedb-d87ff7ff34c4 | mp-752461 | Insert a Tm atom in the line between atoms at indices 0 and 2, and the inserted atom must be 1.49 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.794192
_cell_length_b 5.7488937899999994
_cell_length_c 7.907657610000001
_cell_angle_alpha 84.66724938999998
_cell_angle_beta 87.05711292
_cell_angle_gamma 84.78686068
_sp... | data_image0
_chemical_formula_structural Mn6O5F7Tm
_chemical_formula_sum "Mn6 O5 F7 Tm1"
_cell_length_a 4.794192
_cell_length_b 5.7488937899999994
_cell_length_c 7.907657610000001
_cell_angle_alpha 84.66724938999998
_cell_angle_beta 87.05711292
_cell_angle_gamma 84.7868606... |
InsertBetweenAtomsAction | 4cf0b6a9-36c4-4a49-9177-59c3b5aec755 | mp-756993 | Insert a Br atom in the line between atoms at indices 21 and 3, and the inserted atom must be 0.38 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14Br
_chemical_formula_sum "Li4 Co2 P4 O14 Br1"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
... |
InsertBetweenAtomsAction | 61c2a012-3711-4691-b3fc-9636cb60627e | mp-1194895 | Insert a B atom in the line between atoms at indices 53 and 64, and the inserted atom must be 7.86 angstrom from atom at 53 in the cif file. | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Th8Te12Mo4O52B
_chemical_formula_sum "Th8 Te12 Mo4 O52 B1"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | ab33d7b6-48f9-4004-a697-98948628e5b9 | mp-1198355 | Insert a Mt atom in the line between atoms at indices 41 and 64, and the inserted atom must be 11.84 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B22O44Mt
_chemical_formula_sum "Sr4 B22 O44 Mt1"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | b7be5ebc-17c1-4bec-b0b4-24479c534d58 | mp-616196 | Insert a Pa atom in the line between atoms at indices 17 and 16, and the inserted atom must be 1.76 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... | data_image0
_chemical_formula_structural Os2C6I4O6Pa
_chemical_formula_sum "Os2 C6 I4 O6 Pa1"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_grou... |
InsertBetweenAtomsAction | 8f9986c0-5a22-4793-b83c-83d596859ddf | mp-705637 | Insert a Po atom in the line between atoms at indices 94 and 18, and the inserted atom must be 5.00 angstrom from atom at 94 in the cif file. | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... | data_image0
_chemical_formula_structural Ni16P16O64Po
_chemical_formula_sum "Ni16 P16 O64 Po1"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_... |
InsertBetweenAtomsAction | 4590398e-5b18-42ee-ab73-bf0ba53944c7 | mp-19140 | Insert a Ar atom in the line between atoms at indices 8 and 0, and the inserted atom must be 2.68 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K12Mn4O16Ar
_chemical_formula_sum "K12 Mn4 O16 Ar1"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927... |
InsertBetweenAtomsAction | 3333be93-27d6-4741-86f6-58a5c84291f2 | mp-1111056 | Insert a Rb atom in the line between atoms at indices 6 and 0, and the inserted atom must be 3.47 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Na2LiAlF6
_chemical_formula_sum "Na2 Li1 Al1 F6"
_cell_length_a 5.41110777
_cell_length_b 5.41110777
_cell_length_c 5.41110777
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiAlF6Rb
_chemical_formula_sum "Na2 Li1 Al1 F6 Rb1"
_cell_length_a 5.41110777
_cell_length_b 5.41110777
_cell_length_c 5.41110777
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | 9ee83727-8a4e-408b-a4cd-dea737166876 | mp-777888 | Insert a Sr atom in the line between atoms at indices 6 and 8, and the inserted atom must be 3.72 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_group_n... | data_image0
_chemical_formula_structural Li4Fe4F12Sr
_chemical_formula_sum "Li4 Fe4 F12 Sr1"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_g... |
InsertBetweenAtomsAction | 994df168-149c-448d-8ff5-691e4df4311d | mp-1195020 | Insert a Be atom in the line between atoms at indices 18 and 19, and the inserted atom must be 7.08 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4Tl4P8Se24Be
_chemical_formula_sum "Pr4 Tl4 P8 Se24 Be1"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | d839e57e-235a-425e-966d-d75088458c00 | mp-768505 | Insert a Tc atom in the line between atoms at indices 29 and 1, and the inserted atom must be 6.18 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... | data_image0
_chemical_formula_structural Lu6Ga6O18Tc
_chemical_formula_sum "Lu6 Ga6 O18 Tc1"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_sp... |
InsertBetweenAtomsAction | 7c2605f8-cccc-4c6a-a522-91abd21c3647 | mp-1235973 | Insert a He atom in the line between atoms at indices 18 and 15, and the inserted atom must be 2.10 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12He
_chemical_formula_sum "Li1 Y4 Ag4 O12 He1"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name... |
InsertBetweenAtomsAction | 1cd7aa1f-e55d-4fd6-9bcf-9b2f87a258ac | mp-1102412 | Insert a Ta atom in the line between atoms at indices 9 and 6, and the inserted atom must be 0.83 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cr4O8
_chemical_formula_sum "Cr4 O8"
_cell_length_a 4.26593859
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Cr4O8Ta
_chemical_formula_sum "Cr4 O8 Ta1"
_cell_length_a 4.26593859
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 085c83d0-75c0-4102-951d-029191eb43f0 | mp-1095574 | Insert a Bk atom in the line between atoms at indices 3 and 8, and the inserted atom must be 2.77 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 Ce4Ga4Ag4Bk
_chemical_formula_sum "Ce4 Ga4 Ag4 Bk1"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 | 0c518664-dd3c-4349-9780-521a5e27ec40 | mp-1023289 | Insert a Cs atom in the line between atoms at indices 7 and 11, and the inserted atom must be 2.00 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg12Al2W2
_chemical_formula_sum "Mg12 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_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 Mg12Al2W2Cs
_chemical_formula_sum "Mg12 Al2 W2 Cs1"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | a30da5de-7b60-41d5-9ca0-0d3473154e6f | mp-1021306 | Insert a Ba atom in the line between atoms at indices 5 and 4, and the inserted atom must be 2.21 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li2Mg12B2
_chemical_formula_sum "Li2 Mg12 B2"
_cell_length_a 4.576494
_cell_length_b 6.473941
_cell_length_c 10.486589
_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 Li2Mg12B2Ba
_chemical_formula_sum "Li2 Mg12 B2 Ba1"
_cell_length_a 4.576494
_cell_length_b 6.473941
_cell_length_c 10.486589
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
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