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 | fcdc3205-4f2c-456b-8d97-bed0edfe771d | mp-721707 | Insert a Pm atom in the line between atoms at indices 53 and 16, and the inserted atom must be 3.82 angstrom from atom at 53 in the cif file. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H24C12N16O12Pm
_chemical_formula_sum "H24 C12 N16 O12 Pm1"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86... |
InsertBetweenAtomsAction | c8aa27ef-4b23-4370-a18e-a5bf544d794d | mp-690490 | Insert a Bk atom in the line between atoms at indices 6 and 9, and the inserted atom must be 4.60 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 Ti4V4O16Bk
_chemical_formula_sum "Ti4 V4 O16 Bk1"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 | 61e6f842-c6c6-4573-8ecc-1542585ab25b | mp-753615 | Insert a Mo atom in the line between atoms at indices 5 and 8, and the inserted atom must be 1.28 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4Mo
_chemical_formula_sum "Li3 Mn3 O4 F4 Mo1"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_g... |
InsertBetweenAtomsAction | ace7e279-c994-4765-b5cd-ec65c58137be | mp-759690 | Insert a Og atom in the line between atoms at indices 31 and 3, and the inserted atom must be 1.62 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H16N4F12Og
_chemical_formula_sum "Mn2 H16 N4 F12 Og1"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H... |
InsertBetweenAtomsAction | a7d0db88-6052-4a99-9c30-a93d94c9abbf | mp-1032333 | Insert a Tb atom in the line between atoms at indices 7 and 9, and the inserted atom must be 2.60 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural RbMg6CoO8
_chemical_formula_sum "Rb1 Mg6 Co1 O8"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_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 RbMg6CoO8Tb
_chemical_formula_sum "Rb1 Mg6 Co1 O8 Tb1"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | d8aca686-b4f4-4c83-9820-8983c6d821a6 | mp-752915 | Insert a Cm atom in the line between atoms at indices 8 and 9, and the inserted atom must be 2.04 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural LiV2Si2O8
_chemical_formula_sum "Li1 V2 Si2 O8"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural LiV2Si2O8Cm
_chemical_formula_sum "Li1 V2 Si2 O8 Cm1"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2d44bf0c-a084-401a-baa9-04eac01642eb | mp-27013 | Insert a B atom in the line between atoms at indices 17 and 40, and the inserted atom must be 6.47 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li18V6P16O58B
_chemical_formula_sum "Li18 V6 P16 O58 B1"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_n... |
InsertBetweenAtomsAction | 3f0d1b3a-2207-4fa5-b711-52987f4a39aa | mp-1212621 | Insert a Zn atom in the line between atoms at indices 43 and 22, and the inserted atom must be 8.05 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural H8C12N4Cl4O4F16
_chemical_formula_sum "H8 C12 N4 Cl4 O4 F16"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural H8C12N4Cl4O4F16Zn
_chemical_formula_sum "H8 C12 N4 Cl4 O4 F16 Zn1"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
InsertBetweenAtomsAction | 093cdb31-e4cd-4630-836a-8107a9f58ab5 | mp-556552 | Insert a Si atom in the line between atoms at indices 3 and 63, and the inserted atom must be 7.67 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K16V4P8S36
_chemical_formula_sum "K16 V4 P8 S36"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_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 K16V4P8S36Si
_chemical_formula_sum "K16 V4 P8 S36 Si1"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 7d164551-74de-46ec-b54c-3116a8e2e09f | mp-753988 | Insert a Mn atom in the line between atoms at indices 15 and 2, and the inserted atom must be 0.98 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural V4Cr4O12
_chemical_formula_sum "V4 Cr4 O12"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_group_n... | data_image0
_chemical_formula_structural V4Cr4O12Mn
_chemical_formula_sum "V4 Cr4 O12 Mn1"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_g... |
InsertBetweenAtomsAction | c10dc981-c631-4b02-b4b3-82f6fc673b11 | mp-1196228 | Insert a Bi atom in the line between atoms at indices 52 and 37, and the inserted atom must be 4.49 angstrom from atom at 52 in the cif file. | data_image0
_chemical_formula_structural V12Fe8O48
_chemical_formula_sum "V12 Fe8 O48"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_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 V12Fe8O48Bi
_chemical_formula_sum "V12 Fe8 O48 Bi1"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_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 | 3b5d5445-4d34-4409-9c67-505cb30ed2d6 | mp-1192151 | Insert a Ru atom in the line between atoms at indices 9 and 12, and the inserted atom must be 3.05 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn10As8Ru
_chemical_formula_sum "Rb4 Zn10 As8 Ru1"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_gro... |
InsertBetweenAtomsAction | d4e37e05-eb82-49a0-890a-aa5f9845b8cb | mp-1520792 | Insert a Pt atom in the line between atoms at indices 1 and 7, and the inserted atom must be 1.72 angstrom from atom at 1 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 KLaZrTiO6Pt
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6 Pt1"
_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 ... |
InsertBetweenAtomsAction | 3dc899f5-0411-4325-ba69-fc02f2edb3cd | mp-1521867 | Insert a Am atom in the line between atoms at indices 2 and 3, and the inserted atom must be 3.57 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KBaNdWO6Am
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6 Am1"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... |
InsertBetweenAtomsAction | e00a4d51-710a-486d-9882-575fa290a61f | mp-23977 | Insert a Ag atom in the line between atoms at indices 29 and 27, and the inserted atom must be 1.53 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_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 H4S28N4Ag
_chemical_formula_sum "H4 S28 N4 Ag1"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_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 | 3024ec3b-5729-4efa-b803-74bf817b2781 | mp-1212516 | Insert a Pa atom in the line between atoms at indices 3 and 27, and the inserted atom must be 1.71 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... | data_image0
_chemical_formula_structural H24C4S4N12O12Pa
_chemical_formula_sum "H24 C4 S4 N12 O12 Pa1"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_gro... |
InsertBetweenAtomsAction | 4b86d608-9c68-4aad-a079-218c93ba0211 | mp-1233561 | Insert a Cd atom in the line between atoms at indices 28 and 22, and the inserted atom must be 1.62 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.368... | data_image0
_chemical_formula_structural MgCo4P8O28Cd
_chemical_formula_sum "Mg1 Co4 P8 O28 Cd1"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma ... |
InsertBetweenAtomsAction | f1d3918e-e80c-4def-b8ab-8d5161fb0712 | mp-1371279 | Insert a Og atom in the line between atoms at indices 11 and 6, and the inserted atom must be 0.89 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Zn4Sn4O10
_chemical_formula_sum "Zn4 Sn4 O10"
_cell_length_a 3.306152
_cell_length_b 6.356792
_cell_length_c 12.05558
_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 Zn4Sn4O10Og
_chemical_formula_sum "Zn4 Sn4 O10 Og1"
_cell_length_a 3.306152
_cell_length_b 6.356792
_cell_length_c 12.05558
_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 | edf19011-20ff-4a52-af37-abdd630be9ef | mp-1103256 | Insert a Bh atom in the line between atoms at indices 9 and 5, and the inserted atom must be 0.73 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe4Sb4Se4Bh
_chemical_formula_sum "Fe4 Sb4 Se4 Bh1"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 63c7b288-0f64-424e-b845-caba65742575 | mp-23702 | Insert a Co atom in the line between atoms at indices 7 and 0, and the inserted atom must be 0.29 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li4H8N4Co
_chemical_formula_sum "Li4 H8 N4 Co1"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_s... |
InsertBetweenAtomsAction | 8ba6a915-3cd4-4171-a48e-0d6105b59d84 | mp-1190979 | Insert a Tm atom in the line between atoms at indices 8 and 16, and the inserted atom must be 1.41 angstrom from atom at 8 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 Sc16Ir8Tm
_chemical_formula_sum "Sc16 Ir8 Tm1"
_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 | 56e79e95-9d21-4165-8ed4-50b2aa0f592a | mp-1032565 | Insert a Pa atom in the line between atoms at indices 6 and 15, and the inserted atom must be 2.10 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mg6ZnBiO8Pa
_chemical_formula_sum "Mg6 Zn1 Bi1 O8 Pa1"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 16ab37f5-1315-4da7-acda-611ba4c27137 | mp-761075 | Insert a Pu atom in the line between atoms at indices 36 and 6, and the inserted atom must be 3.85 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... | data_image0
_chemical_formula_structural Ni4P16O44Pu
_chemical_formula_sum "Ni4 P16 O44 Pu1"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
... |
InsertBetweenAtomsAction | 8255b8f8-0643-4315-bf21-b9bbd3f73443 | mp-34195 | Insert a U atom in the line between atoms at indices 1 and 0, and the inserted atom must be 2.16 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2C2O6U
_chemical_formula_sum "Ba2 C2 O6 U1"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 19dd78b6-b467-4f4c-922d-d1cbd9fed735 | mp-1235319 | Insert a Th atom in the line between atoms at indices 18 and 15, and the inserted atom must be 1.72 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural LiSc4Fe4O12
_chemical_formula_sum "Li1 Sc4 Fe4 O12"
_cell_length_a 5.12678458
_cell_length_b 5.4436032
_cell_length_c 8.04653984
_cell_angle_alpha 90.16735254
_cell_angle_beta 91.99021394
_cell_angle_gamma 88.80830664000001
_space_... | data_image0
_chemical_formula_structural LiSc4Fe4O12Th
_chemical_formula_sum "Li1 Sc4 Fe4 O12 Th1"
_cell_length_a 5.12678458
_cell_length_b 5.4436032
_cell_length_c 8.04653984
_cell_angle_alpha 90.16735254
_cell_angle_beta 91.99021394
_cell_angle_gamma 88.80830664000001
_... |
InsertBetweenAtomsAction | fc6cc9a3-66e2-4b54-9fd5-df0f777cb261 | mp-1196015 | Insert a Fm atom in the line between atoms at indices 8 and 10, and the inserted atom must be 4.78 angstrom from atom at 8 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 Cs8P4Au4S16Fm
_chemical_formula_sum "Cs8 P4 Au4 S16 Fm1"
_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 | 556c43e5-722f-4960-9e79-24582bbe1062 | mp-1112637 | Insert a Po atom in the line between atoms at indices 6 and 1, and the inserted atom must be 1.61 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Cs2TlCuF6
_chemical_formula_sum "Cs2 Tl1 Cu1 F6"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Cs2TlCuF6Po
_chemical_formula_sum "Cs2 Tl1 Cu1 F6 Po1"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... |
InsertBetweenAtomsAction | 025876ad-4ac1-4dc0-b8ba-da9a57266d41 | mp-1209004 | Insert a Pu atom in the line between atoms at indices 8 and 4, and the inserted atom must be 3.06 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10Pu
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10 Pu1"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_spa... |
InsertBetweenAtomsAction | 7dc8253c-e9db-4647-8d3a-c60dcc5c9640 | mp-758495 | Insert a Pa atom in the line between atoms at indices 26 and 19, and the inserted atom must be 5.73 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O28Pa
_chemical_formula_sum "Li8 Co8 C8 O28 Pa1"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 3d6b4d69-ba9e-4120-9147-25c17d3d3939 | mp-25273 | Insert a Al atom in the line between atoms at indices 8 and 10, and the inserted atom must be 1.41 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural LiMo3O8
_chemical_formula_sum "Li1 Mo3 O8"
_cell_length_a 6.06688934
_cell_length_b 6.06688934
_cell_length_c 6.06688936
_cell_angle_alpha 61.23775104
_cell_angle_beta 61.23775104
_cell_angle_gamma 61.23774855
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiMo3O8Al
_chemical_formula_sum "Li1 Mo3 O8 Al1"
_cell_length_a 6.06688934
_cell_length_b 6.06688934
_cell_length_c 6.06688936
_cell_angle_alpha 61.23775104
_cell_angle_beta 61.23775104
_cell_angle_gamma 61.23774855
_space_group_na... |
InsertBetweenAtomsAction | 344063ce-1e4b-449b-81a5-8004d4322b1f | mp-779625 | Insert a Nd atom in the line between atoms at indices 35 and 69, and the inserted atom must be 2.36 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Li16Mn8P12O48
_chemical_formula_sum "Li16 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li16Mn8P12O48Nd
_chemical_formula_sum "Li16 Mn8 P12 O48 Nd1"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 5caa10ce-de4f-4a51-99fe-82502d2fecb4 | mp-1519381 | Insert a Fe atom in the line between atoms at indices 9 and 5, and the inserted atom must be 0.69 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural SrCaPrSbO6
_chemical_formula_sum "Sr1 Ca1 Pr1 Sb1 O6"
_cell_length_a 5.88812195
_cell_length_b 5.88812195
_cell_length_c 5.88812195
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural SrCaPrSbO6Fe
_chemical_formula_sum "Sr1 Ca1 Pr1 Sb1 O6 Fe1"
_cell_length_a 5.88812195
_cell_length_b 5.88812195
_cell_length_c 5.88812195
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... |
InsertBetweenAtomsAction | 9e1e43ca-82b9-4eec-9515-53ec4850fe41 | mp-1199066 | Insert a Bi atom in the line between atoms at indices 39 and 8, and the inserted atom must be 4.95 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Eu8B8O22F4
_chemical_formula_sum "Eu8 B8 O22 F4"
_cell_length_a 7.38493748
_cell_length_b 7.38493748
_cell_length_c 13.944672270000002
_cell_angle_alpha 89.11157898
_cell_angle_beta 89.11157898
_cell_angle_gamma 37.38706046
_space_... | data_image0
_chemical_formula_structural Eu8B8O22F4Bi
_chemical_formula_sum "Eu8 B8 O22 F4 Bi1"
_cell_length_a 7.38493748
_cell_length_b 7.38493748
_cell_length_c 13.944672270000002
_cell_angle_alpha 89.11157898
_cell_angle_beta 89.11157898
_cell_angle_gamma 37.38706046
_... |
InsertBetweenAtomsAction | fd490a96-5258-44b6-8d14-0bab786266eb | mp-1078410 | Insert a Es atom in the line between atoms at indices 6 and 3, and the inserted atom must be 1.02 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ba2ZnTeO6
_chemical_formula_sum "Ba2 Zn1 Te1 O6"
_cell_length_a 5.84283748
_cell_length_b 5.84283748
_cell_length_c 5.84283748
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Ba2ZnTeO6Es
_chemical_formula_sum "Ba2 Zn1 Te1 O6 Es1"
_cell_length_a 5.84283748
_cell_length_b 5.84283748
_cell_length_c 5.84283748
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | 1c83f000-2612-4826-bc15-80b3aa18cf06 | mp-1193804 | Insert a Og atom in the line between atoms at indices 25 and 9, and the inserted atom must be 7.56 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Pr12Ga8Ni8
_chemical_formula_sum "Pr12 Ga8 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_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 Pr12Ga8Ni8Og
_chemical_formula_sum "Pr12 Ga8 Ni8 Og1"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | e774149c-71a0-455c-baaf-02c2cdd5464c | mp-760489 | Insert a Ag atom in the line between atoms at indices 17 and 2, and the inserted atom must be 3.38 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural P2H12N2O4
_chemical_formula_sum "P2 H12 N2 O4"
_cell_length_a 6.94446242
_cell_length_b 6.94446242
_cell_length_c 4.049551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.35006993
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural P2H12N2O4Ag
_chemical_formula_sum "P2 H12 N2 O4 Ag1"
_cell_length_a 6.94446242
_cell_length_b 6.94446242
_cell_length_c 4.049551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.35006993
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3259f505-31f8-4796-92f8-bac20e3a0f91 | mp-25946 | Insert a Os atom in the line between atoms at indices 8 and 42, and the inserted atom must be 4.76 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sb4P10O32
_chemical_formula_sum "Sb4 P10 O32"
_cell_length_a 10.443986
_cell_length_b 7.564572
_cell_length_c 10.70179358
_cell_angle_alpha 69.2391077
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb4P10O32Os
_chemical_formula_sum "Sb4 P10 O32 Os1"
_cell_length_a 10.443986
_cell_length_b 7.564572
_cell_length_c 10.70179358
_cell_angle_alpha 69.2391077
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | d107b0f8-dc2f-446e-b462-dbf07057a87b | mp-1027923 | Insert a B atom in the line between atoms at indices 1 and 12, and the inserted atom must be 1.99 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrMg14ZrB
_chemical_formula_sum "Sr1 Mg14 Zr1 B1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ac54672d-fc6d-4fff-a877-063fdb2d1b66 | mp-759739 | Insert a Fl atom in the line between atoms at indices 14 and 4, and the inserted atom must be 3.78 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6O3F15Fl
_chemical_formula_sum "V6 O3 F15 Fl1"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 9bdf5c88-6ac3-4d79-a91c-69f7b408733e | mp-752621 | Insert a Nb atom in the line between atoms at indices 27 and 28, and the inserted atom must be 4.32 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li6Fe2B8O18
_chemical_formula_sum "Li6 Fe2 B8 O18"
_cell_length_a 8.715265
_cell_length_b 5.713325
_cell_length_c 6.78721015
_cell_angle_alpha 78.52081286
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li6Fe2B8O18Nb
_chemical_formula_sum "Li6 Fe2 B8 O18 Nb1"
_cell_length_a 8.715265
_cell_length_b 5.713325
_cell_length_c 6.78721015
_cell_angle_alpha 78.52081286
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 590e25be-c55e-4366-a426-bab09a7c8ad6 | mp-1235953 | Insert a Lu atom in the line between atoms at indices 0 and 3, and the inserted atom must be 0.44 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural K2LiNb2P2C2O14
_chemical_formula_sum "K2 Li1 Nb2 P2 C2 O14"
_cell_length_a 10.52196763
_cell_length_b 6.6069197299999995
_cell_length_c 5.28292177
_cell_angle_alpha 89.81845657000001
_cell_angle_beta 87.54113494000002
_cell_angle_gamma... | data_image0
_chemical_formula_structural K2LiNb2P2C2O14Lu
_chemical_formula_sum "K2 Li1 Nb2 P2 C2 O14 Lu1"
_cell_length_a 10.52196763
_cell_length_b 6.6069197299999995
_cell_length_c 5.28292177
_cell_angle_alpha 89.81845657000001
_cell_angle_beta 87.54113494000002
_cell_angle... |
InsertBetweenAtomsAction | bb6505d2-08da-4168-adb6-42e6a1b0321e | mp-1022061 | Insert a Ra atom in the line between atoms at indices 4 and 6, and the inserted atom must be 3.93 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural La2Mg12Ni2
_chemical_formula_sum "La2 Mg12 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 La2Mg12Ni2Ra
_chemical_formula_sum "La2 Mg12 Ni2 Ra1"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 7c2e4834-d6ba-4f00-9bec-be92d24b3ba8 | mp-572465 | Insert a Nb atom in the line between atoms at indices 18 and 20, and the inserted atom must be 1.03 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24Nb
_chemical_formula_sum "Cr4 Cu4 P8 S24 Nb1"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 6ae0e170-a64d-441e-9cf5-56fc720e5828 | mp-531527 | Insert a Mc atom in the line between atoms at indices 33 and 36, and the inserted atom must be 0.56 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Ba3Ti20O40
_chemical_formula_sum "Ba3 Ti20 O40"
_cell_length_a 10.27568035
_cell_length_b 10.27568035
_cell_length_c 10.03228949
_cell_angle_alpha 61.29334600000001
_cell_angle_beta 61.29334600000001
_cell_angle_gamma 92.2357216
_s... | data_image0
_chemical_formula_structural Ba3Ti20O40Mc
_chemical_formula_sum "Ba3 Ti20 O40 Mc1"
_cell_length_a 10.27568035
_cell_length_b 10.27568035
_cell_length_c 10.03228949
_cell_angle_alpha 61.29334600000001
_cell_angle_beta 61.29334600000001
_cell_angle_gamma 92.23572... |
InsertBetweenAtomsAction | d248d20b-61cd-40d7-a836-0a4249e7c880 | mp-20268 | Insert a Pb atom in the line between atoms at indices 9 and 1, and the inserted atom must be 0.77 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4Pd4Pb
_chemical_formula_sum "Ti4 Ge4 Pd4 Pb1"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.9999996699... |
InsertBetweenAtomsAction | 18db8332-5c49-427b-bb03-aaab718961a9 | mp-759863 | Insert a Re atom in the line between atoms at indices 9 and 11, and the inserted atom must be 2.68 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Na4V2O6
_chemical_formula_sum "Na4 V2 O6"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... | data_image0
_chemical_formula_structural Na4V2O6Re
_chemical_formula_sum "Na4 V2 O6 Re1"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_gro... |
InsertBetweenAtomsAction | 46d2e78a-7014-4d62-bdfc-83e5d718a542 | mp-1212483 | Insert a Pa atom in the line between atoms at indices 49 and 11, and the inserted atom must be 3.08 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28Pa
_chemical_formula_sum "Hg16 P4 H4 N4 O28 Pa1"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | aa25d787-5047-4557-8056-487354d8540c | mp-1209474 | Insert a W atom in the line between atoms at indices 9 and 10, and the inserted atom must be 3.85 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... | data_image0
_chemical_formula_structural Sm4Ni4Pb4W
_chemical_formula_sum "Sm4 Ni4 Pb4 W1"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_g... |
InsertBetweenAtomsAction | e3149be6-c46a-4ced-9cfa-b1340a33caa9 | mp-1204342 | Insert a Rh atom in the line between atoms at indices 59 and 29, and the inserted atom must be 0.79 angstrom from atom at 59 in the cif file. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32Rh
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32 Rh1"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
InsertBetweenAtomsAction | 37da8b6a-2040-417d-8ea9-2646f7c061b0 | mp-767632 | Insert a Xe atom in the line between atoms at indices 22 and 19, and the inserted atom must be 2.63 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16Xe
_chemical_formula_sum "V4 P4 O16 Xe1"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_gr... |
InsertBetweenAtomsAction | 52789ad9-d146-4f12-87e8-1795b1b33e08 | mp-1174010 | Insert a Bk atom in the line between atoms at indices 5 and 7, and the inserted atom must be 1.89 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 3.027597
_cell_length_b 5.081402820000001
_cell_length_c 12.403117880000002
_cell_angle_alpha 100.73363916
_cell_angle_beta 87.87144722
_cell_angle_gamma 103.019523... | data_image0
_chemical_formula_structural Li6Mn2Co2O10Bk
_chemical_formula_sum "Li6 Mn2 Co2 O10 Bk1"
_cell_length_a 3.027597
_cell_length_b 5.081402820000001
_cell_length_c 12.403117880000002
_cell_angle_alpha 100.73363916
_cell_angle_beta 87.87144722
_cell_angle_gamma 103.... |
InsertBetweenAtomsAction | 39427833-da2e-4099-836a-2ab825e00ea0 | mp-568595 | Insert a Dy atom in the line between atoms at indices 5 and 13, and the inserted atom must be 2.89 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Re8Si14
_chemical_formula_sum "Re8 Si14"
_cell_length_a 11.80895754
_cell_length_b 11.80895754
_cell_length_c 8.372270209999998
_cell_angle_alpha 87.41781667
_cell_angle_beta 87.41781667
_cell_angle_gamma 15.289560639999978
_space_... | data_image0
_chemical_formula_structural Re8Si14Dy
_chemical_formula_sum "Re8 Si14 Dy1"
_cell_length_a 11.80895754
_cell_length_b 11.80895754
_cell_length_c 8.372270209999998
_cell_angle_alpha 87.41781667
_cell_angle_beta 87.41781667
_cell_angle_gamma 15.289560639999978
_... |
InsertBetweenAtomsAction | ca83a2f6-ccc3-4409-9405-1b80e8d91fa4 | mp-558681 | Insert a I atom in the line between atoms at indices 18 and 7, and the inserted atom must be 0.87 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F16I
_chemical_formula_sum "P8 Cl8 O8 F16 I1"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 6d7c6b28-c559-4cec-a75c-8e8965ccb846 | mp-1205760 | Insert a Os atom in the line between atoms at indices 9 and 2, and the inserted atom must be 0.26 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sr2LuNbO6
_chemical_formula_sum "Sr2 Lu1 Nb1 O6"
_cell_length_a 5.89116681
_cell_length_b 5.89116681
_cell_length_c 5.89116681
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Sr2LuNbO6Os
_chemical_formula_sum "Sr2 Lu1 Nb1 O6 Os1"
_cell_length_a 5.89116681
_cell_length_b 5.89116681
_cell_length_c 5.89116681
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | da6debc4-fb54-4dbb-bfa1-0e77f9b011f3 | mp-1190262 | Insert a Pu atom in the line between atoms at indices 15 and 8, and the inserted atom must be 4.85 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2Pu
_chemical_formula_sum "Zr10 Sb6 Ru2 Pu1"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H... |
InsertBetweenAtomsAction | 62ac50a1-d928-428f-a855-514a9aaeb0d5 | mp-1200769 | Insert a Rb atom in the line between atoms at indices 35 and 22, and the inserted atom must be 5.15 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Yb3Ga24Cu12
_chemical_formula_sum "Yb3 Ga24 Cu12"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_gr... | data_image0
_chemical_formula_structural Yb3Ga24Cu12Rb
_chemical_formula_sum "Yb3 Ga24 Cu12 Rb1"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_sp... |
InsertBetweenAtomsAction | 57b0ba96-4eab-4ce0-95a2-82490fd3301c | mp-1211974 | Insert a W atom in the line between atoms at indices 10 and 9, and the inserted atom must be 1.31 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural InS2NO8
_chemical_formula_sum "In1 S2 N1 O8"
_cell_length_a 4.96153941
_cell_length_b 4.96153941
_cell_length_c 8.92500071
_cell_angle_alpha 73.86166951999999
_cell_angle_beta 73.86166951999999
_cell_angle_gamma 60.00000787
_space_... | data_image0
_chemical_formula_structural InS2NO8W
_chemical_formula_sum "In1 S2 N1 O8 W1"
_cell_length_a 4.96153941
_cell_length_b 4.96153941
_cell_length_c 8.92500071
_cell_angle_alpha 73.86166951999999
_cell_angle_beta 73.86166951999999
_cell_angle_gamma 60.00000787
_sp... |
InsertBetweenAtomsAction | b6812d21-f3f6-4222-9cb2-8efb6ed43399 | mp-1037998 | Insert a Db atom in the line between atoms at indices 31 and 9, and the inserted atom must be 1.66 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 Mg30AlCdO32Db
_chemical_formula_sum "Mg30 Al1 Cd1 O32 Db1"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 6bd2a39d-605a-4d8c-9216-d5aa15e4ea6f | mp-1202419 | Insert a Th atom in the line between atoms at indices 24 and 6, and the inserted atom must be 3.83 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Ca2Re4C10N20O26
_chemical_formula_sum "Ca2 Re4 C10 N20 O26"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... | data_image0
_chemical_formula_structural Ca2Re4C10N20O26Th
_chemical_formula_sum "Ca2 Re4 C10 N20 O26 Th1"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1... |
InsertBetweenAtomsAction | 4bb91c76-39b8-4cef-82d2-a82c9850e3f6 | mp-2234075 | Insert a Ag atom in the line between atoms at indices 0 and 7, and the inserted atom must be 1.55 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural MgScNi2SbO6
_chemical_formula_sum "Mg1 Sc1 Ni2 Sb1 O6"
_cell_length_a 5.3578386
_cell_length_b 5.3553402
_cell_length_c 5.99123202
_cell_angle_alpha 63.50255283999999
_cell_angle_beta 63.50103803999999
_cell_angle_gamma 59.98045332
... | data_image0
_chemical_formula_structural MgScNi2SbO6Ag
_chemical_formula_sum "Mg1 Sc1 Ni2 Sb1 O6 Ag1"
_cell_length_a 5.3578386
_cell_length_b 5.3553402
_cell_length_c 5.99123202
_cell_angle_alpha 63.50255283999999
_cell_angle_beta 63.50103803999999
_cell_angle_gamma 59.980... |
InsertBetweenAtomsAction | 62e2d2b2-d236-4b1b-a1ff-8875c59ccb35 | mp-776226 | Insert a Sr atom in the line between atoms at indices 7 and 18, and the inserted atom must be 1.09 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Hf16N16O8
_chemical_formula_sum "Hf16 N16 O8"
_cell_length_a 8.64803569
_cell_length_b 8.675023070000002
_cell_length_c 8.68143733
_cell_angle_alpha 109.54989756
_cell_angle_beta 109.52119125
_cell_angle_gamma 109.23362109
_space_g... | data_image0
_chemical_formula_structural Hf16N16O8Sr
_chemical_formula_sum "Hf16 N16 O8 Sr1"
_cell_length_a 8.64803569
_cell_length_b 8.675023070000002
_cell_length_c 8.68143733
_cell_angle_alpha 109.54989756
_cell_angle_beta 109.52119125
_cell_angle_gamma 109.23362109
_s... |
InsertBetweenAtomsAction | 75817355-8f28-49f9-bc3e-0f4d7286bb7b | mp-2230889 | Insert a Mg atom in the line between atoms at indices 15 and 11, and the inserted atom must be 0.39 angstrom from atom at 15 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 MgV5FeO12Mg
_chemical_formula_sum "Mg2 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
_spac... |
InsertBetweenAtomsAction | bd8cef9f-15a8-48c7-bf16-2fe2ec0ac8aa | mp-1175749 | Insert a Rn atom in the line between atoms at indices 24 and 21, and the inserted atom must be 3.43 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Rn
_chemical_formula_sum "Li9 Mn2 Co5 O16 Rn1"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16... |
InsertBetweenAtomsAction | b265fb6b-5107-4700-93b4-cf6ccbb217e8 | mp-758717 | Insert a Nd atom in the line between atoms at indices 25 and 37, and the inserted atom must be 4.78 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Co4C8O24Nd
_chemical_formula_sum "Li2 Co4 C8 O24 Nd1"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | f7971ac1-1309-4534-a673-1a449e26bba7 | mp-722910 | Insert a B atom in the line between atoms at indices 15 and 18, and the inserted atom must be 1.29 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10N2O4B
_chemical_formula_sum "K4 B13 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7119cfd9-eb13-4244-9727-293a3af9dd6f | mp-1113451 | Insert a Cl atom in the line between atoms at indices 0 and 8, and the inserted atom must be 1.54 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Cs2ScAgBr6
_chemical_formula_sum "Cs2 Sc1 Ag1 Br6"
_cell_length_a 7.8941599
_cell_length_b 7.8941599
_cell_length_c 7.8941599
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Cs2ScAgBr6Cl
_chemical_formula_sum "Cs2 Sc1 Ag1 Br6 Cl1"
_cell_length_a 7.8941599
_cell_length_b 7.8941599
_cell_length_c 7.8941599
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
InsertBetweenAtomsAction | ad5ce5f3-63c6-459d-af55-806f913b2056 | mp-12611 | Insert a B atom in the line between atoms at indices 2 and 3, and the inserted atom must be 2.23 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ca3Ga8
_chemical_formula_sum "Ca3 Ga8"
_cell_length_a 4.26788338
_cell_length_b 4.29781021
_cell_length_c 13.10926426
_cell_angle_alpha 99.43465476
_cell_angle_beta 99.36835284000001
_cell_angle_gamma 90.00000172
_space_group_name_... | data_image0
_chemical_formula_structural Ca3Ga8B
_chemical_formula_sum "Ca3 Ga8 B1"
_cell_length_a 4.26788338
_cell_length_b 4.29781021
_cell_length_c 13.10926426
_cell_angle_alpha 99.43465476
_cell_angle_beta 99.36835284000001
_cell_angle_gamma 90.00000172
_space_group_n... |
InsertBetweenAtomsAction | b3c6f727-a70e-4186-b0c1-7d502b6036e7 | mp-768696 | Insert a U atom in the line between atoms at indices 3 and 21, and the inserted atom must be 0.65 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li6Cr6Fe2O16
_chemical_formula_sum "Li6 Cr6 Fe2 O16"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... | data_image0
_chemical_formula_structural Li6Cr6Fe2O16U
_chemical_formula_sum "Li6 Cr6 Fe2 O16 U1"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_... |
InsertBetweenAtomsAction | 9f478e00-dfcf-46ab-b0d6-67dfc5513777 | mp-985591 | Insert a Cs atom in the line between atoms at indices 7 and 0, and the inserted atom must be 0.82 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural Li6PS5BrCs
_chemical_formula_sum "Li6 P1 S5 Br1 Cs1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 207c87a0-7917-4600-91fe-dfe547d0aadf | mp-766542 | Insert a Al atom in the line between atoms at indices 24 and 21, and the inserted atom must be 0.69 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 Li4Fe4Si4O16Al
_chemical_formula_sum "Li4 Fe4 Si4 O16 Al1"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | ff858a82-a792-49c4-9849-d474ef387c09 | mp-780315 | Insert a Zn atom in the line between atoms at indices 18 and 2, and the inserted atom must be 1.66 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... | data_image0
_chemical_formula_structural Li4Cr2Fe3O10Zn
_chemical_formula_sum "Li4 Cr2 Fe3 O10 Zn1"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
... |
InsertBetweenAtomsAction | ad682167-4263-4e1e-af07-f460c14c6f0b | mp-1245070 | Insert a Gd atom in the line between atoms at indices 78 and 6, and the inserted atom must be 8.23 angstrom from atom at 78 in the cif file. | data_image0
_chemical_formula_structural Zn50S50
_chemical_formula_sum "Zn50 S50"
_cell_length_a 13.63140563
_cell_length_b 14.017072280000002
_cell_length_c 12.744054180000001
_cell_angle_alpha 90.14536832
_cell_angle_beta 90.00963385
_cell_angle_gamma 89.63804257000001
... | data_image0
_chemical_formula_structural Zn50S50Gd
_chemical_formula_sum "Zn50 S50 Gd1"
_cell_length_a 13.63140563
_cell_length_b 14.017072280000002
_cell_length_c 12.744054180000001
_cell_angle_alpha 90.14536832
_cell_angle_beta 90.00963385
_cell_angle_gamma 89.6380425700... |
InsertBetweenAtomsAction | e3bc115b-20fe-4b8d-a47d-e52154300686 | mp-673174 | Insert a Eu atom in the line between atoms at indices 13 and 23, and the inserted atom must be 3.31 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe24N9Eu
_chemical_formula_sum "Fe24 N9 Eu1"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
... |
InsertBetweenAtomsAction | 6ab02eb5-ef83-4186-9fe3-dc1f5fe2f951 | mp-1203548 | Insert a Mt atom in the line between atoms at indices 6 and 1, and the inserted atom must be 2.95 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Cd6Se8O24
_chemical_formula_sum "Cd6 Se8 O24"
_cell_length_a 9.535666
_cell_length_b 7.426734
_cell_length_c 9.487163359999998
_cell_angle_alpha 66.99712660999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd6Se8O24Mt
_chemical_formula_sum "Cd6 Se8 O24 Mt1"
_cell_length_a 9.535666
_cell_length_b 7.426734
_cell_length_c 9.487163359999998
_cell_angle_alpha 66.99712660999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | f4d9d0ad-1c5e-42f8-8e82-e51cb9cc8565 | mp-1247259 | Insert a Ir atom in the line between atoms at indices 3 and 2, and the inserted atom must be 1.03 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N6Ir
_chemical_formula_sum "Ca6 Rh2 N6 Ir1"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M... |
InsertBetweenAtomsAction | 14def3f5-2243-4c1b-b48b-c3928fe7a73e | mp-1209956 | Insert a Sg atom in the line between atoms at indices 6 and 9, and the inserted atom must be 2.76 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural NaTbPd6O8
_chemical_formula_sum "Na1 Tb1 Pd6 O8"
_cell_length_a 5.835133
_cell_length_b 5.835133
_cell_length_c 5.835133
_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 NaTbPd6O8Sg
_chemical_formula_sum "Na1 Tb1 Pd6 O8 Sg1"
_cell_length_a 5.835133
_cell_length_b 5.835133
_cell_length_c 5.835133
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | dbeea901-2708-4e7d-b906-a3fe44c17c0e | mp-1204445 | Insert a Ag atom in the line between atoms at indices 1 and 24, and the inserted atom must be 1.91 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Th2H4S6O24
_chemical_formula_sum "Th2 H4 S6 O24"
_cell_length_a 5.790092
_cell_length_b 9.23420924
_cell_length_c 9.80005057
_cell_angle_alpha 65.03082046000002
_cell_angle_beta 87.90115954
_cell_angle_gamma 89.00970674
_space_grou... | data_image0
_chemical_formula_structural Th2H4S6O24Ag
_chemical_formula_sum "Th2 H4 S6 O24 Ag1"
_cell_length_a 5.790092
_cell_length_b 9.23420924
_cell_length_c 9.80005057
_cell_angle_alpha 65.03082046000002
_cell_angle_beta 87.90115954
_cell_angle_gamma 89.00970674
_spac... |
InsertBetweenAtomsAction | 007e4516-59f2-40f1-b445-7cd4eb625a91 | mp-755220 | Insert a Gd atom in the line between atoms at indices 7 and 12, and the inserted atom must be 2.53 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li3CrNi3O8
_chemical_formula_sum "Li3 Cr1 Ni3 O8"
_cell_length_a 5.83594517
_cell_length_b 5.83594517
_cell_length_c 5.84957653
_cell_angle_alpha 60.50939455000001
_cell_angle_beta 60.50939455000001
_cell_angle_gamma 59.17975227
_s... | data_image0
_chemical_formula_structural Li3CrNi3O8Gd
_chemical_formula_sum "Li3 Cr1 Ni3 O8 Gd1"
_cell_length_a 5.83594517
_cell_length_b 5.83594517
_cell_length_c 5.84957653
_cell_angle_alpha 60.50939455000001
_cell_angle_beta 60.50939455000001
_cell_angle_gamma 59.179752... |
InsertBetweenAtomsAction | f05f52b2-1f5a-4a23-b644-d17b0905ccd9 | mp-28295 | Insert a Np atom in the line between atoms at indices 9 and 4, and the inserted atom must be 2.37 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cs2I2O6
_chemical_formula_sum "Cs2 I2 O6"
_cell_length_a 4.66904371
_cell_length_b 6.601774169999999
_cell_length_c 6.61473721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99353567
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2I2O6Np
_chemical_formula_sum "Cs2 I2 O6 Np1"
_cell_length_a 4.66904371
_cell_length_b 6.601774169999999
_cell_length_c 6.61473721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99353567
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 040e6ff0-43ab-4ed3-83b5-f42c9d46a06c | mp-1200879 | Insert a Au atom in the line between atoms at indices 23 and 28, and the inserted atom must be 2.68 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Y6Ge26Pt8
_chemical_formula_sum "Y6 Ge26 Pt8"
_cell_length_a 9.10970153
_cell_length_b 9.10970153
_cell_length_c 9.17047569
_cell_angle_alpha 89.65004786
_cell_angle_beta 89.65004786
_cell_angle_gamma 89.92926009000001
_space_group... | data_image0
_chemical_formula_structural Y6Ge26Pt8Au
_chemical_formula_sum "Y6 Ge26 Pt8 Au1"
_cell_length_a 9.10970153
_cell_length_b 9.10970153
_cell_length_c 9.17047569
_cell_angle_alpha 89.65004786
_cell_angle_beta 89.65004786
_cell_angle_gamma 89.92926009000001
_space... |
InsertBetweenAtomsAction | a7d73700-94eb-47d1-af18-2c32e7f18411 | mp-1026800 | Insert a Mo atom in the line between atoms at indices 5 and 4, and the inserted atom must be 0.61 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg14SiC
_chemical_formula_sum "Mg14 Si1 C1"
_cell_length_a 6.37468633
_cell_length_b 7.79018563
_cell_length_c 8.47410854
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.66366127
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mg14SiCMo
_chemical_formula_sum "Mg14 Si1 C1 Mo1"
_cell_length_a 6.37468633
_cell_length_b 7.79018563
_cell_length_c 8.47410854
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.66366127
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | adb90856-0c6f-458e-8202-f09663d52730 | mp-756068 | Insert a Pm atom in the line between atoms at indices 22 and 5, and the inserted atom must be 2.84 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Li4V4O4F12
_chemical_formula_sum "Li4 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 Li4V4O4F12Pm
_chemical_formula_sum "Li4 V4 O4 F12 Pm1"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | ef5eb6ff-ca82-4912-b904-1d593838309b | mp-600154 | Insert a Ag atom in the line between atoms at indices 27 and 12, and the inserted atom must be 10.00 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural K4Cu2H16C8O24
_chemical_formula_sum "K4 Cu2 H16 C8 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural K4Cu2H16C8O24Ag
_chemical_formula_sum "K4 Cu2 H16 C8 O24 Ag1"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
InsertBetweenAtomsAction | ccb22568-2554-4c2f-bc54-a4e572491ffb | mp-1022597 | Insert a As atom in the line between atoms at indices 9 and 7, and the inserted atom must be 2.56 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li2Mg12Zn2
_chemical_formula_sum "Li2 Mg12 Zn2"
_cell_length_a 5.039699
_cell_length_b 6.281844
_cell_length_c 10.75027
_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 Li2Mg12Zn2As
_chemical_formula_sum "Li2 Mg12 Zn2 As1"
_cell_length_a 5.039699
_cell_length_b 6.281844
_cell_length_c 10.75027
_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 | fcd8e9fa-0965-4eaa-841c-ddd54ffc484d | mp-1180177 | Insert a Mt atom in the line between atoms at indices 13 and 1, and the inserted atom must be 4.82 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Mn4N4Cl12
_chemical_formula_sum "Mn4 N4 Cl12"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4N4Cl12Mt
_chemical_formula_sum "Mn4 N4 Cl12 Mt1"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 6b66002e-6184-4c36-9e98-a479ec47bd45 | mp-1175386 | Insert a H atom in the line between atoms at indices 27 and 20, and the inserted atom must be 5.76 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.044997
_cell_length_b 6.58957371
_cell_length_c 8.8970701
_cell_angle_alpha 97.82224007
_cell_angle_beta 96.29207072000001
_cell_angle_gamma 97.54886918
_space_g... | data_image0
_chemical_formula_structural Li9Mn2Co5O16H
_chemical_formula_sum "Li9 Mn2 Co5 O16 H1"
_cell_length_a 5.044997
_cell_length_b 6.58957371
_cell_length_c 8.8970701
_cell_angle_alpha 97.82224007
_cell_angle_beta 96.29207072000001
_cell_angle_gamma 97.54886918
_spa... |
InsertBetweenAtomsAction | 0093ab97-9064-4ea0-80cc-f2b2728070c7 | mp-18973 | Insert a Ra atom in the line between atoms at indices 18 and 8, and the inserted atom must be 2.16 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20Ra
_chemical_formula_sum "Co4 Se8 O20 Ra1"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073... |
InsertBetweenAtomsAction | 10be26f5-0b37-4598-a27a-d3bbeb90472a | mp-1045114 | Insert a Si atom in the line between atoms at indices 25 and 24, and the inserted atom must be 4.82 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16Si
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16 Si1"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_s... |
InsertBetweenAtomsAction | 8449d63b-e307-49c9-a711-294690ae712f | mp-28457 | Insert a Rg atom in the line between atoms at indices 11 and 33, and the inserted atom must be 2.25 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... | data_image0
_chemical_formula_structural Ba2Ta15O32Rg
_chemical_formula_sum "Ba2 Ta15 O32 Rg1"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675... |
InsertBetweenAtomsAction | f6569cb0-4d9e-4dab-a0f4-b9bfd8c8f9d5 | mp-556103 | Insert a Bi atom in the line between atoms at indices 77 and 74, and the inserted atom must be 3.54 angstrom from atom at 77 in the cif file. | data_image0
_chemical_formula_structural Cs18Ga12F54
_chemical_formula_sum "Cs18 Ga12 F54"
_cell_length_a 11.11359783
_cell_length_b 11.11359783
_cell_length_c 15.215299
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs18Ga12F54Bi
_chemical_formula_sum "Cs18 Ga12 F54 Bi1"
_cell_length_a 11.11359783
_cell_length_b 11.11359783
_cell_length_c 15.215299
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-... |
InsertBetweenAtomsAction | 3d7206f1-e55b-40c1-9883-324086fd26b4 | mp-560175 | Insert a Ac atom in the line between atoms at indices 6 and 5, and the inserted atom must be 5.18 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Na8Th2Mo8O32
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... | data_image0
_chemical_formula_structural Na8Th2Mo8O32Ac
_chemical_formula_sum "Na8 Th2 Mo8 O32 Ac1"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
... |
InsertBetweenAtomsAction | f74b70f7-a9f6-4f90-9f2b-dce5f018aeea | mp-756652 | Insert a Ra atom in the line between atoms at indices 4 and 12, and the inserted atom must be 1.55 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Co4P4O16
_chemical_formula_sum "Co4 P4 O16"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... | data_image0
_chemical_formula_structural Co4P4O16Ra
_chemical_formula_sum "Co4 P4 O16 Ra1"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_sp... |
InsertBetweenAtomsAction | 0b635b34-6d0c-4076-af4f-fef7e10a287e | mp-1046251 | Insert a Es atom in the line between atoms at indices 12 and 15, and the inserted atom must be 0.72 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16Es
_chemical_formula_sum "Ta4 Zn4 W2 O16 Es1"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_s... |
InsertBetweenAtomsAction | 134a9c50-41f7-4cd8-8b36-5d843b8b323f | mp-3855 | Insert a No atom in the line between atoms at indices 16 and 25, and the inserted atom must be 5.03 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Be4F16No
_chemical_formula_sum "Na8 Be4 F16 No1"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 1c8ece55-ad0e-417d-9c9c-81c1f5c7e398 | mp-1203399 | Insert a Kr atom in the line between atoms at indices 24 and 0, and the inserted atom must be 1.15 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Sm3Cd33
_chemical_formula_sum "Sm3 Cd33"
_cell_length_a 9.32185955
_cell_length_b 9.32186058
_cell_length_c 9.32186162
_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 Sm3Cd33Kr
_chemical_formula_sum "Sm3 Cd33 Kr1"
_cell_length_a 9.32185955
_cell_length_b 9.32186058
_cell_length_c 9.32186162
_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 | d2800497-b248-47a5-b500-384b22ea029b | mp-1226097 | Insert a Li atom in the line between atoms at indices 12 and 1, and the inserted atom must be 6.75 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Cr6Co2CuSe12
_chemical_formula_sum "Cr6 Co2 Cu1 Se12"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_grou... | data_image0
_chemical_formula_structural Cr6Co2CuSe12Li
_chemical_formula_sum "Cr6 Co2 Cu1 Se12 Li1"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_spac... |
InsertBetweenAtomsAction | bf13e762-971c-4e35-8f28-25f84c5d36d6 | mp-694989 | Insert a Al atom in the line between atoms at indices 42 and 4, and the inserted atom must be 3.15 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Sr2Nd10Fe12As12O12
_chemical_formula_sum "Sr2 Nd10 Fe12 As12 O12"
_cell_length_a 9.178751
_cell_length_b 10.1941072
_cell_length_c 11.60651037
_cell_angle_alpha 73.43616720999998
_cell_angle_beta 71.52431736
_cell_angle_gamma 68.786... | data_image0
_chemical_formula_structural Sr2Nd10Fe12As12O12Al
_chemical_formula_sum "Sr2 Nd10 Fe12 As12 O12 Al1"
_cell_length_a 9.178751
_cell_length_b 10.1941072
_cell_length_c 11.60651037
_cell_angle_alpha 73.43616720999998
_cell_angle_beta 71.52431736
_cell_angle_gamma ... |
InsertBetweenAtomsAction | f4d5b1df-ba9b-48ec-ba5c-ed0378974ae6 | mp-1102445 | Insert a Cm atom in the line between atoms at indices 1 and 6, and the inserted atom must be 1.47 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Pr3Ni9
_chemical_formula_sum "Pr3 Ni9"
_cell_length_a 5.01960227
_cell_length_b 5.01960227
_cell_length_c 8.70414
_cell_angle_alpha 73.24105786
_cell_angle_beta 73.24105786
_cell_angle_gamma 59.999987250000004
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr3Ni9Cm
_chemical_formula_sum "Pr3 Ni9 Cm1"
_cell_length_a 5.01960227
_cell_length_b 5.01960227
_cell_length_c 8.70414
_cell_angle_alpha 73.24105786
_cell_angle_beta 73.24105786
_cell_angle_gamma 59.999987250000004
_space_group_na... |
InsertBetweenAtomsAction | de9fd15e-74fc-4911-a57e-04c67f7f8a6d | mp-559303 | Insert a Mt atom in the line between atoms at indices 49 and 45, and the inserted atom must be 1.43 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Mo4S12N8Cl32
_chemical_formula_sum "Mo4 S12 N8 Cl32"
_cell_length_a 16.692566
_cell_length_b 7.676201
_cell_length_c 12.989569700000002
_cell_angle_alpha 66.63816147000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Mo4S12N8Cl32Mt
_chemical_formula_sum "Mo4 S12 N8 Cl32 Mt1"
_cell_length_a 16.692566
_cell_length_b 7.676201
_cell_length_c 12.989569700000002
_cell_angle_alpha 66.63816147000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
InsertBetweenAtomsAction | 28e6b9a2-4c4c-463d-b0b0-8deaaa698287 | mp-752 | Insert a La atom in the line between atoms at indices 38 and 34, and the inserted atom must be 11.62 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Mn30Si52
_chemical_formula_sum "Mn30 Si52"
_cell_length_a 5.49601688
_cell_length_b 5.49601714
_cell_length_c 32.7908174
_cell_angle_alpha 94.80726195
_cell_angle_beta 94.80726148
_cell_angle_gamma 90.00000368
_space_group_name_H-M... | data_image0
_chemical_formula_structural Mn30Si52La
_chemical_formula_sum "Mn30 Si52 La1"
_cell_length_a 5.49601688
_cell_length_b 5.49601714
_cell_length_c 32.7908174
_cell_angle_alpha 94.80726195
_cell_angle_beta 94.80726148
_cell_angle_gamma 90.00000368
_space_group_na... |
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