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 | afdff3f1-1645-48be-a659-c41404f7453a | mp-1219272 | Insert a Pb atom in the line between atoms at indices 36 and 22, and the inserted atom must be 6.16 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4Pb
_chemical_formula_sum "Sm4 Cr1 Fe33 C4 Pb1"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space... |
InsertBetweenAtomsAction | 153a1b5f-09aa-4c77-a66e-548b6bcf8cbd | mp-1033845 | Insert a Sr atom in the line between atoms at indices 24 and 21, and the inserted atom must be 5.00 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Mg14BCO16
_chemical_formula_sum "Mg14 B1 C1 O16"
_cell_length_a 8.50440118
_cell_length_b 8.50440118
_cell_length_c 4.19993262
_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 Mg14BCO16Sr
_chemical_formula_sum "Mg14 B1 C1 O16 Sr1"
_cell_length_a 8.50440118
_cell_length_b 8.50440118
_cell_length_c 4.19993262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | e8f158b5-c341-49d5-8252-6300e5f85e92 | mp-558208 | Insert a Co atom in the line between atoms at indices 2 and 20, and the inserted atom must be 1.41 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural Rb4In4As8O28Co
_chemical_formula_sum "Rb4 In4 As8 O28 Co1"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
... |
InsertBetweenAtomsAction | b85e2378-43db-402f-9e93-16dd2ae8e04b | mp-771733 | Insert a Ds atom in the line between atoms at indices 22 and 15, and the inserted atom must be 1.15 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... | data_image0
_chemical_formula_structural Li3MgV8O16Ds
_chemical_formula_sum "Li3 Mg1 V8 O16 Ds1"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_g... |
InsertBetweenAtomsAction | abca4f31-fb6d-4f71-a176-38bcde63e024 | mp-1073003 | Insert a Yb atom in the line between atoms at indices 19 and 14, and the inserted atom must be 4.89 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_gro... | data_image0
_chemical_formula_structural Mg8Si12Yb
_chemical_formula_sum "Mg8 Si12 Yb1"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_spa... |
InsertBetweenAtomsAction | 3ec0733e-0044-401e-966c-788c8e167d19 | mp-542864 | Insert a Pd atom in the line between atoms at indices 51 and 7, and the inserted atom must be 0.45 angstrom from atom at 51 in the cif file. | data_image0
_chemical_formula_structural Na4Ni2H24S4O28
_chemical_formula_sum "Na4 Ni2 H24 S4 O28"
_cell_length_a 11.998646
_cell_length_b 6.011579
_cell_length_c 8.8819732
_cell_angle_alpha 76.01844686
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Na4Ni2H24S4O28Pd
_chemical_formula_sum "Na4 Ni2 H24 S4 O28 Pd1"
_cell_length_a 11.998646
_cell_length_b 6.011579
_cell_length_c 8.8819732
_cell_angle_alpha 76.01844686
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | c0511b3c-f61a-4e48-8454-8e54fa8a0b58 | mp-554739 | Insert a Es atom in the line between atoms at indices 50 and 41, and the inserted atom must be 9.11 angstrom from atom at 50 in the cif file. | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural C12I4Cl4O8F24Es
_chemical_formula_sum "C12 I4 Cl4 O8 F24 Es1"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | e9d7662d-1d33-4985-97ab-aba2d91329cd | mp-557497 | Insert a Ds atom in the line between atoms at indices 56 and 25, and the inserted atom must be 1.74 angstrom from atom at 56 in the cif file. | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pr4Nb22O60Ds
_chemical_formula_sum "Pr4 Nb22 O60 Ds1"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H... |
InsertBetweenAtomsAction | 851930ee-a909-4c2d-a1a6-3773551d5b97 | mp-755663 | Insert a Mn atom in the line between atoms at indices 13 and 3, and the inserted atom must be 14.02 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O14Mn
_chemical_formula_sum "Ta4 Pb4 O14 Mn1"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_... |
InsertBetweenAtomsAction | c5ba34ba-322d-4f48-a444-42a4fd764f9e | mp-1331651 | Insert a Si atom in the line between atoms at indices 5 and 22, and the inserted atom must be 1.71 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16Si
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16 Si1"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_sp... |
InsertBetweenAtomsAction | ddeb2680-0add-4e92-acc7-514292905adc | mp-27382 | Insert a La atom in the line between atoms at indices 35 and 31, and the inserted atom must be 3.74 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U8Tl8F40La
_chemical_formula_sum "U8 Tl8 F40 La1"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 8f182a9f-de83-49ae-8b84-312922331bc1 | mp-1046963 | Insert a Ne atom in the line between atoms at indices 9 and 5, and the inserted atom must be 1.48 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural BaZnCu4O8
_chemical_formula_sum "Ba1 Zn1 Cu4 O8"
_cell_length_a 5.30967127
_cell_length_b 5.309671269999999
_cell_length_c 7.156594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999096
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural BaZnCu4O8Ne
_chemical_formula_sum "Ba1 Zn1 Cu4 O8 Ne1"
_cell_length_a 5.30967127
_cell_length_b 5.309671269999999
_cell_length_c 7.156594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999096
_space_group_name... |
InsertBetweenAtomsAction | 4570ff1a-30ed-4624-b33d-158951d87899 | mp-1223525 | Insert a Ti atom in the line between atoms at indices 9 and 10, and the inserted atom must be 16.67 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu4O16Ti
_chemical_formula_sum "K1 La7 Cu4 O16 Ti1"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5... |
InsertBetweenAtomsAction | ca2e78e5-4a5f-4b4f-b992-e69687c1336e | mp-780531 | Insert a Md atom in the line between atoms at indices 47 and 54, and the inserted atom must be 0.34 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural Na12Mn12O32
_chemical_formula_sum "Na12 Mn12 O32"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_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 Na12Mn12O32Md
_chemical_formula_sum "Na12 Mn12 O32 Md1"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | e55d84b3-78d6-4da3-849c-50c113fbf4b9 | mp-1225501 | Insert a He atom in the line between atoms at indices 21 and 17, and the inserted atom must be 1.39 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Dy6Al6Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_gro... | data_image0
_chemical_formula_structural Dy6Al6Fe12He
_chemical_formula_sum "Dy6 Al6 Fe12 He1"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_spa... |
InsertBetweenAtomsAction | ea11de9f-81a2-41d3-b4b8-40f04041268a | mp-1214345 | Insert a Ge atom in the line between atoms at indices 21 and 27, and the inserted atom must be 5.62 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ba2Si24Pt10
_chemical_formula_sum "Ba2 Si24 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667499999... | data_image0
_chemical_formula_structural Ba2Si24Pt10Ge
_chemical_formula_sum "Ba2 Si24 Pt10 Ge1"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667... |
InsertBetweenAtomsAction | c0a69d3f-6be5-4299-aeb5-254a147c67be | mp-758514 | Insert a Mn atom in the line between atoms at indices 4 and 16, and the inserted atom must be 2.38 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li6Fe6P8O32
_chemical_formula_sum "Li6 Fe6 P8 O32"
_cell_length_a 8.527769
_cell_length_b 9.21324108
_cell_length_c 10.03660871
_cell_angle_alpha 108.15266091
_cell_angle_beta 105.36546497
_cell_angle_gamma 109.61331428000001
_spac... | data_image0
_chemical_formula_structural Li6Fe6P8O32Mn
_chemical_formula_sum "Li6 Fe6 P8 O32 Mn1"
_cell_length_a 8.527769
_cell_length_b 9.21324108
_cell_length_c 10.03660871
_cell_angle_alpha 108.15266091
_cell_angle_beta 105.36546497
_cell_angle_gamma 109.61331428000001
... |
InsertBetweenAtomsAction | 6f862f78-7b61-4e6a-b406-6171545d9c8f | mp-1245175 | Insert a Mo atom in the line between atoms at indices 9 and 93, and the inserted atom must be 8.79 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ta50N50
_chemical_formula_sum "Ta50 N50"
_cell_length_a 11.09207323
_cell_length_b 10.63223837
_cell_length_c 10.97325726
_cell_angle_alpha 90.47321580999999
_cell_angle_beta 91.80549763
_cell_angle_gamma 87.44350961
_space_group_n... | data_image0
_chemical_formula_structural Ta50N50Mo
_chemical_formula_sum "Ta50 N50 Mo1"
_cell_length_a 11.09207323
_cell_length_b 10.63223837
_cell_length_c 10.97325726
_cell_angle_alpha 90.47321580999999
_cell_angle_beta 91.80549763
_cell_angle_gamma 87.44350961
_space_g... |
InsertBetweenAtomsAction | c28073c8-3351-45f8-98e2-4a0dba3fb27e | mp-775339 | Insert a Ds atom in the line between atoms at indices 16 and 15, and the inserted atom must be 0.67 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si12O30Ds
_chemical_formula_sum "Li4 V2 Si12 O30 Ds1"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 89cea503-a766-494e-b96c-e8391151d76f | mp-649415 | Insert a No atom in the line between atoms at indices 18 and 16, and the inserted atom must be 2.54 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12No
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12 No1"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
InsertBetweenAtomsAction | 70c106e5-59b1-417a-9725-bc9a03a613e3 | mp-21827 | Insert a Zn atom in the line between atoms at indices 16 and 27, and the inserted atom must be 5.49 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural In18Cu8Se32
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_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 In18Cu8Se32Zn
_chemical_formula_sum "In18 Cu8 Se32 Zn1"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | bf542323-336e-48b1-a27b-d2c3e72a2c89 | mp-1196507 | Insert a Zr atom in the line between atoms at indices 0 and 30, and the inserted atom must be 2.49 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural K36Fe8O32
_chemical_formula_sum "K36 Fe8 O32"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_space_gr... | data_image0
_chemical_formula_structural K36Fe8O32Zr
_chemical_formula_sum "K36 Fe8 O32 Zr1"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_sp... |
InsertBetweenAtomsAction | d5c1c351-58bd-41ca-82be-727ce338f689 | mp-1239205 | Insert a As atom in the line between atoms at indices 14 and 3, and the inserted atom must be 4.56 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ta2Cr6Ag4S16
_chemical_formula_sum "Ta2 Cr6 Ag4 S16"
_cell_length_a 6.023637
_cell_length_b 6.927959
_cell_length_c 14.957959830000002
_cell_angle_alpha 62.36883373999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ta2Cr6Ag4S16As
_chemical_formula_sum "Ta2 Cr6 Ag4 S16 As1"
_cell_length_a 6.023637
_cell_length_b 6.927959
_cell_length_c 14.957959830000002
_cell_angle_alpha 62.36883373999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | 266c8e7c-e596-402f-96e6-b1d27fad7c60 | mp-1038443 | Insert a Ds atom in the line between atoms at indices 52 and 40, and the inserted atom must be 2.39 angstrom from atom at 52 in the cif file. | data_image0
_chemical_formula_structural HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_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 HfMg30CdO32Ds
_chemical_formula_sum "Hf1 Mg30 Cd1 O32 Ds1"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 613f7425-f2d5-430f-b50b-485e77219029 | mp-1235910 | Insert a Ge atom in the line between atoms at indices 5 and 16, and the inserted atom must be 1.07 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... | data_image0
_chemical_formula_structural LiMn6O4F8Ge
_chemical_formula_sum "Li1 Mn6 O4 F8 Ge1"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634... |
InsertBetweenAtomsAction | dfdfe9df-01cc-41e8-a5e8-77d1f1f6f1e0 | mp-675818 | Insert a Pb atom in the line between atoms at indices 14 and 4, and the inserted atom must be 1.47 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li11TiAs5Pb
_chemical_formula_sum "Li11 Ti1 As5 Pb1"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2... |
InsertBetweenAtomsAction | 5d84608c-3962-41a8-b6e5-9011bcdb8367 | mp-678 | Insert a As atom in the line between atoms at indices 61 and 34, and the inserted atom must be 6.59 angstrom from atom at 61 in the cif file. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag17As
_chemical_formula_sum "Mg54 Ag17 As1"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_... |
InsertBetweenAtomsAction | 6ffd98ca-9297-41b7-98d1-04ba5e8e635f | mp-1218836 | Insert a Tm atom in the line between atoms at indices 14 and 6, and the inserted atom must be 10.17 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.38... | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9Tm
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9 Tm1"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma ... |
InsertBetweenAtomsAction | c3d0b884-47a7-46b6-af12-a69149192f71 | mp-21827 | Insert a At atom in the line between atoms at indices 40 and 2, and the inserted atom must be 2.88 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural In18Cu8Se32
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_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 In18Cu8Se32At
_chemical_formula_sum "In18 Cu8 Se32 At1"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 94dfd186-62c7-4513-a54b-30a644f1b8cd | mp-20843 | Insert a Cr atom in the line between atoms at indices 6 and 7, and the inserted atom must be 2.19 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Sr4In2Pd4
_chemical_formula_sum "Sr4 In2 Pd4"
_cell_length_a 6.05803228
_cell_length_b 6.04504045
_cell_length_c 8.37278286
_cell_angle_alpha 101.75932553
_cell_angle_beta 90.0
_cell_angle_gamma 120.07111383
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sr4In2Pd4Cr
_chemical_formula_sum "Sr4 In2 Pd4 Cr1"
_cell_length_a 6.05803228
_cell_length_b 6.04504045
_cell_length_c 8.37278286
_cell_angle_alpha 101.75932553
_cell_angle_beta 90.0
_cell_angle_gamma 120.07111383
_space_group_name... |
InsertBetweenAtomsAction | ae93f9b4-cd89-4c69-b31a-0470b386517a | mp-1191856 | Insert a Pr atom in the line between atoms at indices 18 and 10, and the inserted atom must be 2.82 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural In4As4Cl4O10
_chemical_formula_sum "In4 As4 Cl4 O10"
_cell_length_a 6.843761
_cell_length_b 7.6331631
_cell_length_c 9.17066783
_cell_angle_alpha 108.41518677
_cell_angle_beta 104.79502943000001
_cell_angle_gamma 102.17767142999999
... | data_image0
_chemical_formula_structural In4As4Cl4O10Pr
_chemical_formula_sum "In4 As4 Cl4 O10 Pr1"
_cell_length_a 6.843761
_cell_length_b 7.6331631
_cell_length_c 9.17066783
_cell_angle_alpha 108.41518677
_cell_angle_beta 104.79502943000001
_cell_angle_gamma 102.177671429... |
InsertBetweenAtomsAction | 4bc1347c-caf3-4dae-8460-8f6c8cefa080 | mp-569776 | Insert a Ba atom in the line between atoms at indices 8 and 13, and the inserted atom must be 1.42 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ta4Ni12
_chemical_formula_sum "Ta4 Ni12"
_cell_length_a 4.50048397
_cell_length_b 5.0775531
_cell_length_c 8.564185050000003
_cell_angle_alpha 90.0
_cell_angle_beta 100.87707586
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ta4Ni12Ba
_chemical_formula_sum "Ta4 Ni12 Ba1"
_cell_length_a 4.50048397
_cell_length_b 5.0775531
_cell_length_c 8.564185050000003
_cell_angle_alpha 90.0
_cell_angle_beta 100.87707586
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | d09fc30c-fbe5-4f34-b06a-a73261182c74 | mp-1204170 | Insert a Si atom in the line between atoms at indices 29 and 11, and the inserted atom must be 3.54 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Mg10C8O36
_chemical_formula_sum "Mg10 C8 O36"
_cell_length_a 10.22997894
_cell_length_b 10.22997894
_cell_length_c 9.092686
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.37519941
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg10C8O36Si
_chemical_formula_sum "Mg10 C8 O36 Si1"
_cell_length_a 10.22997894
_cell_length_b 10.22997894
_cell_length_c 9.092686
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.37519941
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 81718550-c11f-40de-910c-9fb9c7f310f1 | mp-1179595 | Insert a Ts atom in the line between atoms at indices 15 and 18, and the inserted atom must be 3.49 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Sb6O28
_chemical_formula_sum "Sb6 O28"
_cell_length_a 14.943285
_cell_length_b 5.856034
_cell_length_c 5.863911219999999
_cell_angle_alpha 71.72741294
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb6O28Ts
_chemical_formula_sum "Sb6 O28 Ts1"
_cell_length_a 14.943285
_cell_length_b 5.856034
_cell_length_c 5.863911219999999
_cell_angle_alpha 71.72741294
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3358a996-a31b-41f6-bc76-7a421be2babb | mp-1029491 | Insert a Sm atom in the line between atoms at indices 7 and 2, and the inserted atom must be 2.55 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Cs4Co4N4
_chemical_formula_sum "Cs4 Co4 N4"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Cs4Co4N4Sm
_chemical_formula_sum "Cs4 Co4 N4 Sm1"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | e8341dcd-bbca-43e8-9277-a8edc7b8a4c5 | mp-583615 | Insert a Pb atom in the line between atoms at indices 8 and 12, and the inserted atom must be 3.89 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural K12In8As12
_chemical_formula_sum "K12 In8 As12"
_cell_length_a 10.51184083
_cell_length_b 10.51184083
_cell_length_c 14.88376899
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 142.13376966
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K12In8As12Pb
_chemical_formula_sum "K12 In8 As12 Pb1"
_cell_length_a 10.51184083
_cell_length_b 10.51184083
_cell_length_c 14.88376899
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 142.13376966
_space_group_name_H-... |
InsertBetweenAtomsAction | 96a2cd0b-3501-40f4-adf7-6aee225b0b94 | mp-603241 | Insert a Kr atom in the line between atoms at indices 1 and 3, and the inserted atom must be 4.30 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe4Si16O40Kr
_chemical_formula_sum "Ba4 Fe4 Si16 O40 Kr1"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.9998... |
InsertBetweenAtomsAction | d87cbe71-fe3f-402f-b991-15e526b29067 | mp-560378 | Insert a Np atom in the line between atoms at indices 32 and 17, and the inserted atom must be 0.83 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Ca12Ta16O48F8
_chemical_formula_sum "Ca12 Ta16 O48 F8"
_cell_length_a 10.538277
_cell_length_b 10.538277
_cell_length_c 10.538277
_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 Ca12Ta16O48F8Np
_chemical_formula_sum "Ca12 Ta16 O48 F8 Np1"
_cell_length_a 10.538277
_cell_length_b 10.538277
_cell_length_c 10.538277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3f4009a2-6551-4aa7-86d8-91cb33ee0547 | mp-1193265 | Insert a C atom in the line between atoms at indices 9 and 16, and the inserted atom must be 1.03 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_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 Na12Sb4Se12C
_chemical_formula_sum "Na12 Sb4 Se12 C1"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | b4488e77-657c-45ba-b77c-ca6d44532645 | mp-1205001 | Insert a Es atom in the line between atoms at indices 74 and 73, and the inserted atom must be 8.69 angstrom from atom at 74 in the cif file. | data_image0
_chemical_formula_structural Os8Xe4O24F40
_chemical_formula_sum "Os8 Xe4 O24 F40"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_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 Os8Xe4O24F40Es
_chemical_formula_sum "Os8 Xe4 O24 F40 Es1"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | aae7c2cc-7866-49ec-a44f-34c52e675509 | mp-1103158 | Insert a Np atom in the line between atoms at indices 1 and 0, and the inserted atom must be 2.48 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ti4Ge4Ir4
_chemical_formula_sum "Ti4 Ge4 Ir4"
_cell_length_a 3.94684421
_cell_length_b 6.29461026
_cell_length_c 7.36967752
_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 Ti4Ge4Ir4Np
_chemical_formula_sum "Ti4 Ge4 Ir4 Np1"
_cell_length_a 3.94684421
_cell_length_b 6.29461026
_cell_length_c 7.36967752
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 1e0054c8-4825-411c-a4e3-b13a5c1cd747 | mp-757418 | Insert a N atom in the line between atoms at indices 37 and 1, and the inserted atom must be 2.85 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... | data_image0
_chemical_formula_structural KTi16O32N
_chemical_formula_sum "K1 Ti16 O32 N1"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_... |
InsertBetweenAtomsAction | ebb9e6c2-735f-4e44-9dfb-30846e564f1e | mp-1175318 | Insert a La atom in the line between atoms at indices 34 and 13, and the inserted atom must be 2.03 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.9583734
_sp... | data_image0
_chemical_formula_structural Li14Mn10O24La
_chemical_formula_sum "Li14 Mn10 O24 La1"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.958373... |
InsertBetweenAtomsAction | d3066672-7270-456f-9ea5-63884694662b | mp-774335 | Insert a At atom in the line between atoms at indices 67 and 65, and the inserted atom must be 2.00 angstrom from atom at 67 in the cif file. | data_image0
_chemical_formula_structural Sn16P16O56
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_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 Sn16P16O56At
_chemical_formula_sum "Sn16 P16 O56 At1"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 7aadab0c-2e62-45f4-9232-edc90dd73b79 | mp-1196015 | Insert a Tb atom in the line between atoms at indices 27 and 25, and the inserted atom must be 3.21 angstrom from atom at 27 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 Cs8P4Au4S16Tb
_chemical_formula_sum "Cs8 P4 Au4 S16 Tb1"
_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 | c9b597a3-2314-4fa7-bf84-de1035810880 | mp-2215121 | Insert a P atom in the line between atoms at indices 11 and 3, and the inserted atom must be 0.51 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... | data_image0
_chemical_formula_structural Co4NiO8P
_chemical_formula_sum "Co4 Ni1 O8 P1"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.8336411... |
InsertBetweenAtomsAction | c1c29212-76d0-4e6e-9e10-4ed2f6031c2f | mp-1195795 | Insert a Ni atom in the line between atoms at indices 34 and 17, and the inserted atom must be 28.24 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22Ni
_chemical_formula_sum "La4 Y11 S22 Ni1"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_s... |
InsertBetweenAtomsAction | 2cad36c9-2789-480f-b0cc-41b686e06e5e | mp-1173233 | Insert a Ga atom in the line between atoms at indices 18 and 11, and the inserted atom must be 2.97 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12Ga
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12 Ga1"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 6a784bde-d2b6-4041-ac10-5d10c83e7c9f | mp-1175381 | Insert a Rn atom in the line between atoms at indices 20 and 8, and the inserted atom must be 2.01 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... | data_image0
_chemical_formula_structural Li9Co7O16Rn
_chemical_formula_sum "Li9 Co7 O16 Rn1"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_spa... |
InsertBetweenAtomsAction | d8d71026-c387-49c2-9c7f-50c1ded866b1 | mp-1185716 | Insert a No atom in the line between atoms at indices 6 and 14, and the inserted atom must be 0.71 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... | data_image0
_chemical_formula_structural Mg16Al12VNo
_chemical_formula_sum "Mg16 Al12 V1 No1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999... |
InsertBetweenAtomsAction | 469d1a98-cbca-4dc3-abae-8c3eb1bf3fe6 | mp-770394 | Insert a Mc atom in the line between atoms at indices 34 and 41, and the inserted atom must be 2.29 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Na10Fe4P4C4O28
_chemical_formula_sum "Na10 Fe4 P4 C4 O28"
_cell_length_a 6.68731
_cell_length_b 8.97397999
_cell_length_c 10.46054342
_cell_angle_alpha 90.26436813999999
_cell_angle_beta 90.25765964
_cell_angle_gamma 90.59874483
_s... | data_image0
_chemical_formula_structural Na10Fe4P4C4O28Mc
_chemical_formula_sum "Na10 Fe4 P4 C4 O28 Mc1"
_cell_length_a 6.68731
_cell_length_b 8.97397999
_cell_length_c 10.46054342
_cell_angle_alpha 90.26436813999999
_cell_angle_beta 90.25765964
_cell_angle_gamma 90.598744... |
InsertBetweenAtomsAction | ef6d7977-6438-4b92-8f27-1049e24466b8 | mp-975336 | Insert a U atom in the line between atoms at indices 5 and 6, and the inserted atom must be 0.47 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 K4C4S4N4U
_chemical_formula_sum "K4 C4 S4 N4 U1"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 | 4700504b-8102-446c-b3aa-939b5464b71a | mp-2460 | Insert a Pu atom in the line between atoms at indices 14 and 4, and the inserted atom must be 0.55 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Er6O9
_chemical_formula_sum "Er6 O9"
_cell_length_a 3.43167153
_cell_length_b 7.10234264
_cell_length_c 8.48446669
_cell_angle_alpha 99.89320707
_cell_angle_beta 90.00002786999998
_cell_angle_gamma 103.97785276
_space_group_name_H-... | data_image0
_chemical_formula_structural Er6O9Pu
_chemical_formula_sum "Er6 O9 Pu1"
_cell_length_a 3.43167153
_cell_length_b 7.10234264
_cell_length_c 8.48446669
_cell_angle_alpha 99.89320707
_cell_angle_beta 90.00002786999998
_cell_angle_gamma 103.97785276
_space_group_n... |
InsertBetweenAtomsAction | 43b052d9-5f89-49a8-9891-910991d8642f | mp-4584 | Insert a Nh atom in the line between atoms at indices 11 and 0, and the inserted atom must be 1.63 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Tl6B2O6
_chemical_formula_sum "Tl6 B2 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tl6B2O6Nh
_chemical_formula_sum "Tl6 B2 O6 Nh1"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 93b75b01-9f30-438b-88a8-86f9b7879a41 | mp-1191148 | Insert a Cs atom in the line between atoms at indices 2 and 0, and the inserted atom must be 4.12 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Sr2Cu4B4O12
_chemical_formula_sum "Sr2 Cu4 B4 O12"
_cell_length_a 7.28681241
_cell_length_b 7.28681241
_cell_length_c 7.286813030000001
_cell_angle_alpha 102.71824613
_cell_angle_beta 102.7182562
_cell_angle_gamma 124.03409063000001... | data_image0
_chemical_formula_structural Sr2Cu4B4O12Cs
_chemical_formula_sum "Sr2 Cu4 B4 O12 Cs1"
_cell_length_a 7.28681241
_cell_length_b 7.28681241
_cell_length_c 7.286813030000001
_cell_angle_alpha 102.71824613
_cell_angle_beta 102.7182562
_cell_angle_gamma 124.03409063... |
InsertBetweenAtomsAction | 00b90e1f-0ef7-4d19-a8f0-13fbcea4e656 | mp-1199432 | Insert a Ge atom in the line between atoms at indices 15 and 22, and the inserted atom must be 0.48 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Al2FeP2H18O18
_chemical_formula_sum "Al2 Fe1 P2 H18 O18"
_cell_length_a 5.26297988
_cell_length_b 7.0316164
_cell_length_c 10.34434355
_cell_angle_alpha 96.11274837
_cell_angle_beta 101.34742511
_cell_angle_gamma 110.46688023
_spac... | data_image0
_chemical_formula_structural Al2FeP2H18O18Ge
_chemical_formula_sum "Al2 Fe1 P2 H18 O18 Ge1"
_cell_length_a 5.26297988
_cell_length_b 7.0316164
_cell_length_c 10.34434355
_cell_angle_alpha 96.11274837
_cell_angle_beta 101.34742511
_cell_angle_gamma 110.46688023
... |
InsertBetweenAtomsAction | 9e771c4a-43ab-48e0-9544-31d6d852b81b | mp-997515 | Insert a Am atom in the line between atoms at indices 21 and 8, and the inserted atom must be 2.14 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Li2Fe16O24
_chemical_formula_sum "Li2 Fe16 O24"
_cell_length_a 5.97719948
_cell_length_b 5.99319591
_cell_length_c 13.44468737
_cell_angle_alpha 103.09989205
_cell_angle_beta 103.09598309
_cell_angle_gamma 89.9428753
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe16O24Am
_chemical_formula_sum "Li2 Fe16 O24 Am1"
_cell_length_a 5.97719948
_cell_length_b 5.99319591
_cell_length_c 13.44468737
_cell_angle_alpha 103.09989205
_cell_angle_beta 103.09598309
_cell_angle_gamma 89.9428753
_space_g... |
InsertBetweenAtomsAction | c698522f-5fb7-41e9-b21e-dcbcd2cb755d | mp-753980 | Insert a B atom in the line between atoms at indices 5 and 7, and the inserted atom must be 3.31 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... | data_image0
_chemical_formula_structural Li4Mn2TeWO12B
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12 B1"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57... |
InsertBetweenAtomsAction | d9c70d44-7932-43ff-9590-f983e9d4dab6 | mp-1022964 | Insert a Zn atom in the line between atoms at indices 6 and 5, and the inserted atom must be 0.46 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Y2Mg12Cu2
_chemical_formula_sum "Y2 Mg12 Cu2"
_cell_length_a 4.954655
_cell_length_b 6.058748
_cell_length_c 12.047795
_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 Y2Mg12Cu2Zn
_chemical_formula_sum "Y2 Mg12 Cu2 Zn1"
_cell_length_a 4.954655
_cell_length_b 6.058748
_cell_length_c 12.047795
_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 | 352b9aef-bd19-41b6-8708-ad45888d22f2 | mp-1214614 | Insert a Ag atom in the line between atoms at indices 35 and 20, and the inserted atom must be 2.87 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Ba8Ga6Ge40
_chemical_formula_sum "Ba8 Ga6 Ge40"
_cell_length_a 11.04858372
_cell_length_b 11.04858372
_cell_length_c 11.04858372
_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 Ba8Ga6Ge40Ag
_chemical_formula_sum "Ba8 Ga6 Ge40 Ag1"
_cell_length_a 11.04858372
_cell_length_b 11.04858372
_cell_length_c 11.04858372
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | eed25f25-1d58-4fc3-a866-41e964f25073 | mp-2713621 | Insert a Lu atom in the line between atoms at indices 35 and 68, and the inserted atom must be 7.50 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48Lu
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48 Lu1"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma ... |
InsertBetweenAtomsAction | dfb7c318-00d5-4ae2-836e-96d339f9eaa5 | mp-1359845 | Insert a Cr atom in the line between atoms at indices 33 and 0, and the inserted atom must be 2.63 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2Cu4P8O28Cr
_chemical_formula_sum "Ca2 Cu4 P8 O28 Cr1"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_g... |
InsertBetweenAtomsAction | 154995b9-e071-432b-8704-e723ed0dc257 | mp-1189731 | Insert a Bk atom in the line between atoms at indices 9 and 15, and the inserted atom must be 3.76 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural P4Br12O4
_chemical_formula_sum "P4 Br12 O4"
_cell_length_a 6.564227
_cell_length_b 10.251911
_cell_length_c 10.600444
_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 P4Br12O4Bk
_chemical_formula_sum "P4 Br12 O4 Bk1"
_cell_length_a 6.564227
_cell_length_b 10.251911
_cell_length_c 10.600444
_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 | 1d0ece8f-2da6-4c4c-ac31-09bcc0663770 | mp-545404 | Insert a Hs atom in the line between atoms at indices 9 and 10, and the inserted atom must be 4.49 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2Al2O7Hs
_chemical_formula_sum "Sr1 Gd2 Al2 O7 Hs1"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.8607771199999... |
InsertBetweenAtomsAction | 6adeb143-d88a-4107-85af-dd357250fe6c | mp-1200624 | Insert a Tl atom in the line between atoms at indices 15 and 33, and the inserted atom must be 5.81 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... | data_image0
_chemical_formula_structural K4V6P8O40Tl
_chemical_formula_sum "K4 V6 P8 O40 Tl1"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_spa... |
InsertBetweenAtomsAction | 4c1dafd4-ef7a-43bb-be6a-7b653fe25fbe | mp-630329 | Insert a Og atom in the line between atoms at indices 3 and 11, and the inserted atom must be 5.82 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb8Se8O24Og
_chemical_formula_sum "Pb8 Se8 O24 Og1"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 949673ac-c204-4f9e-9790-780a869c2110 | mp-1174059 | Insert a Ag atom in the line between atoms at indices 15 and 3, and the inserted atom must be 13.42 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li5MnCo2O8
_chemical_formula_sum "Li5 Mn1 Co2 O8"
_cell_length_a 9.75348313
_cell_length_b 9.75348313
_cell_length_c 5.094650180000001
_cell_angle_alpha 86.21867935
_cell_angle_beta 86.21867935
_cell_angle_gamma 17.041642740000004
... | data_image0
_chemical_formula_structural Li5MnCo2O8Ag
_chemical_formula_sum "Li5 Mn1 Co2 O8 Ag1"
_cell_length_a 9.75348313
_cell_length_b 9.75348313
_cell_length_c 5.094650180000001
_cell_angle_alpha 86.21867935
_cell_angle_beta 86.21867935
_cell_angle_gamma 17.04164274000... |
InsertBetweenAtomsAction | 8aad7aac-50b8-472a-a6ea-72542a6c44a6 | mp-1190647 | Insert a Ds atom in the line between atoms at indices 1 and 20, and the inserted atom must be 3.13 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge6F16Ds
_chemical_formula_sum "Ge6 F16 Ds1"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | b1b3261e-bc6f-431f-a730-d245754fca75 | mp-753124 | Insert a Fm atom in the line between atoms at indices 17 and 7, and the inserted atom must be 1.01 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ba5Bi3O11
_chemical_formula_sum "Ba5 Bi3 O11"
_cell_length_a 6.28351456
_cell_length_b 6.2835145599999995
_cell_length_c 9.235104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.03880228
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba5Bi3O11Fm
_chemical_formula_sum "Ba5 Bi3 O11 Fm1"
_cell_length_a 6.28351456
_cell_length_b 6.2835145599999995
_cell_length_c 9.235104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.03880228
_space_group_name_H-... |
InsertBetweenAtomsAction | 6c5f58af-90ac-43f1-82d1-3aa79b9e56b0 | mp-1196133 | Insert a Cu atom in the line between atoms at indices 1 and 8, and the inserted atom must be 12.59 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural U8P4Cl44O4
_chemical_formula_sum "U8 P4 Cl44 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_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 U8P4Cl44O4Cu
_chemical_formula_sum "U8 P4 Cl44 O4 Cu1"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | d4cebea5-ef79-45db-8904-764e4ff2bfa0 | mp-24402 | Insert a Po atom in the line between atoms at indices 24 and 28, and the inserted atom must be 1.70 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Ca4Al4Si4H4O20
_chemical_formula_sum "Ca4 Al4 Si4 H4 O20"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_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 Ca4Al4Si4H4O20Po
_chemical_formula_sum "Ca4 Al4 Si4 H4 O20 Po1"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 47411074-3013-4a36-861a-dfc2441c6845 | mp-1020590 | Insert a Cd atom in the line between atoms at indices 8 and 10, and the inserted atom must be 1.49 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Na8N3O
_chemical_formula_sum "Na8 N3 O1"
_cell_length_a 5.788327
_cell_length_b 5.788327
_cell_length_c 5.788327
_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 Na8N3OCd
_chemical_formula_sum "Na8 N3 O1 Cd1"
_cell_length_a 5.788327
_cell_length_b 5.788327
_cell_length_c 5.788327
_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 | 346984ee-12dd-4ab7-bcc5-bae8a60e069e | mp-22385 | Insert a Re atom in the line between atoms at indices 4 and 7, and the inserted atom must be 1.56 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural NpAl8Fe4
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_space... | data_image0
_chemical_formula_structural NpAl8Fe4Re
_chemical_formula_sum "Np1 Al8 Fe4 Re1"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
... |
InsertBetweenAtomsAction | 3d8b2402-6441-41d5-a2bf-1ff86c647386 | mp-26198 | Insert a Sn atom in the line between atoms at indices 26 and 1, and the inserted atom must be 5.53 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Co4P8O28
_chemical_formula_sum "Co4 P8 O28"
_cell_length_a 6.14724177
_cell_length_b 6.147241770000001
_cell_length_c 12.929038539999999
_cell_angle_alpha 75.27262183
_cell_angle_beta 75.27262183
_cell_angle_gamma 80.94715248
_spac... | data_image0
_chemical_formula_structural Co4P8O28Sn
_chemical_formula_sum "Co4 P8 O28 Sn1"
_cell_length_a 6.14724177
_cell_length_b 6.147241770000001
_cell_length_c 12.929038539999999
_cell_angle_alpha 75.27262183
_cell_angle_beta 75.27262183
_cell_angle_gamma 80.94715248
... |
InsertBetweenAtomsAction | 3989931f-ab03-4734-b4e9-7ec28ad95366 | mp-774670 | Insert a Bk atom in the line between atoms at indices 17 and 23, and the inserted atom must be 3.12 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cu3Sn2O16
_chemical_formula_sum "Li4 Mn3 Cu3 Sn2 O16"
_cell_length_a 5.95631685
_cell_length_b 5.90008281
_cell_length_c 9.68288621
_cell_angle_alpha 89.97640245
_cell_angle_beta 89.09654226
_cell_angle_gamma 119.7738885699999... | data_image0
_chemical_formula_structural Li4Mn3Cu3Sn2O16Bk
_chemical_formula_sum "Li4 Mn3 Cu3 Sn2 O16 Bk1"
_cell_length_a 5.95631685
_cell_length_b 5.90008281
_cell_length_c 9.68288621
_cell_angle_alpha 89.97640245
_cell_angle_beta 89.09654226
_cell_angle_gamma 119.7738885... |
InsertBetweenAtomsAction | 56780c0a-8951-44c1-8ab7-955c12382d7d | mp-1522640 | Insert a Pd atom in the line between atoms at indices 8 and 1, and the inserted atom must be 2.35 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural CaCeEuGeO6
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural CaCeEuGeO6Pd
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6 Pd1"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
InsertBetweenAtomsAction | 54f608e0-db6f-4781-822b-b375cf413a90 | mp-29185 | Insert a In atom in the line between atoms at indices 0 and 1, and the inserted atom must be 5.97 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O6F4In
_chemical_formula_sum "Te4 O6 F4 In1"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.6783140999999... |
InsertBetweenAtomsAction | 30e4e19d-bcbb-45c8-bac8-7dffe62fcd64 | mp-752533 | Insert a Pr atom in the line between atoms at indices 11 and 9, and the inserted atom must be 2.49 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Sr2La4O8
_chemical_formula_sum "Sr2 La4 O8"
_cell_length_a 6.24234218
_cell_length_b 6.24234218
_cell_length_c 11.561748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.65723719000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2La4O8Pr
_chemical_formula_sum "Sr2 La4 O8 Pr1"
_cell_length_a 6.24234218
_cell_length_b 6.24234218
_cell_length_c 11.561748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.65723719000002
_space_group_name_H-M_... |
InsertBetweenAtomsAction | ca5e10a2-a34f-427c-916e-d4affc932f84 | mp-1105286 | Insert a Fl atom in the line between atoms at indices 3 and 7, and the inserted atom must be 2.74 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu9Pd6Fl
_chemical_formula_sum "Eu9 Pd6 Fl1"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group... |
InsertBetweenAtomsAction | ff1346d3-904b-47cc-b5fd-e51434dc5b41 | mp-26228 | Insert a Og atom in the line between atoms at indices 1 and 28, and the inserted atom must be 1.94 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O28Og
_chemical_formula_sum "V4 P8 O28 Og1"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.383096... |
InsertBetweenAtomsAction | 2ee8d22b-cc9b-4dae-99cf-26ec474db02b | mp-1209131 | Insert a Pm atom in the line between atoms at indices 44 and 21, and the inserted atom must be 6.32 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sn27Pd39Pm
_chemical_formula_sum "Sn27 Pd39 Pm1"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | fbaa391a-98ad-4d72-9140-ec1720ae6f94 | mp-1218859 | Insert a Mt atom in the line between atoms at indices 22 and 3, and the inserted atom must be 2.34 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Sr4Ca2Ti6O18
_chemical_formula_sum "Sr4 Ca2 Ti6 O18"
_cell_length_a 12.39689951
_cell_length_b 12.38982443
_cell_length_c 5.55699853
_cell_angle_alpha 77.11570031
_cell_angle_beta 76.97351799
_cell_angle_gamma 25.91078169999999
_sp... | data_image0
_chemical_formula_structural Sr4Ca2Ti6O18Mt
_chemical_formula_sum "Sr4 Ca2 Ti6 O18 Mt1"
_cell_length_a 12.39689951
_cell_length_b 12.38982443
_cell_length_c 5.55699853
_cell_angle_alpha 77.11570031
_cell_angle_beta 76.97351799
_cell_angle_gamma 25.9107816999999... |
InsertBetweenAtomsAction | fe4dd8a3-e990-4f18-8588-19e1becb96ef | mp-26118 | Insert a Mn atom in the line between atoms at indices 5 and 11, and the inserted atom must be 3.02 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li4Mn8P12O48
_chemical_formula_sum "Li4 Mn8 P12 O48"
_cell_length_a 8.492028
_cell_length_b 8.225922
_cell_length_c 11.70736746
_cell_angle_alpha 89.96285947999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Mn8P12O48Mn
_chemical_formula_sum "Li4 Mn9 P12 O48"
_cell_length_a 8.492028
_cell_length_b 8.225922
_cell_length_c 11.70736746
_cell_angle_alpha 89.96285947999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 46de4ff2-7e96-4654-b2c0-bc8d1e76b734 | mp-1192151 | Insert a Pd atom in the line between atoms at indices 7 and 13, and the inserted atom must be 2.08 angstrom from atom at 7 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 Rb4Zn10As8Pd
_chemical_formula_sum "Rb4 Zn10 As8 Pd1"
_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 | c63186ba-d166-463b-94f9-4768c2f992fb | mp-849991 | Insert a Mg atom in the line between atoms at indices 74 and 31, and the inserted atom must be 2.54 angstrom from atom at 74 in the cif file. | data_image0
_chemical_formula_structural Li24Fe12F48
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li24Fe12F48Mg
_chemical_formula_sum "Li24 Fe12 F48 Mg1"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 131a94f2-56b5-4597-ba6f-703028173792 | mp-2228948 | Insert a Te atom in the line between atoms at indices 0 and 15, and the inserted atom must be 2.54 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10Te
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10 Te1"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102... |
InsertBetweenAtomsAction | 247f457a-269d-47ff-9bb5-6ea0672fd119 | mp-1218930 | Insert a Nd atom in the line between atoms at indices 11 and 15, and the inserted atom must be 4.22 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Sr4Ca2Cu4Bi4O16
_chemical_formula_sum "Sr4 Ca2 Cu4 Bi4 O16"
_cell_length_a 16.11398919
_cell_length_b 16.11398919
_cell_length_c 5.417115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.44549941
_space_group_name... | data_image0
_chemical_formula_structural Sr4Ca2Cu4Bi4O16Nd
_chemical_formula_sum "Sr4 Ca2 Cu4 Bi4 O16 Nd1"
_cell_length_a 16.11398919
_cell_length_b 16.11398919
_cell_length_c 5.417115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.44549941
_space_grou... |
InsertBetweenAtomsAction | ff6a4785-af4e-4780-baef-20e57459200c | mp-1212542 | Insert a Ts atom in the line between atoms at indices 22 and 15, and the inserted atom must be 2.52 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural H18C6I2N12O2
_chemical_formula_sum "H18 C6 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spa... | data_image0
_chemical_formula_structural H18C6I2N12O2Ts
_chemical_formula_sum "H18 C6 I2 N12 O2 Ts1"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428... |
InsertBetweenAtomsAction | 683546a5-20a5-41ae-8ce3-b18bd1dca975 | mp-1106213 | Insert a Db atom in the line between atoms at indices 15 and 6, and the inserted atom must be 2.11 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12Db
_chemical_formula_sum "Nd4 Mg2 Ir2 O12 Db1"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | e77c4373-6bed-4884-9963-bc9b1f5a1f0c | mp-26553 | Insert a Nb atom in the line between atoms at indices 20 and 2, and the inserted atom must be 5.71 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li2Mn3P4O14
_chemical_formula_sum "Li2 Mn3 P4 O14"
_cell_length_a 5.666978
_cell_length_b 6.9959771
_cell_length_c 7.509740429999999
_cell_angle_alpha 73.95862277
_cell_angle_beta 81.95472473999999
_cell_angle_gamma 67.66943656
_sp... | data_image0
_chemical_formula_structural Li2Mn3P4O14Nb
_chemical_formula_sum "Li2 Mn3 P4 O14 Nb1"
_cell_length_a 5.666978
_cell_length_b 6.9959771
_cell_length_c 7.509740429999999
_cell_angle_alpha 73.95862277
_cell_angle_beta 81.95472473999999
_cell_angle_gamma 67.6694365... |
InsertBetweenAtomsAction | cceea107-42d4-4842-bfe1-c59918f2b0de | mp-1195825 | Insert a P atom in the line between atoms at indices 18 and 13, and the inserted atom must be 3.37 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si12Br24P
_chemical_formula_sum "Si12 Br24 P1"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
... |
InsertBetweenAtomsAction | d827d464-cb6d-4f0a-b530-0769975e88fc | mp-556173 | Insert a Ag atom in the line between atoms at indices 8 and 43, and the inserted atom must be 5.18 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12Ag
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12 Ag1"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000... |
InsertBetweenAtomsAction | 3c6caaf1-ee77-4460-9ebb-0f1cc00b7397 | mp-1205485 | Insert a Nd atom in the line between atoms at indices 7 and 0, and the inserted atom must be 1.95 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Sc2CrReO6
_chemical_formula_sum "Sc2 Cr1 Re1 O6"
_cell_length_a 5.47141408
_cell_length_b 5.47141408
_cell_length_c 5.471414079999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Sc2CrReO6Nd
_chemical_formula_sum "Sc2 Cr1 Re1 O6 Nd1"
_cell_length_a 5.47141408
_cell_length_b 5.47141408
_cell_length_c 5.471414079999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... |
InsertBetweenAtomsAction | 7cc7beaa-d76e-46e8-8a7d-1ab6301d3337 | mp-1245698 | Insert a Ts atom in the line between atoms at indices 1 and 11, and the inserted atom must be 1.03 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Zn4Cr4N8
_chemical_formula_sum "Zn4 Cr4 N8"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 Zn4Cr4N8Ts
_chemical_formula_sum "Zn4 Cr4 N8 Ts1"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 | 6e68037c-9125-4a4f-ba81-c0f19af170a1 | mp-1340075 | Insert a Xe atom in the line between atoms at indices 1 and 8, and the inserted atom must be 2.00 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural CaNi2P4O14
_chemical_formula_sum "Ca1 Ni2 P4 O14"
_cell_length_a 6.445585
_cell_length_b 6.60223161
_cell_length_c 6.78733247
_cell_angle_alpha 114.17319242
_cell_angle_beta 87.59499806
_cell_angle_gamma 96.91312793999998
_space_gr... | data_image0
_chemical_formula_structural CaNi2P4O14Xe
_chemical_formula_sum "Ca1 Ni2 P4 O14 Xe1"
_cell_length_a 6.445585
_cell_length_b 6.60223161
_cell_length_c 6.78733247
_cell_angle_alpha 114.17319242
_cell_angle_beta 87.59499806
_cell_angle_gamma 96.91312793999998
_sp... |
InsertBetweenAtomsAction | 49a8490b-b428-410c-9d24-024baf32974c | mp-1201234 | Insert a Fm atom in the line between atoms at indices 3 and 32, and the inserted atom must be 9.19 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Cu4H32S12O40
_chemical_formula_sum "Cu4 H32 S12 O40"
_cell_length_a 20.699305
_cell_length_b 7.209669
_cell_length_c 7.899798069999999
_cell_angle_alpha 61.95298367
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu4H32S12O40Fm
_chemical_formula_sum "Cu4 H32 S12 O40 Fm1"
_cell_length_a 20.699305
_cell_length_b 7.209669
_cell_length_c 7.899798069999999
_cell_angle_alpha 61.95298367
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | a2d81f7d-4025-4ed5-8b5a-d1b3dd5ed7b9 | mp-1173581 | Insert a Mn atom in the line between atoms at indices 43 and 57, and the inserted atom must be 5.87 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Ti8P8O40Mn
_chemical_formula_sum "Na8 Ti8 P8 O40 Mn1"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | a808e8cf-c8e2-479a-b416-193475309b94 | mp-557500 | Insert a La atom in the line between atoms at indices 2 and 3, and the inserted atom must be 2.72 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6La
_chemical_formula_sum "Li1 Ni1 P2 S6 La1"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_spa... |
InsertBetweenAtomsAction | 1f9f84f1-d28c-47c1-8bf5-ef1ae230e5f8 | mp-1214002 | Insert a W atom in the line between atoms at indices 5 and 9, and the inserted atom must be 1.64 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce3P6Pd20W
_chemical_formula_sum "Ce3 P6 Pd20 W1"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.030137400000... |
InsertBetweenAtomsAction | cb2383dd-5f7f-4303-a946-581d4f1e86e4 | mp-1523308 | Insert a La atom in the line between atoms at indices 0 and 19, and the inserted atom must be 3.92 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24La
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24 La1"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
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