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 | 3ce54b6d-4662-49c0-81c2-3c8d36c032a8 | mp-1209429 | Insert a Es atom in the line between atoms at indices 16 and 26, and the inserted atom must be 4.66 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Pr3Si6Pd20
_chemical_formula_sum "Pr3 Si6 Pd20"
_cell_length_a 8.72600808
_cell_length_b 8.72600943
_cell_length_c 8.72601473
_cell_angle_alpha 59.99971905
_cell_angle_beta 59.99996874
_cell_angle_gamma 59.99978113
_space_group_nam... | data_image0
_chemical_formula_structural Pr3Si6Pd20Es
_chemical_formula_sum "Pr3 Si6 Pd20 Es1"
_cell_length_a 8.72600808
_cell_length_b 8.72600943
_cell_length_c 8.72601473
_cell_angle_alpha 59.99971905
_cell_angle_beta 59.99996874
_cell_angle_gamma 59.99978113
_space_gro... |
InsertBetweenAtomsAction | 3bc42f4c-a8d8-4fb1-bb59-000c86130ae2 | mp-756138 | Insert a Pd atom in the line between atoms at indices 5 and 13, and the inserted atom must be 5.40 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... | data_image0
_chemical_formula_structural Li4V6Sb2O16Pd
_chemical_formula_sum "Li4 V6 Sb2 O16 Pd1"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_... |
InsertBetweenAtomsAction | 2c522af7-e204-4fc6-8eb2-37327852f2db | mp-1220625 | Insert a Hf atom in the line between atoms at indices 7 and 10, and the inserted atom must be 1.32 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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 Nd4Si7Hf
_chemical_formula_sum "Nd4 Si7 Hf1"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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... |
InsertBetweenAtomsAction | 935fccb9-6637-4c61-afc0-45f028b9f611 | mp-1219608 | Insert a Al atom in the line between atoms at indices 5 and 7, and the inserted atom must be 2.15 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural RbLaTiNbO6F
_chemical_formula_sum "Rb1 La1 Ti1 Nb1 O6 F1"
_cell_length_a 3.872434
_cell_length_b 3.915958
_cell_length_c 11.289405
_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 RbLaTiNbO6FAl
_chemical_formula_sum "Rb1 La1 Ti1 Nb1 O6 F1 Al1"
_cell_length_a 3.872434
_cell_length_b 3.915958
_cell_length_c 11.289405
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7831d036-6ba9-4ede-aff7-e13dff3edf25 | mp-24598 | Insert a Lv atom in the line between atoms at indices 27 and 18, and the inserted atom must be 4.66 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40Lv
_chemical_formula_sum "Ba4 V4 P8 H16 O40 Lv1"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 60982e07-bb06-492f-b82b-b1517543a40e | mp-680754 | Insert a Ac atom in the line between atoms at indices 17 and 9, and the inserted atom must be 4.27 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ca10Cu2Pb6
_chemical_formula_sum "Ca10 Cu2 Pb6"
_cell_length_a 9.62567022
_cell_length_b 9.62567022
_cell_length_c 6.774716
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000149999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca10Cu2Pb6Ac
_chemical_formula_sum "Ca10 Cu2 Pb6 Ac1"
_cell_length_a 9.62567022
_cell_length_b 9.62567022
_cell_length_c 6.774716
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000149999998
_space_group_name_H... |
InsertBetweenAtomsAction | 3bed59d9-826d-4469-8e32-9e3ecb92e8fa | mp-753268 | Insert a S atom in the line between atoms at indices 13 and 2, and the inserted atom must be 1.38 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Li6CuF8
_chemical_formula_sum "Li6 Cu1 F8"
_cell_length_a 5.83628149
_cell_length_b 5.836281490000001
_cell_length_c 5.98314077
_cell_angle_alpha 62.57039479000001
_cell_angle_beta 62.570394789999995
_cell_angle_gamma 58.72180139
_... | data_image0
_chemical_formula_structural Li6CuF8S
_chemical_formula_sum "Li6 Cu1 F8 S1"
_cell_length_a 5.83628149
_cell_length_b 5.836281490000001
_cell_length_c 5.98314077
_cell_angle_alpha 62.57039479000001
_cell_angle_beta 62.570394789999995
_cell_angle_gamma 58.7218013... |
InsertBetweenAtomsAction | f92457aa-4a55-49cd-b254-0932acc93185 | mp-1193899 | Insert a Sc atom in the line between atoms at indices 12 and 1, and the inserted atom must be 2.37 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ta8Fe8Si14
_chemical_formula_sum "Ta8 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_space_gr... | data_image0
_chemical_formula_structural Ta8Fe8Si14Sc
_chemical_formula_sum "Ta8 Fe8 Si14 Sc1"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_sp... |
InsertBetweenAtomsAction | 0af42dc2-bb99-4b31-b7c3-9a852eb278be | mp-559593 | Insert a Co atom in the line between atoms at indices 17 and 26, and the inserted atom must be 1.09 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6Co
_chemical_formula_sum "P3 S9 N15 F6 Co1"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470... |
InsertBetweenAtomsAction | 3ec73736-778b-4269-8eed-acdc5d722c99 | mp-757606 | Insert a Fe atom in the line between atoms at indices 8 and 15, and the inserted atom must be 7.81 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16Fe
_chemical_formula_sum "Li4 Ni4 P4 O16 Fe1"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96... |
InsertBetweenAtomsAction | 660c66a3-0981-44f6-8f0a-385fc608c29a | mp-1040980 | Insert a K atom in the line between atoms at indices 31 and 0, and the inserted atom must be 5.04 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Mg4Cu8Bi8O32
_chemical_formula_sum "Mg4 Cu8 Bi8 O32"
_cell_length_a 8.571267
_cell_length_b 6.429923
_cell_length_c 13.771039649999999
_cell_angle_alpha 86.64248043000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Mg4Cu8Bi8O32K
_chemical_formula_sum "Mg4 Cu8 Bi8 O32 K1"
_cell_length_a 8.571267
_cell_length_b 6.429923
_cell_length_c 13.771039649999999
_cell_angle_alpha 86.64248043000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | 8f3bdd02-0a45-4e6e-9388-e1b4fc28fda2 | mp-1227512 | Insert a At atom in the line between atoms at indices 7 and 9, and the inserted atom must be 1.79 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 Bi8Se6S6At
_chemical_formula_sum "Bi8 Se6 S6 At1"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 | b05b8c34-4700-4270-8ed6-330d08657a4d | mp-779625 | Insert a Pt atom in the line between atoms at indices 48 and 62, and the inserted atom must be 6.23 angstrom from atom at 48 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 Li16Mn8P12O48Pt
_chemical_formula_sum "Li16 Mn8 P12 O48 Pt1"
_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 | c66f3b87-0f0e-4457-8677-87eec80b29d1 | mp-1356795 | Insert a Tc atom in the line between atoms at indices 35 and 16, and the inserted atom must be 7.56 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn6Bi4P4O24Tc
_chemical_formula_sum "Zn6 Bi4 P4 O24 Tc1"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 66f20696-f02f-4cac-862f-9f4f80d9e145 | mp-1303460 | Insert a Ac atom in the line between atoms at indices 25 and 1, and the inserted atom must be 0.45 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... | data_image0
_chemical_formula_structural Li4Co4C8O24Ac
_chemical_formula_sum "Li4 Co4 C8 O24 Ac1"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20... |
InsertBetweenAtomsAction | e8556e7b-0b80-452d-bb55-294b59259d03 | mp-1198945 | Insert a Cu atom in the line between atoms at indices 1 and 25, and the inserted atom must be 3.25 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg4B8H24
_chemical_formula_sum "Mg4 B8 H24"
_cell_length_a 7.779874
_cell_length_b 7.976890849999999
_cell_length_c 8.81460468
_cell_angle_alpha 92.17178982
_cell_angle_beta 93.77056033
_cell_angle_gamma 92.90075256
_space_group_na... | data_image0
_chemical_formula_structural Mg4B8H24Cu
_chemical_formula_sum "Mg4 B8 H24 Cu1"
_cell_length_a 7.779874
_cell_length_b 7.976890849999999
_cell_length_c 8.81460468
_cell_angle_alpha 92.17178982
_cell_angle_beta 93.77056033
_cell_angle_gamma 92.90075256
_space_gr... |
InsertBetweenAtomsAction | 7ae0f143-4bc5-43cf-8ded-d69659495ae2 | mp-1331651 | Insert a Au atom in the line between atoms at indices 10 and 14, and the inserted atom must be 0.89 angstrom from atom at 10 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 Li4Mn3V3Sb2O16Au
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16 Au1"
_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 | 61e046fb-396e-47a2-8cee-e971a360049d | mp-555792 | Insert a Sr atom in the line between atoms at indices 7 and 8, and the inserted atom must be 0.39 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O12Sr
_chemical_formula_sum "Na2 Os4 O12 Sr1"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | 216a4cc7-bc74-417d-91b9-36dbc58e9122 | mp-35143 | Insert a Mc atom in the line between atoms at indices 7 and 0, and the inserted atom must be 0.58 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6Mc
_chemical_formula_sum "Ba2 Nb2 S6 Mc1"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M... |
InsertBetweenAtomsAction | a5f5f794-7412-47de-8e69-0a53a7964a17 | mp-1197620 | Insert a Li atom in the line between atoms at indices 53 and 25, and the inserted atom must be 5.36 angstrom from atom at 53 in the cif file. | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K12As4P12Se36Li
_chemical_formula_sum "K12 As4 P12 Se36 Li1"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | 320bd2c8-ade9-44da-b90b-0257510036c6 | mp-1245330 | Insert a Sb atom in the line between atoms at indices 16 and 7, and the inserted atom must be 3.73 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Fe28Ge4N24
_chemical_formula_sum "Fe28 Ge4 N24"
_cell_length_a 8.086777
_cell_length_b 6.339445
_cell_length_c 10.707882
_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 Fe28Ge4N24Sb
_chemical_formula_sum "Fe28 Ge4 N24 Sb1"
_cell_length_a 8.086777
_cell_length_b 6.339445
_cell_length_c 10.707882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | caf887c5-4856-4013-a755-a6bb6f0cd03d | mp-1048419 | Insert a Hs atom in the line between atoms at indices 15 and 5, and the inserted atom must be 1.42 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Mg4Ta2Nb4O16
_chemical_formula_sum "Mg4 Ta2 Nb4 O16"
_cell_length_a 5.230123
_cell_length_b 5.982446959999999
_cell_length_c 10.004586360000001
_cell_angle_alpha 103.85833502
_cell_angle_beta 93.27404124
_cell_angle_gamma 91.7195298... | data_image0
_chemical_formula_structural Mg4Ta2Nb4O16Hs
_chemical_formula_sum "Mg4 Ta2 Nb4 O16 Hs1"
_cell_length_a 5.230123
_cell_length_b 5.982446959999999
_cell_length_c 10.004586360000001
_cell_angle_alpha 103.85833502
_cell_angle_beta 93.27404124
_cell_angle_gamma 91.7... |
InsertBetweenAtomsAction | 782f98f2-76fd-4a22-8902-73c5da065a08 | mp-1508 | Insert a Fe atom in the line between atoms at indices 11 and 3, and the inserted atom must be 2.21 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 La8S16Fe
_chemical_formula_sum "La8 S16 Fe1"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 | baec1289-13a6-4ba1-8d05-62a20876e9bf | mp-1209038 | Insert a Mt atom in the line between atoms at indices 15 and 4, and the inserted atom must be 3.49 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Sm12Co4Sn2
_chemical_formula_sum "Sm12 Co4 Sn2"
_cell_length_a 8.5812899
_cell_length_b 8.5812899
_cell_length_c 8.5812899
_cell_angle_alpha 112.26447806
_cell_angle_beta 109.44771758
_cell_angle_gamma 106.74848574
_space_group_nam... | data_image0
_chemical_formula_structural Sm12Co4Sn2Mt
_chemical_formula_sum "Sm12 Co4 Sn2 Mt1"
_cell_length_a 8.5812899
_cell_length_b 8.5812899
_cell_length_c 8.5812899
_cell_angle_alpha 112.26447806
_cell_angle_beta 109.44771758
_cell_angle_gamma 106.74848574
_space_gro... |
InsertBetweenAtomsAction | 11335d14-07d5-4291-a266-64fbc1925573 | mp-781738 | Insert a Sr atom in the line between atoms at indices 20 and 23, and the inserted atom must be 6.95 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O32Sr
_chemical_formula_sum "Na12 V4 B8 S2 O32 Sr1"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.... |
InsertBetweenAtomsAction | f0cfcc45-07c6-405a-a260-45f8d0edad7d | mp-1175308 | Insert a Be atom in the line between atoms at indices 23 and 24, and the inserted atom must be 0.47 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... | data_image0
_chemical_formula_structural Li14Mn10O24Be
_chemical_formula_sum "Li14 Mn10 O24 Be1"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592... |
InsertBetweenAtomsAction | d9d32e4b-d755-4495-875d-c16a03ba5faa | mp-554397 | Insert a Rh atom in the line between atoms at indices 19 and 16, and the inserted atom must be 3.05 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Si8O16
_chemical_formula_sum "Si8 O16"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_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_n... | data_image0
_chemical_formula_structural Si8O16Rh
_chemical_formula_sum "Si8 O16 Rh1"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
InsertBetweenAtomsAction | 3463c335-e8c7-4fca-8a98-082eceb54c79 | mp-559558 | Insert a Sn atom in the line between atoms at indices 45 and 19, and the inserted atom must be 4.98 angstrom from atom at 45 in the cif file. | data_image0
_chemical_formula_structural Cu12P32S24Cl12
_chemical_formula_sum "Cu12 P32 S24 Cl12"
_cell_length_a 6.354919
_cell_length_b 11.60933
_cell_length_c 26.560462
_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 Cu12P32S24Cl12Sn
_chemical_formula_sum "Cu12 P32 S24 Cl12 Sn1"
_cell_length_a 6.354919
_cell_length_b 11.60933
_cell_length_c 26.560462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 71707e3d-a3c7-4117-921f-ed7a50dc84f6 | mp-685281 | Insert a Eu atom in the line between atoms at indices 17 and 6, and the inserted atom must be 4.31 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6Eu
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6 Eu1"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.5639533... |
InsertBetweenAtomsAction | 9b078afc-da47-4f3f-a472-cd5afccd11d7 | mp-1019732 | Insert a Na atom in the line between atoms at indices 1 and 15, and the inserted atom must be 5.07 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Eu4Al8O16
_chemical_formula_sum "Eu4 Al8 O16"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu4Al8O16Na
_chemical_formula_sum "Eu4 Al8 O16 Na1"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f9c1c06a-11f5-409d-a29a-3a3e187542fd | mp-1173626 | Insert a Mt atom in the line between atoms at indices 3 and 7, and the inserted atom must be 3.82 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4C2O10Mt
_chemical_formula_sum "Nd4 C2 O10 Mt1"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 0e63c332-93f2-4198-95a9-678a42128099 | mp-760977 | Insert a Hf atom in the line between atoms at indices 7 and 2, and the inserted atom must be 1.61 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_group_... | data_image0
_chemical_formula_structural Ni6O2F10Hf
_chemical_formula_sum "Ni6 O2 F10 Hf1"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_... |
InsertBetweenAtomsAction | dac62ff4-cc98-49bb-a83c-5ecc906a06ed | mp-1229279 | Insert a Bk atom in the line between atoms at indices 49 and 46, and the inserted atom must be 5.49 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Ba4Se4S16O31
_chemical_formula_sum "Ba4 Se4 S16 O31"
_cell_length_a 10.734121
_cell_length_b 5.333838
_cell_length_c 22.147670509999998
_cell_angle_alpha 89.93004263
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba4Se4S16O31Bk
_chemical_formula_sum "Ba4 Se4 S16 O31 Bk1"
_cell_length_a 10.734121
_cell_length_b 5.333838
_cell_length_c 22.147670509999998
_cell_angle_alpha 89.93004263
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | f6f514da-efaf-4842-a330-9a6c24411d69 | mp-8825 | Insert a Ca atom in the line between atoms at indices 63 and 30, and the inserted atom must be 2.04 angstrom from atom at 63 in the cif file. | data_image0
_chemical_formula_structural Pr24O44
_chemical_formula_sum "Pr24 O44"
_cell_length_a 6.916873
_cell_length_b 12.26425233
_cell_length_c 13.453490299999999
_cell_angle_alpha 89.09660662
_cell_angle_beta 78.27549531
_cell_angle_gamma 89.56569399
_space_group_nam... | data_image0
_chemical_formula_structural Pr24O44Ca
_chemical_formula_sum "Pr24 O44 Ca1"
_cell_length_a 6.916873
_cell_length_b 12.26425233
_cell_length_c 13.453490299999999
_cell_angle_alpha 89.09660662
_cell_angle_beta 78.27549531
_cell_angle_gamma 89.56569399
_space_gro... |
InsertBetweenAtomsAction | 8b1bf55f-8a30-42e3-9050-70e2b503004c | mp-1176400 | Insert a P atom in the line between atoms at indices 21 and 40, and the inserted atom must be 2.36 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Na8Li4Fe4P4C4O28
_chemical_formula_sum "Na8 Li4 Fe4 P4 C4 O28"
_cell_length_a 6.675617
_cell_length_b 8.84358954
_cell_length_c 10.33512443
_cell_angle_alpha 91.98489603
_cell_angle_beta 90.26083077
_cell_angle_gamma 91.11467526
_s... | data_image0
_chemical_formula_structural Na8Li4Fe4P4C4O28P
_chemical_formula_sum "Na8 Li4 Fe4 P5 C4 O28"
_cell_length_a 6.675617
_cell_length_b 8.84358954
_cell_length_c 10.33512443
_cell_angle_alpha 91.98489603
_cell_angle_beta 90.26083077
_cell_angle_gamma 91.11467526
_... |
InsertBetweenAtomsAction | db76d955-6117-428a-aba0-6220d8507d89 | mp-1246580 | Insert a He atom in the line between atoms at indices 1 and 14, and the inserted atom must be 2.54 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ca6Mo4N8
_chemical_formula_sum "Ca6 Mo4 N8"
_cell_length_a 7.04236519
_cell_length_b 8.55334875
_cell_length_c 5.502879380000001
_cell_angle_alpha 90.00000168999999
_cell_angle_beta 90.58006323
_cell_angle_gamma 127.39295567999999
... | data_image0
_chemical_formula_structural Ca6Mo4N8He
_chemical_formula_sum "Ca6 Mo4 N8 He1"
_cell_length_a 7.04236519
_cell_length_b 8.55334875
_cell_length_c 5.502879380000001
_cell_angle_alpha 90.00000168999999
_cell_angle_beta 90.58006323
_cell_angle_gamma 127.3929556799... |
InsertBetweenAtomsAction | d37535ef-ac73-468f-be2a-da17eed0018a | mp-1220408 | Insert a B atom in the line between atoms at indices 2 and 6, and the inserted atom must be 2.82 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Nb4Al4Zn4
_chemical_formula_sum "Nb4 Al4 Zn4"
_cell_length_a 5.02221354
_cell_length_b 5.02226131
_cell_length_c 8.31295142
_cell_angle_alpha 90.00046036
_cell_angle_beta 90.00048932
_cell_angle_gamma 60.6792737
_space_group_name_H... | data_image0
_chemical_formula_structural Nb4Al4Zn4B
_chemical_formula_sum "Nb4 Al4 Zn4 B1"
_cell_length_a 5.02221354
_cell_length_b 5.02226131
_cell_length_c 8.31295142
_cell_angle_alpha 90.00046036
_cell_angle_beta 90.00048932
_cell_angle_gamma 60.6792737
_space_group_na... |
InsertBetweenAtomsAction | 5eccff68-baf5-476e-b128-d5a788bcc415 | mp-557123 | Insert a Pb atom in the line between atoms at indices 14 and 4, and the inserted atom must be 5.10 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32Pb
_chemical_formula_sum "Na8 Cu4 Si12 O32 Pb1"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 5b8a3d32-a901-4541-a4b5-24609a4d7d30 | mp-726261 | Insert a Ge atom in the line between atoms at indices 9 and 13, and the inserted atom must be 2.62 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cu2C6N4O10
_chemical_formula_sum "Cu2 C6 N4 O10"
_cell_length_a 6.950721
_cell_length_b 7.11348608
_cell_length_c 8.65397866
_cell_angle_alpha 105.43300671
_cell_angle_beta 90.64948244
_cell_angle_gamma 112.19062950999998
_space_gr... | data_image0
_chemical_formula_structural Cu2C6N4O10Ge
_chemical_formula_sum "Cu2 C6 N4 O10 Ge1"
_cell_length_a 6.950721
_cell_length_b 7.11348608
_cell_length_c 8.65397866
_cell_angle_alpha 105.43300671
_cell_angle_beta 90.64948244
_cell_angle_gamma 112.19062950999998
_sp... |
InsertBetweenAtomsAction | e1ec1873-2ef2-49f0-8d93-48398e517ae1 | mp-849779 | Insert a Rn atom in the line between atoms at indices 13 and 66, and the inserted atom must be 4.43 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Li4Si24Bi4O56
_chemical_formula_sum "Li4 Si24 Bi4 O56"
_cell_length_a 13.1493043
_cell_length_b 13.1493043
_cell_length_c 13.1493043
_cell_angle_alpha 146.13628062999996
_cell_angle_beta 107.23526540999998
_cell_angle_gamma 82.72329... | data_image0
_chemical_formula_structural Li4Si24Bi4O56Rn
_chemical_formula_sum "Li4 Si24 Bi4 O56 Rn1"
_cell_length_a 13.1493043
_cell_length_b 13.1493043
_cell_length_c 13.1493043
_cell_angle_alpha 146.13628062999996
_cell_angle_beta 107.23526540999998
_cell_angle_gamma 82... |
InsertBetweenAtomsAction | 3745e040-966f-477e-bfb5-e7ce99996be5 | mp-1029422 | Insert a U atom in the line between atoms at indices 6 and 4, and the inserted atom must be 0.21 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Zn4N6U
_chemical_formula_sum "Nb2 Zn4 N6 U1"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | f1a9f624-48f5-4865-8bd1-57230549e031 | mp-758458 | Insert a Na atom in the line between atoms at indices 38 and 35, and the inserted atom must be 1.01 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4V4P16O48Na
_chemical_formula_sum "Li4 V4 P16 O48 Na1"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 81dfc6be-1046-4bcc-99d1-4e6ee253ee7b | mp-1048875 | Insert a Lr atom in the line between atoms at indices 5 and 6, and the inserted atom must be 1.68 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mn4Zn2O8
_chemical_formula_sum "Mn4 Zn2 O8"
_cell_length_a 6.07409152
_cell_length_b 6.07409152
_cell_length_c 6.07409219
_cell_angle_alpha 60.19765702000001
_cell_angle_beta 60.19765702000001
_cell_angle_gamma 60.19766422000001
_s... | data_image0
_chemical_formula_structural Mn4Zn2O8Lr
_chemical_formula_sum "Mn4 Zn2 O8 Lr1"
_cell_length_a 6.07409152
_cell_length_b 6.07409152
_cell_length_c 6.07409219
_cell_angle_alpha 60.19765702000001
_cell_angle_beta 60.19765702000001
_cell_angle_gamma 60.197664220000... |
InsertBetweenAtomsAction | a5e10da9-bf6d-443a-8ddb-1d0a445b1bd4 | mp-571288 | Insert a Rh atom in the line between atoms at indices 14 and 12, and the inserted atom must be 2.17 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... | data_image0
_chemical_formula_structural K2Ta2Ag4Se8Rh
_chemical_formula_sum "K2 Ta2 Ag4 Se8 Rh1"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_... |
InsertBetweenAtomsAction | 680d7448-c29a-45f2-8de1-a25444380110 | mp-1112206 | Insert a P atom in the line between atoms at indices 4 and 7, and the inserted atom must be 0.99 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2GaHgI6P
_chemical_formula_sum "K2 Ga1 Hg1 I6 P1"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
InsertBetweenAtomsAction | ba055536-2415-4a1c-93e1-93577098f81c | mp-1214552 | Insert a Nd atom in the line between atoms at indices 14 and 34, and the inserted atom must be 1.83 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural Ba8Cu6Si40Nd
_chemical_formula_sum "Ba8 Cu6 Si40 Nd1"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000... |
InsertBetweenAtomsAction | 647bd74d-3a65-41fd-a96b-f6e72a402521 | mp-1247313 | Insert a B atom in the line between atoms at indices 31 and 22, and the inserted atom must be 1.85 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12B
_chemical_formula_sum "Zn16 Ag4 N12 B1"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_spa... |
InsertBetweenAtomsAction | fa2ff17e-6fb6-45b2-8e6e-709981ece42b | mp-572465 | Insert a Ge atom in the line between atoms at indices 35 and 4, and the inserted atom must be 3.88 angstrom from atom at 35 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 Cr4Cu4P8S24Ge
_chemical_formula_sum "Cr4 Cu4 P8 S24 Ge1"
_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 | 16045e42-f55d-448e-a322-713041d23868 | mp-1216973 | Insert a Dy atom in the line between atoms at indices 7 and 1, and the inserted atom must be 8.70 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Tm14Mg6Ge16Dy
_chemical_formula_sum "Tm14 Mg6 Ge16 Dy1"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | c9aacd46-2b44-4dd8-9c9d-633a6c9e1c2e | mp-580962 | Insert a Rg atom in the line between atoms at indices 7 and 3, and the inserted atom must be 0.75 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_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 Rb2C4I6N4Rg
_chemical_formula_sum "Rb2 C4 I6 N4 Rg1"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_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 | b8d9ba38-49e9-4958-8a65-7d18f6dfb6ac | mp-885434 | Insert a Ho atom in the line between atoms at indices 1 and 5, and the inserted atom must be 0.46 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... | data_image0
_chemical_formula_structural K2Li4Fe2O6Ho
_chemical_formula_sum "K2 Li4 Fe2 O6 Ho1"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.4281053... |
InsertBetweenAtomsAction | 07cda453-a97b-498b-967b-b62daac8cb0a | mp-20014 | Insert a Db atom in the line between atoms at indices 32 and 33, and the inserted atom must be 1.38 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_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 Al4V4Mo4O28Db
_chemical_formula_sum "Al4 V4 Mo4 O28 Db1"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 5d8175c6-d5bb-4172-bd3a-2fe9495c7c3c | mp-557900 | Insert a H atom in the line between atoms at indices 23 and 32, and the inserted atom must be 3.68 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36H
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36 H1"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 317128bc-6b6b-4cc8-a54f-c62f7f521c48 | mp-1219949 | Insert a Ta atom in the line between atoms at indices 11 and 17, and the inserted atom must be 2.67 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2AlFe16Ta
_chemical_formula_sum "Pr2 Al1 Fe16 Ta1"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75... |
InsertBetweenAtomsAction | 16743a86-7172-4f6c-aa6c-bcf185ec4a15 | mp-1075693 | Insert a Co atom in the line between atoms at indices 27 and 15, and the inserted atom must be 1.52 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999994
_... | data_image0
_chemical_formula_structural Mg10Si18Co
_chemical_formula_sum "Mg10 Si18 Co1"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999... |
InsertBetweenAtomsAction | 1e510515-9785-493b-939a-ebede232ad70 | mp-1101787 | Insert a Rg atom in the line between atoms at indices 7 and 1, and the inserted atom must be 8.02 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si10Rg
_chemical_formula_sum "La2 Si10 Rg1"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.6223092799... |
InsertBetweenAtomsAction | 42fe39ae-7200-4e1d-b920-88d8cfcbfb12 | mp-1003545 | Insert a Xe atom in the line between atoms at indices 5 and 12, and the inserted atom must be 4.24 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... | data_image0
_chemical_formula_structural MgMn4O8Xe
_chemical_formula_sum "Mg1 Mn4 O8 Xe1"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_sp... |
InsertBetweenAtomsAction | 58ee18e2-a189-4c4c-a4de-8ae4638ae6be | mp-1304002 | Insert a Cm atom in the line between atoms at indices 17 and 31, and the inserted atom must be 1.17 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16Cm
_chemical_formula_sum "Li8 Ni6 Bi2 O16 Cm1"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
... |
InsertBetweenAtomsAction | 5f57f253-68e3-405a-8941-8ec05c34a6b1 | mp-1110899 | Insert a Ni atom in the line between atoms at indices 1 and 7, and the inserted atom must be 1.00 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6Ni
_chemical_formula_sum "K2 Li1 Sb1 Br6 Ni1"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.... |
InsertBetweenAtomsAction | 1d47e48a-a6a8-4473-a527-a90a270b42ef | mp-1236786 | Insert a Yb atom in the line between atoms at indices 14 and 9, and the inserted atom must be 2.91 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Rb3LiTbV2O8
_chemical_formula_sum "Rb3 Li1 Tb1 V2 O8"
_cell_length_a 5.97403382
_cell_length_b 5.97403382
_cell_length_c 9.136743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999801
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb3LiTbV2O8Yb
_chemical_formula_sum "Rb3 Li1 Tb1 V2 O8 Yb1"
_cell_length_a 5.97403382
_cell_length_b 5.97403382
_cell_length_c 9.136743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999801
_space_group_name_H... |
InsertBetweenAtomsAction | e192dfce-33fb-4fd6-8490-4e734a12f8c5 | mp-2229527 | Insert a Ts atom in the line between atoms at indices 16 and 13, and the inserted atom must be 2.42 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural MgV2S4N6Cl4
_chemical_formula_sum "Mg1 V2 S4 N6 Cl4"
_cell_length_a 5.82992381
_cell_length_b 7.542384219999999
_cell_length_c 8.391765299999998
_cell_angle_alpha 93.86912929000002
_cell_angle_beta 98.64564997
_cell_angle_gamma 111.... | data_image0
_chemical_formula_structural MgV2S4N6Cl4Ts
_chemical_formula_sum "Mg1 V2 S4 N6 Cl4 Ts1"
_cell_length_a 5.82992381
_cell_length_b 7.542384219999999
_cell_length_c 8.391765299999998
_cell_angle_alpha 93.86912929000002
_cell_angle_beta 98.64564997
_cell_angle_gamma ... |
InsertBetweenAtomsAction | d4423ad3-8bfd-43dc-99c0-0d749903f73a | mp-3276 | Insert a Rb atom in the line between atoms at indices 9 and 13, and the inserted atom must be 3.22 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... | data_image0
_chemical_formula_structural Nb8Cr4Si10Rb
_chemical_formula_sum "Nb8 Cr4 Si10 Rb1"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_s... |
InsertBetweenAtomsAction | 3e758458-83dc-4c2e-84cb-3655573e3eef | mp-1209674 | Insert a H atom in the line between atoms at indices 47 and 33, and the inserted atom must be 2.43 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural Rb4Er4S8O36
_chemical_formula_sum "Rb4 Er4 S8 O36"
_cell_length_a 8.557369
_cell_length_b 10.59367819
_cell_length_c 10.1539343
_cell_angle_alpha 120.17599367000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Rb4Er4S8O36H
_chemical_formula_sum "Rb4 Er4 S8 O36 H1"
_cell_length_a 8.557369
_cell_length_b 10.59367819
_cell_length_c 10.1539343
_cell_angle_alpha 120.17599367000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 1f9f7bee-ab34-4874-b4dc-01c495972c9f | mp-1046822 | Insert a Ce atom in the line between atoms at indices 13 and 8, and the inserted atom must be 1.51 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Mg4Nb4Mo2O16
_chemical_formula_sum "Mg4 Nb4 Mo2 O16"
_cell_length_a 10.20057655
_cell_length_b 10.20057655
_cell_length_c 5.3367818399999996
_cell_angle_alpha 89.64553634000002
_cell_angle_beta 89.64553634000002
_cell_angle_gamma 34... | data_image0
_chemical_formula_structural Mg4Nb4Mo2O16Ce
_chemical_formula_sum "Mg4 Nb4 Mo2 O16 Ce1"
_cell_length_a 10.20057655
_cell_length_b 10.20057655
_cell_length_c 5.3367818399999996
_cell_angle_alpha 89.64553634000002
_cell_angle_beta 89.64553634000002
_cell_angle_gamma... |
InsertBetweenAtomsAction | 555afbb9-ee07-4a51-86ae-96a877b12d85 | mp-680260 | Insert a Ag atom in the line between atoms at indices 29 and 39, and the inserted atom must be 6.26 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Ti45Se16
_chemical_formula_sum "Ti45 Se16"
_cell_length_a 3.46536314
_cell_length_b 16.45968269
_cell_length_c 17.78670843
_cell_angle_alpha 91.56831076999998
_cell_angle_beta 95.59008839999998
_cell_angle_gamma 90.00577845
_space_... | data_image0
_chemical_formula_structural Ti45Se16Ag
_chemical_formula_sum "Ti45 Se16 Ag1"
_cell_length_a 3.46536314
_cell_length_b 16.45968269
_cell_length_c 17.78670843
_cell_angle_alpha 91.56831076999998
_cell_angle_beta 95.59008839999998
_cell_angle_gamma 90.00577845
_... |
InsertBetweenAtomsAction | ee3cbc61-d797-4a25-98ee-488eeaebd3c5 | mp-756331 | Insert a Er atom in the line between atoms at indices 6 and 5, and the inserted atom must be 5.63 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... | data_image0
_chemical_formula_structural Li4Ti3Co5O16Er
_chemical_formula_sum "Li4 Ti3 Co5 O16 Er1"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 03b0fad3-d78d-48e5-83fa-97e85974fc8c | mp-1227411 | Insert a Ca atom in the line between atoms at indices 4 and 14, and the inserted atom must be 6.13 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12Ca
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12 Ca1"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966... |
InsertBetweenAtomsAction | 63ec9b9e-ab98-4cb9-9175-332b65967261 | mp-1029771 | Insert a Cs atom in the line between atoms at indices 18 and 16, and the inserted atom must be 10.01 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12Cs
_chemical_formula_sum "Ca8 Re4 N12 Cs1"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.52523426000001... |
InsertBetweenAtomsAction | 39b436f4-d192-4730-8143-dc5f0cf1ebd2 | mp-863407 | Insert a Cd atom in the line between atoms at indices 7 and 20, and the inserted atom must be 0.88 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li12Fe6Si12O36
_chemical_formula_sum "Li12 Fe6 Si12 O36"
_cell_length_a 7.188922
_cell_length_b 9.89052
_cell_length_c 10.284294
_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 Li12Fe6Si12O36Cd
_chemical_formula_sum "Li12 Fe6 Si12 O36 Cd1"
_cell_length_a 7.188922
_cell_length_b 9.89052
_cell_length_c 10.284294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2e8264c4-edae-4423-9a56-0d4fb3a6a62b | mp-625502 | Insert a Lr atom in the line between atoms at indices 9 and 17, and the inserted atom must be 1.61 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... | data_image0
_chemical_formula_structural H4W4O14Lr
_chemical_formula_sum "H4 W4 O14 Lr1"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.644793049999... |
InsertBetweenAtomsAction | 776c9533-5565-4baf-afbf-2e188212b3e7 | mp-1189241 | Insert a La atom in the line between atoms at indices 5 and 9, and the inserted atom must be 5.67 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Gd4As8Au4La
_chemical_formula_sum "Gd4 As8 Au4 La1"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 24aeb989-0601-4ecf-90aa-7be907baa7e9 | mp-1304294 | Insert a Ni atom in the line between atoms at indices 5 and 6, and the inserted atom must be 2.17 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li3Mn2CoO6
_chemical_formula_sum "Li3 Mn2 Co1 O6"
_cell_length_a 5.23924799
_cell_length_b 5.25225266
_cell_length_c 5.10120777
_cell_angle_alpha 59.026436149999995
_cell_angle_beta 101.16203305000002
_cell_angle_gamma 112.05130355
... | data_image0
_chemical_formula_structural Li3Mn2CoO6Ni
_chemical_formula_sum "Li3 Mn2 Co1 O6 Ni1"
_cell_length_a 5.23924799
_cell_length_b 5.25225266
_cell_length_c 5.10120777
_cell_angle_alpha 59.026436149999995
_cell_angle_beta 101.16203305000002
_cell_angle_gamma 112.051... |
InsertBetweenAtomsAction | 5367317d-f3e2-4617-86c0-1ea0c6449f9e | mp-1220773 | Insert a Br atom in the line between atoms at indices 25 and 36, and the inserted atom must be 3.14 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Ni43Ge3B12
_chemical_formula_sum "Ni43 Ge3 B12"
_cell_length_a 12.81606664
_cell_length_b 12.816066640000003
_cell_length_c 12.81606681
_cell_angle_alpha 33.555098560000026
_cell_angle_beta 33.55509856000001
_cell_angle_gamma 33.555... | data_image0
_chemical_formula_structural Ni43Ge3B12Br
_chemical_formula_sum "Ni43 Ge3 B12 Br1"
_cell_length_a 12.81606664
_cell_length_b 12.816066640000003
_cell_length_c 12.81606681
_cell_angle_alpha 33.555098560000026
_cell_angle_beta 33.55509856000001
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 4c3b664c-d319-450c-95c2-2a4416ece1cb | mp-1246779 | Insert a Th atom in the line between atoms at indices 22 and 21, and the inserted atom must be 1.57 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N12Th
_chemical_formula_sum "Ba10 Hf4 N12 Th1"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_g... |
InsertBetweenAtomsAction | 68f0c2b5-ae3c-41a5-8ed8-4666ac433804 | mp-11639 | Insert a Fe atom in the line between atoms at indices 10 and 5, and the inserted atom must be 8.20 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S6Fe
_chemical_formula_sum "Rb4 Ge2 S6 Fe1"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_s... |
InsertBetweenAtomsAction | 4bb0288b-69ac-4287-8d29-227d577932f5 | mp-697575 | Insert a Hf atom in the line between atoms at indices 7 and 19, and the inserted atom must be 2.97 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 Rb8Zn4H16Hf
_chemical_formula_sum "Rb8 Zn4 H16 Hf1"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | c464a909-574f-4f70-a1ec-9d89bc477def | mp-1200784 | Insert a Db atom in the line between atoms at indices 35 and 22, and the inserted atom must be 2.82 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Sn2H12Cl4O22
_chemical_formula_sum "Sn2 H12 Cl4 O22"
_cell_length_a 7.26600482
_cell_length_b 7.26600482
_cell_length_c 9.984168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000751
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sn2H12Cl4O22Db
_chemical_formula_sum "Sn2 H12 Cl4 O22 Db1"
_cell_length_a 7.26600482
_cell_length_b 7.26600482
_cell_length_c 9.984168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000751
_space_group_name_H-... |
InsertBetweenAtomsAction | 42434f6b-fde9-415b-866e-6cd8d9832be1 | mp-3824 | Insert a Sb atom in the line between atoms at indices 10 and 4, and the inserted atom must be 1.93 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta9Ni2S6Sb
_chemical_formula_sum "Ta9 Ni2 S6 Sb1"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 0dd6eb44-af5a-477d-9e2d-80a92d1a0787 | mp-758121 | Insert a V atom in the line between atoms at indices 10 and 16, and the inserted atom must be 3.98 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C6O18V
_chemical_formula_sum "Fe4 C6 O18 V1"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_... |
InsertBetweenAtomsAction | 6a369661-388a-4bf8-9aaa-5effddec88ab | mp-1218172 | Insert a Rb atom in the line between atoms at indices 18 and 23, and the inserted atom must be 1.15 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Sr2Nd2Al6O14
_chemical_formula_sum "Sr2 Nd2 Al6 O14"
_cell_length_a 7.9182988
_cell_length_b 7.9182988
_cell_length_c 5.241025
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.23993485999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sr2Nd2Al6O14Rb
_chemical_formula_sum "Sr2 Nd2 Al6 O14 Rb1"
_cell_length_a 7.9182988
_cell_length_b 7.9182988
_cell_length_c 5.241025
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.23993485999999
_space_group_name... |
InsertBetweenAtomsAction | dc27dc3c-4253-4526-8648-1bb3e0ded358 | mp-1214420 | Insert a Po atom in the line between atoms at indices 0 and 6, and the inserted atom must be 1.20 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... | data_image0
_chemical_formula_structural Ba2Hf2F12Po
_chemical_formula_sum "Ba2 Hf2 F12 Po1"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group... |
InsertBetweenAtomsAction | 84a29aed-8c0f-40cf-a1a5-4f0e8448bd8b | mp-29802 | Insert a Lr atom in the line between atoms at indices 51 and 44, and the inserted atom must be 2.20 angstrom from atom at 51 in the cif file. | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sc4Ni24Ge24Lr
_chemical_formula_sum "Sc4 Ni24 Ge24 Lr1"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_na... |
InsertBetweenAtomsAction | 957d4e35-86f0-4a0f-9ddf-456f2c5cfd4f | mp-1211877 | Insert a Br atom in the line between atoms at indices 26 and 0, and the inserted atom must be 2.32 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4P2H6Se2O16Br
_chemical_formula_sum "K4 P2 H6 Se2 O16 Br1"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 11d4b1af-c4b2-40e4-9393-ff485ca25512 | mp-774656 | Insert a As atom in the line between atoms at indices 25 and 17, and the inserted atom must be 5.15 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li5Ti6FeO16As
_chemical_formula_sum "Li5 Ti6 Fe1 O16 As1"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 6d754a3b-a31a-4d7d-a952-0b21ffc77cec | mp-1442904 | Insert a Se atom in the line between atoms at indices 1 and 0, and the inserted atom must be 1.11 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ca2Cu2F10
_chemical_formula_sum "Ca2 Cu2 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca2Cu2F10Se
_chemical_formula_sum "Ca2 Cu2 F10 Se1"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_n... |
InsertBetweenAtomsAction | c51a444f-31d4-4fb9-ad44-69f113687512 | mp-1190477 | Insert a Sg atom in the line between atoms at indices 20 and 15, and the inserted atom must be 1.17 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural K2Li2C8N12
_chemical_formula_sum "K2 Li2 C8 N12"
_cell_length_a 7.284131
_cell_length_b 7.284131
_cell_length_c 8.7752841
_cell_angle_alpha 114.52163517
_cell_angle_beta 114.52163517
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K2Li2C8N12Sg
_chemical_formula_sum "K2 Li2 C8 N12 Sg1"
_cell_length_a 7.284131
_cell_length_b 7.284131
_cell_length_c 8.7752841
_cell_angle_alpha 114.52163517
_cell_angle_beta 114.52163517
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | b50dbc11-abbe-424f-99a1-16043647571b | mp-28297 | Insert a Mg atom in the line between atoms at indices 32 and 29, and the inserted atom must be 2.66 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_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 Nd12S8Br20Mg
_chemical_formula_sum "Nd12 S8 Br20 Mg1"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | a1ce37df-80a1-45c5-8edd-0e6fc2a3e82f | mp-1193572 | Insert a Ne atom in the line between atoms at indices 9 and 1, and the inserted atom must be 0.55 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mg2Mo4N4O20
_chemical_formula_sum "Mg2 Mo4 N4 O20"
_cell_length_a 5.91235041
_cell_length_b 6.43273011
_cell_length_c 15.561932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.16113344000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Mg2Mo4N4O20Ne
_chemical_formula_sum "Mg2 Mo4 N4 O20 Ne1"
_cell_length_a 5.91235041
_cell_length_b 6.43273011
_cell_length_c 15.561932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.16113344000001
_space_group_na... |
InsertBetweenAtomsAction | 2c774bfc-0333-463d-a9c9-a48c23b0e06a | mp-1213210 | Insert a Ge atom in the line between atoms at indices 52 and 20, and the inserted atom must be 0.62 angstrom from atom at 52 in the cif file. | data_image0
_chemical_formula_structural Dy4Au10F42
_chemical_formula_sum "Dy4 Au10 F42"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491999999... | data_image0
_chemical_formula_structural Dy4Au10F42Ge
_chemical_formula_sum "Dy4 Au10 F42 Ge1"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491... |
InsertBetweenAtomsAction | 77329aa0-c2dd-4d4b-80c3-c6d317d44a28 | mp-1094347 | Insert a Ac atom in the line between atoms at indices 4 and 11, and the inserted atom must be 2.48 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_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_n... | data_image0
_chemical_formula_structural Mg6Ti6Ac
_chemical_formula_sum "Mg6 Ti6 Ac1"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
InsertBetweenAtomsAction | 2b354e58-6d74-48c2-923b-82bb2cb7b64d | mp-1028120 | Insert a Th atom in the line between atoms at indices 13 and 1, and the inserted atom must be 0.77 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural CaMg14CTh
_chemical_formula_sum "Ca1 Mg14 C1 Th1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | bc6ec0a6-d62c-444b-bfb6-dc9e5bb0b64f | mp-1219272 | Insert a Dy atom in the line between atoms at indices 37 and 41, and the inserted atom must be 3.37 angstrom from atom at 37 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 Sm4CrFe33C4Dy
_chemical_formula_sum "Sm4 Cr1 Fe33 C4 Dy1"
_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 | a23d6e80-6ec2-44f0-8cc5-a25ecdf10aa9 | mp-20399 | Insert a Al atom in the line between atoms at indices 15 and 10, and the inserted atom must be 6.85 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ba4Mn2Mo2O12
_chemical_formula_sum "Ba4 Mn2 Mo2 O12"
_cell_length_a 5.88137151
_cell_length_b 5.88137067
_cell_length_c 10.18683375
_cell_angle_alpha 106.77865099
_cell_angle_beta 73.22134409
_cell_angle_gamma 119.99999968
_space_g... | data_image0
_chemical_formula_structural Ba4Mn2Mo2O12Al
_chemical_formula_sum "Ba4 Mn2 Mo2 O12 Al1"
_cell_length_a 5.88137151
_cell_length_b 5.88137067
_cell_length_c 10.18683375
_cell_angle_alpha 106.77865099
_cell_angle_beta 73.22134409
_cell_angle_gamma 119.99999968
_s... |
InsertBetweenAtomsAction | 8977f099-0077-4e54-be14-912a51d03052 | mp-20014 | Insert a Ds atom in the line between atoms at indices 28 and 14, and the inserted atom must be 1.27 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_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 Al4V4Mo4O28Ds
_chemical_formula_sum "Al4 V4 Mo4 O28 Ds1"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | afb44e26-cc21-4473-9684-e202a1c8ee81 | mp-759254 | Insert a Bi atom in the line between atoms at indices 68 and 15, and the inserted atom must be 1.98 angstrom from atom at 68 in the cif file. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48Bi
_chemical_formula_sum "Li2 Bi9 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.861876... |
InsertBetweenAtomsAction | 3aa32d05-7838-461a-933d-2c1736793001 | mp-1189578 | Insert a Cu atom in the line between atoms at indices 14 and 3, and the inserted atom must be 7.77 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural V4N4O12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 V4N4O12Cu
_chemical_formula_sum "V4 N4 O12 Cu1"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 | b7d7f36c-b1e0-4d36-8cc0-c52b20ebefc7 | mp-557589 | Insert a Nd atom in the line between atoms at indices 55 and 50, and the inserted atom must be 6.04 angstrom from atom at 55 in the cif file. | data_image0
_chemical_formula_structural Tl4Zn4P12O36
_chemical_formula_sum "Tl4 Zn4 P12 O36"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_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 Tl4Zn4P12O36Nd
_chemical_formula_sum "Tl4 Zn4 P12 O36 Nd1"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 292f99da-7702-41ec-8fab-60303ca4fe98 | mp-2220314 | Insert a Ne atom in the line between atoms at indices 3 and 11, and the inserted atom must be 5.28 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural MgFe12O12F12
_chemical_formula_sum "Mg1 Fe12 O12 F12"
_cell_length_a 9.56777255
_cell_length_b 14.660525789999998
_cell_length_c 3.10437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.46622766
_space_group_name_H... | data_image0
_chemical_formula_structural MgFe12O12F12Ne
_chemical_formula_sum "Mg1 Fe12 O12 F12 Ne1"
_cell_length_a 9.56777255
_cell_length_b 14.660525789999998
_cell_length_c 3.10437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.46622766
_space_group_... |
InsertBetweenAtomsAction | a4d72773-2e04-4ec9-8c0f-5f4819e5a1b4 | mp-27362 | Insert a Pt atom in the line between atoms at indices 0 and 9, and the inserted atom must be 0.92 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Nb2S4Cl4
_chemical_formula_sum "Nb2 S4 Cl4"
_cell_length_a 6.32291907
_cell_length_b 6.427755
_cell_length_c 7.03413439
_cell_angle_alpha 79.78236948
_cell_angle_beta 68.85944313000002
_cell_angle_gamma 60.538071820000006
_space_gr... | data_image0
_chemical_formula_structural Nb2S4Cl4Pt
_chemical_formula_sum "Nb2 S4 Cl4 Pt1"
_cell_length_a 6.32291907
_cell_length_b 6.427755
_cell_length_c 7.03413439
_cell_angle_alpha 79.78236948
_cell_angle_beta 68.85944313000002
_cell_angle_gamma 60.538071820000006
_sp... |
InsertBetweenAtomsAction | 17c9be9e-064a-46aa-a8d8-6b6bba4e8697 | mp-1103827 | Insert a Sm atom in the line between atoms at indices 10 and 0, and the inserted atom must be 1.00 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cu2N4F8Sm
_chemical_formula_sum "Cu2 N4 F8 Sm1"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt... |
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