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 | c8c4b7ea-64ef-4a7c-9265-0285bfa952aa | mp-1176381 | Insert a Cd atom in the line between atoms at indices 12 and 4, and the inserted atom must be 1.02 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Na4Li2Fe2P2C2O14
_chemical_formula_sum "Na4 Li2 Fe2 P2 C2 O14"
_cell_length_a 5.160677
_cell_length_b 6.65493372
_cell_length_c 8.860766310000002
_cell_angle_alpha 89.02148639
_cell_angle_beta 87.9522642
_cell_angle_gamma 89.8605170... | data_image0
_chemical_formula_structural Na4Li2Fe2P2C2O14Cd
_chemical_formula_sum "Na4 Li2 Fe2 P2 C2 O14 Cd1"
_cell_length_a 5.160677
_cell_length_b 6.65493372
_cell_length_c 8.860766310000002
_cell_angle_alpha 89.02148639
_cell_angle_beta 87.9522642
_cell_angle_gamma 89.8... |
InsertBetweenAtomsAction | 8efe2cf8-2065-4a8c-ac5a-eaa37eeeed8c | mp-1206399 | Insert a Ag atom in the line between atoms at indices 3 and 4, and the inserted atom must be 1.10 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiVCl6Ag
_chemical_formula_sum "Rb2 Li1 V1 Cl6 Ag1"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_grou... |
InsertBetweenAtomsAction | 5de712b7-b17b-4e45-839e-7f8b5ae307ac | mp-1219666 | Insert a Md atom in the line between atoms at indices 3 and 10, and the inserted atom must be 0.71 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Rb3Se2O8
_chemical_formula_sum "Rb3 Se2 O8"
_cell_length_a 6.15841454
_cell_length_b 6.15841454
_cell_length_c 8.52826787
_cell_angle_alpha 67.49247653
_cell_angle_beta 67.49247652999999
_cell_angle_gamma 60.11680434000001
_space_g... | data_image0
_chemical_formula_structural Rb3Se2O8Md
_chemical_formula_sum "Rb3 Se2 O8 Md1"
_cell_length_a 6.15841454
_cell_length_b 6.15841454
_cell_length_c 8.52826787
_cell_angle_alpha 67.49247653
_cell_angle_beta 67.49247652999999
_cell_angle_gamma 60.11680434000001
_s... |
InsertBetweenAtomsAction | b667ab77-1945-4723-ac52-87061ef0b547 | mp-1190028 | Insert a Eu atom in the line between atoms at indices 13 and 12, and the inserted atom must be 3.10 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Tm3Al9Ni6Eu
_chemical_formula_sum "Tm3 Al9 Ni6 Eu1"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H... |
InsertBetweenAtomsAction | ac98b615-1274-4a07-8312-e110780c4b0a | mp-1042880 | Insert a Ca atom in the line between atoms at indices 9 and 0, and the inserted atom must be 2.18 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Zn4Ni6O16
_chemical_formula_sum "Zn4 Ni6 O16"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn4Ni6O16Ca
_chemical_formula_sum "Zn4 Ni6 O16 Ca1"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7808e8da-5412-45a7-83d8-a72e34f5a091 | mp-1217245 | Insert a Se atom in the line between atoms at indices 17 and 20, and the inserted atom must be 1.24 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ti3FeBi5O15
_chemical_formula_sum "Ti3 Fe1 Bi5 O15"
_cell_length_a 3.9680035
_cell_length_b 3.9680035
_cell_length_c 20.70600862
_cell_angle_alpha 84.57108651
_cell_angle_beta 84.57108651
_cell_angle_gamma 88.55952303
_space_group_... | data_image0
_chemical_formula_structural Ti3FeBi5O15Se
_chemical_formula_sum "Ti3 Fe1 Bi5 O15 Se1"
_cell_length_a 3.9680035
_cell_length_b 3.9680035
_cell_length_c 20.70600862
_cell_angle_alpha 84.57108651
_cell_angle_beta 84.57108651
_cell_angle_gamma 88.55952303
_space_... |
InsertBetweenAtomsAction | bcccec8e-6c0f-4041-896d-bc5d1c76691f | mp-755643 | Insert a Be atom in the line between atoms at indices 3 and 5, and the inserted atom must be 1.55 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Rb6In2O6
_chemical_formula_sum "Rb6 In2 O6"
_cell_length_a 7.06166937
_cell_length_b 7.06166937
_cell_length_c 6.99356755
_cell_angle_alpha 84.12665671
_cell_angle_beta 84.12665671
_cell_angle_gamma 114.54365522
_space_group_name_H... | data_image0
_chemical_formula_structural Rb6In2O6Be
_chemical_formula_sum "Rb6 In2 O6 Be1"
_cell_length_a 7.06166937
_cell_length_b 7.06166937
_cell_length_c 6.99356755
_cell_angle_alpha 84.12665671
_cell_angle_beta 84.12665671
_cell_angle_gamma 114.54365522
_space_group_... |
InsertBetweenAtomsAction | 0f0c83f2-80ab-4e6c-9a9d-67a264341200 | mp-554749 | Insert a Mc atom in the line between atoms at indices 29 and 45, and the inserted atom must be 10.42 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P18Ir6O54Mc
_chemical_formula_sum "P18 Ir6 O54 Mc1"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_gr... |
InsertBetweenAtomsAction | e8cdb411-631a-40a3-9ca5-f616887f770d | mp-1110571 | Insert a Hf atom in the line between atoms at indices 9 and 5, and the inserted atom must be 1.59 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6Hf
_chemical_formula_sum "Na3 Cr1 F6 Hf1"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group... |
InsertBetweenAtomsAction | ec367754-71b6-422e-8117-a551cf03789e | mp-1190284 | Insert a Xe atom in the line between atoms at indices 5 and 4, and the inserted atom must be 21.13 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Bi8Se9
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... | data_image0
_chemical_formula_structural Bi8Se9Xe
_chemical_formula_sum "Bi8 Se9 Xe1"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group... |
InsertBetweenAtomsAction | 315bc360-6b26-4905-ba58-993c6db638d6 | mp-1028272 | Insert a Kr atom in the line between atoms at indices 10 and 15, and the inserted atom must be 1.06 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... | data_image0
_chemical_formula_structural Mg14TiSnKr
_chemical_formula_sum "Mg14 Ti1 Sn1 Kr1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_... |
InsertBetweenAtomsAction | 9f74224c-e319-46cb-911c-ef3a8f054256 | mp-705004 | Insert a Sm atom in the line between atoms at indices 26 and 29, and the inserted atom must be 2.50 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li2Ni2P10O30
_chemical_formula_sum "Li2 Ni2 P10 O30"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li2Ni2P10O30Sm
_chemical_formula_sum "Li2 Ni2 P10 O30 Sm1"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 0dbbb402-3436-4c2e-a62e-5a70eaca8f13 | mp-1112589 | Insert a Cs atom in the line between atoms at indices 8 and 3, and the inserted atom must be 5.03 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs2HgPdF6Cs
_chemical_formula_sum "Cs3 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 4e1e8c7f-ea72-4704-8035-6672ddb148e4 | mp-1402005 | Insert a Rn atom in the line between atoms at indices 3 and 8, and the inserted atom must be 4.24 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ca2Co4O8
_chemical_formula_sum "Ca2 Co4 O8"
_cell_length_a 5.99513272
_cell_length_b 5.99513272
_cell_length_c 5.995132719999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Ca2Co4O8Rn
_chemical_formula_sum "Ca2 Co4 O8 Rn1"
_cell_length_a 5.99513272
_cell_length_b 5.99513272
_cell_length_c 5.995132719999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999... |
InsertBetweenAtomsAction | 2e2bce35-caef-40e4-a24e-9473e12f8322 | mp-18612 | Insert a Cm atom in the line between atoms at indices 6 and 27, and the inserted atom must be 1.19 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Rb8Mo4S16
_chemical_formula_sum "Rb8 Mo4 S16"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_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 Rb8Mo4S16Cm
_chemical_formula_sum "Rb8 Mo4 S16 Cm1"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 15cc173f-5727-4eae-92ea-b73183e3a31e | mp-706446 | Insert a Nb atom in the line between atoms at indices 34 and 2, and the inserted atom must be 1.07 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Cs2Ti2H20C8O26
_chemical_formula_sum "Cs2 Ti2 H20 C8 O26"
_cell_length_a 11.945101
_cell_length_b 7.228416
_cell_length_c 8.01565343
_cell_angle_alpha 77.92295186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2Ti2H20C8O26Nb
_chemical_formula_sum "Cs2 Ti2 H20 C8 O26 Nb1"
_cell_length_a 11.945101
_cell_length_b 7.228416
_cell_length_c 8.01565343
_cell_angle_alpha 77.92295186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 2a05b954-2584-4b30-b05f-276a6a005e13 | mp-755976 | Insert a Sm atom in the line between atoms at indices 0 and 16, and the inserted atom must be 2.31 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li2MnV4FeO12
_chemical_formula_sum "Li2 Mn1 V4 Fe1 O12"
_cell_length_a 6.99287548
_cell_length_b 6.99287548
_cell_length_c 5.82796424
_cell_angle_alpha 74.53045529
_cell_angle_beta 74.53045529
_cell_angle_gamma 83.17459747
_space_g... | data_image0
_chemical_formula_structural Li2MnV4FeO12Sm
_chemical_formula_sum "Li2 Mn1 V4 Fe1 O12 Sm1"
_cell_length_a 6.99287548
_cell_length_b 6.99287548
_cell_length_c 5.82796424
_cell_angle_alpha 74.53045529
_cell_angle_beta 74.53045529
_cell_angle_gamma 83.17459747
_s... |
InsertBetweenAtomsAction | c098be64-fb0e-47e6-8e1b-195e9cb17b16 | mp-1522056 | Insert a Lr atom in the line between atoms at indices 6 and 7, and the inserted atom must be 2.59 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... | data_image0
_chemical_formula_structural CaEuTiSnO6Lr
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6 Lr1"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... |
InsertBetweenAtomsAction | e42bc667-1ee7-4482-9444-4fe46efefb3e | mp-1100614 | Insert a Fl atom in the line between atoms at indices 4 and 0, and the inserted atom must be 14.82 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 19.31409866
_cell_length_b 19.31409866
_cell_length_c 5.18226634
_cell_angle_alpha 88.41600811
_cell_angle_beta 88.41600811
_cell_angle_gamma 8.55319050000004
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Fl
_chemical_formula_sum "Li9 Mn2 Co5 O16 Fl1"
_cell_length_a 19.31409866
_cell_length_b 19.31409866
_cell_length_c 5.18226634
_cell_angle_alpha 88.41600811
_cell_angle_beta 88.41600811
_cell_angle_gamma 8.55319050000004... |
InsertBetweenAtomsAction | ae9bbaa4-128f-434f-a152-2c50effd3e67 | mp-1110828 | Insert a Yb atom in the line between atoms at indices 9 and 5, and the inserted atom must be 0.97 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural K2NaTaF6Yb
_chemical_formula_sum "K2 Na1 Ta1 F6 Yb1"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | e14bec12-a9fe-433c-877c-950a93c70651 | mp-2224725 | Insert a Y atom in the line between atoms at indices 12 and 3, and the inserted atom must be 0.54 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural MgV4O8F4
_chemical_formula_sum "Mg1 V4 O8 F4"
_cell_length_a 5.16647683
_cell_length_b 9.2913961
_cell_length_c 5.06689325
_cell_angle_alpha 103.06768326999999
_cell_angle_beta 117.59282424000001
_cell_angle_gamma 77.03198738
_spac... | data_image0
_chemical_formula_structural MgV4O8F4Y
_chemical_formula_sum "Mg1 V4 O8 F4 Y1"
_cell_length_a 5.16647683
_cell_length_b 9.2913961
_cell_length_c 5.06689325
_cell_angle_alpha 103.06768326999999
_cell_angle_beta 117.59282424000001
_cell_angle_gamma 77.03198738
_... |
InsertBetweenAtomsAction | 9ab37113-47c2-4ad8-8c3a-b91c62e4aebc | mp-1193573 | Insert a Ru atom in the line between atoms at indices 8 and 7, and the inserted atom must be 4.45 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... | data_image0
_chemical_formula_structural Eu2Ni18Ge8Ru
_chemical_formula_sum "Eu2 Ni18 Ge8 Ru1"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445... |
InsertBetweenAtomsAction | 934556dc-2d70-4ccb-aeb0-77c8b6bf9ccd | mp-1520146 | Insert a Rb atom in the line between atoms at indices 2 and 0, and the inserted atom must be 2.39 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ba2PrTiO6
_chemical_formula_sum "Ba2 Pr1 Ti1 O6"
_cell_length_a 6.12040321
_cell_length_b 6.120403210000001
_cell_length_c 6.12040321
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... | data_image0
_chemical_formula_structural Ba2PrTiO6Rb
_chemical_formula_sum "Ba2 Pr1 Ti1 O6 Rb1"
_cell_length_a 6.12040321
_cell_length_b 6.120403210000001
_cell_length_c 6.12040321
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
InsertBetweenAtomsAction | adec69dc-17c5-405d-891f-49ae13bf286c | mp-8762 | Insert a Nh atom in the line between atoms at indices 10 and 13, and the inserted atom must be 2.29 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4Nh
_chemical_formula_sum "Er8 S8 O4 Nh1"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | d495275b-3fe8-4dc4-bd1b-888d91eca2cc | mp-1044413 | Insert a Db atom in the line between atoms at indices 15 and 0, and the inserted atom must be 2.09 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Zn4Fe4Bi4O20
_chemical_formula_sum "Zn4 Fe4 Bi4 O20"
_cell_length_a 10.499317
_cell_length_b 5.349085
_cell_length_c 8.526569
_cell_angle_alpha 71.10196895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Zn4Fe4Bi4O20Db
_chemical_formula_sum "Zn4 Fe4 Bi4 O20 Db1"
_cell_length_a 10.499317
_cell_length_b 5.349085
_cell_length_c 8.526569
_cell_angle_alpha 71.10196895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | b9ed6c46-d1a0-4226-801e-28b6b1755e35 | mp-568693 | Insert a Bh atom in the line between atoms at indices 22 and 2, and the inserted atom must be 3.78 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... | data_image0
_chemical_formula_structural Gd2Al18Ni6Bh
_chemical_formula_sum "Gd2 Al18 Ni6 Bh1"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_... |
InsertBetweenAtomsAction | d660a5cc-7f00-4539-b31e-aa829e6a54a3 | mp-557871 | Insert a Mn atom in the line between atoms at indices 10 and 11, and the inserted atom must be 0.99 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... | data_image0
_chemical_formula_structural Cu2As2Pb2O8Mn
_chemical_formula_sum "Cu2 As2 Pb2 O8 Mn1"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_sp... |
InsertBetweenAtomsAction | cc91ae7c-ca71-43e1-ae98-a780bb6b594e | mp-1247260 | Insert a Os atom in the line between atoms at indices 35 and 1, and the inserted atom must be 2.71 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Ga16Te12N8
_chemical_formula_sum "Ga16 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ga16Te12N8Os
_chemical_formula_sum "Ga16 Te12 N8 Os1"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 6797b7b6-6841-438a-b05c-4860dc718dc1 | mp-17446 | Insert a W atom in the line between atoms at indices 4 and 18, and the inserted atom must be 7.14 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Pr4Pt4F28
_chemical_formula_sum "Pr4 Pt4 F28"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr4Pt4F28W
_chemical_formula_sum "Pr4 Pt4 F28 W1"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 932df386-d801-46d5-ad39-076aeadb65b5 | mp-1179123 | Insert a Hg atom in the line between atoms at indices 20 and 33, and the inserted atom must be 4.41 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural U12O40
_chemical_formula_sum "U12 O40"
_cell_length_a 20.445114
_cell_length_b 5.881327
_cell_length_c 7.99873712
_cell_angle_alpha 62.64545598
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural U12O40Hg
_chemical_formula_sum "U12 O40 Hg1"
_cell_length_a 20.445114
_cell_length_b 5.881327
_cell_length_c 7.99873712
_cell_angle_alpha 62.64545598
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 3a2ceb9f-fcaf-4d67-b5d4-169473463f9a | mp-1246639 | Insert a N atom in the line between atoms at indices 4 and 16, and the inserted atom must be 3.51 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Nb6Pb6N10
_chemical_formula_sum "Nb6 Pb6 N10"
_cell_length_a 6.38022584
_cell_length_b 7.95680505
_cell_length_c 9.24835502
_cell_angle_alpha 104.97785735000001
_cell_angle_beta 96.23365096
_cell_angle_gamma 104.06418794000001
_spa... | data_image0
_chemical_formula_structural Nb6Pb6N11
_chemical_formula_sum "Nb6 Pb6 N11"
_cell_length_a 6.38022584
_cell_length_b 7.95680505
_cell_length_c 9.24835502
_cell_angle_alpha 104.97785735000001
_cell_angle_beta 96.23365096
_cell_angle_gamma 104.06418794000001
_spa... |
InsertBetweenAtomsAction | 58154f6f-eae5-4f76-ae38-af53ee080370 | mp-697774 | Insert a Au atom in the line between atoms at indices 16 and 35, and the inserted atom must be 10.63 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li8Cr4P8O32
_chemical_formula_sum "Li8 Cr4 P8 O32"
_cell_length_a 17.437115
_cell_length_b 4.884287
_cell_length_c 6.59633722
_cell_angle_alpha 85.48475802999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Cr4P8O32Au
_chemical_formula_sum "Li8 Cr4 P8 O32 Au1"
_cell_length_a 17.437115
_cell_length_b 4.884287
_cell_length_c 6.59633722
_cell_angle_alpha 85.48475802999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | aba8ca64-71f6-4af3-a7ff-cccee5d66493 | mp-28457 | Insert a Xe atom in the line between atoms at indices 13 and 5, and the inserted atom must be 2.85 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... | data_image0
_chemical_formula_structural Ba2Ta15O32Xe
_chemical_formula_sum "Ba2 Ta15 O32 Xe1"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675... |
InsertBetweenAtomsAction | f3faa3aa-9cf3-4fd0-ab1d-d15b0381497c | mp-754121 | Insert a Li atom in the line between atoms at indices 3 and 1, and the inserted atom must be 0.48 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4Al2Co2O8
_chemical_formula_sum "Li4 Al2 Co2 O8"
_cell_length_a 5.003307
_cell_length_b 5.503017
_cell_length_c 6.240762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Li4Al2Co2O8Li
_chemical_formula_sum "Li5 Al2 Co2 O8"
_cell_length_a 5.003307
_cell_length_b 5.503017
_cell_length_c 6.240762
_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 | e04732ca-4080-4dc6-b202-9181d010ce27 | mp-1227224 | Insert a Sr atom in the line between atoms at indices 37 and 3, and the inserted atom must be 4.35 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24Sr
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24 Sr1"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | f92490e5-5bfa-4dc5-b0e0-7c6e69d8b416 | mp-1102706 | Insert a Es atom in the line between atoms at indices 3 and 1, and the inserted atom must be 2.80 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Eu3Ga8
_chemical_formula_sum "Eu3 Ga8"
_cell_length_a 13.19680096
_cell_length_b 13.19680096
_cell_length_c 13.19680096
_cell_angle_alpha 160.74251643000002
_cell_angle_beta 160.19978947
_cell_angle_gamma 27.75764840999999
_space_g... | data_image0
_chemical_formula_structural Eu3Ga8Es
_chemical_formula_sum "Eu3 Ga8 Es1"
_cell_length_a 13.19680096
_cell_length_b 13.19680096
_cell_length_c 13.19680096
_cell_angle_alpha 160.74251643000002
_cell_angle_beta 160.19978947
_cell_angle_gamma 27.75764840999999
_s... |
InsertBetweenAtomsAction | 110be3b0-a486-4afd-af15-86d70138c6d5 | mp-1192578 | Insert a Bh atom in the line between atoms at indices 14 and 7, and the inserted atom must be 5.06 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... | data_image0
_chemical_formula_structural K2Ca4USi4O16Bh
_chemical_formula_sum "K2 Ca4 U1 Si4 O16 Bh1"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087... |
InsertBetweenAtomsAction | 7f0891cc-1bb4-470b-a59a-2fcd24ac01f2 | mp-756031 | Insert a Sr atom in the line between atoms at indices 17 and 21, and the inserted atom must be 1.13 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... | data_image0
_chemical_formula_structural Li4Co4O2F12Sr
_chemical_formula_sum "Li4 Co4 O2 F12 Sr1"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.7124135299999... |
InsertBetweenAtomsAction | f98890a8-6e68-4349-a2a2-d660b0d30410 | mp-30667 | Insert a Cl atom in the line between atoms at indices 28 and 22, and the inserted atom must be 6.73 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Sr32Ga28
_chemical_formula_sum "Sr32 Ga28"
_cell_length_a 12.4439314
_cell_length_b 12.4439314
_cell_length_c 12.4439314
_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 Sr32Ga28Cl
_chemical_formula_sum "Sr32 Ga28 Cl1"
_cell_length_a 12.4439314
_cell_length_b 12.4439314
_cell_length_c 12.4439314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 4569d74b-dbd0-4c0d-abb3-fb4211adc5b3 | mp-661715 | Insert a Md atom in the line between atoms at indices 3 and 0, and the inserted atom must be 2.70 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2Md
_chemical_formula_sum "Ti2 S2 Cl12 O2 Md1"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_... |
InsertBetweenAtomsAction | ca0eda55-80bc-401e-bdd3-48ff5ad9fc10 | mp-573073 | Insert a Au atom in the line between atoms at indices 58 and 16, and the inserted atom must be 2.59 angstrom from atom at 58 in the cif file. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38Au
_chemical_formula_sum "Cs14 Cu12 F38 Au1"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
InsertBetweenAtomsAction | 890fe9b3-ba99-4364-8be8-a3eddf47bc3a | mp-1226157 | Insert a Sg atom in the line between atoms at indices 10 and 17, and the inserted atom must be 1.01 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2TiW3O12Sg
_chemical_formula_sum "Cs2 Ti1 W3 O12 Sg1"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60... |
InsertBetweenAtomsAction | 6ebd1dd5-8431-495b-adaa-5d34e4e0f425 | mp-1188640 | Insert a Br atom in the line between atoms at indices 7 and 8, and the inserted atom must be 2.18 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr10Sn6As2Br
_chemical_formula_sum "Zr10 Sn6 As2 Br1"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name... |
InsertBetweenAtomsAction | 1ea71183-0327-4619-988f-37c40beca22d | mp-1175936 | Insert a Rb atom in the line between atoms at indices 29 and 17, and the inserted atom must be 3.12 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Rb
_chemical_formula_sum "Li9 Mn2 Co5 O16 Rb1"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411... |
InsertBetweenAtomsAction | 9aa7db48-8640-4fd5-9029-ba30daef0b93 | mp-1041494 | Insert a Es atom in the line between atoms at indices 3 and 4, and the inserted atom must be 2.09 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Mg2Cu4O8
_chemical_formula_sum "Mg2 Cu4 O8"
_cell_length_a 5.86500225
_cell_length_b 5.865002249999999
_cell_length_c 5.865002250000001
_cell_angle_alpha 118.43467495
_cell_angle_beta 118.31981506999999
_cell_angle_gamma 92.83448037... | data_image0
_chemical_formula_structural Mg2Cu4O8Es
_chemical_formula_sum "Mg2 Cu4 O8 Es1"
_cell_length_a 5.86500225
_cell_length_b 5.865002249999999
_cell_length_c 5.865002250000001
_cell_angle_alpha 118.43467495
_cell_angle_beta 118.31981506999999
_cell_angle_gamma 92.83... |
InsertBetweenAtomsAction | 438a45a7-16fa-45be-80a1-bc42756d838a | mp-1041677 | Insert a Hs atom in the line between atoms at indices 18 and 2, and the inserted atom must be 2.98 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... | data_image0
_chemical_formula_structural Mg2Sn2P4O14Hs
_chemical_formula_sum "Mg2 Sn2 P4 O14 Hs1"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.2238066... |
InsertBetweenAtomsAction | 676ed4d2-091c-4da6-a291-8d12d243246f | mp-561179 | Insert a Y atom in the line between atoms at indices 1 and 19, and the inserted atom must be 11.52 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba8Cu4I4O8Y
_chemical_formula_sum "Ba8 Cu4 I4 O8 Y1"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
InsertBetweenAtomsAction | f2fdd547-4989-4ea1-8a36-ce03f137cb4a | mp-755245 | Insert a Lr atom in the line between atoms at indices 0 and 4, and the inserted atom must be 0.82 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li2Cu2P2O8
_chemical_formula_sum "Li2 Cu2 P2 O8"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Cu2P2O8Lr
_chemical_formula_sum "Li2 Cu2 P2 O8 Lr1"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 717187a8-c4e1-47a3-b9e8-dc9c823d0acf | mp-1042982 | Insert a Nd atom in the line between atoms at indices 11 and 37, and the inserted atom must be 5.51 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ca4Ti4Ge8O24
_chemical_formula_sum "Ca4 Ti4 Ge8 O24"
_cell_length_a 8.694751
_cell_length_b 5.417338
_cell_length_c 12.18759108
_cell_angle_alpha 77.25828107
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4Ti4Ge8O24Nd
_chemical_formula_sum "Ca4 Ti4 Ge8 O24 Nd1"
_cell_length_a 8.694751
_cell_length_b 5.417338
_cell_length_c 12.18759108
_cell_angle_alpha 77.25828107
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 3f20b990-21b8-47fc-b5cc-131ee5b09aee | mp-557730 | Insert a He atom in the line between atoms at indices 1 and 11, and the inserted atom must be 7.93 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... | data_image0
_chemical_formula_structural Dy2P6O18He
_chemical_formula_sum "Dy2 P6 O18 He1"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_... |
InsertBetweenAtomsAction | 87104ec6-8365-4835-aedd-0a92386e26b6 | mp-1225213 | Insert a B atom in the line between atoms at indices 11 and 1, and the inserted atom must be 6.66 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Gd16Mg2Al2Ni4
_chemical_formula_sum "Gd16 Mg2 Al2 Ni4"
_cell_length_a 9.63804673
_cell_length_b 9.64592505
_cell_length_c 9.63761693
_cell_angle_alpha 89.97712148
_cell_angle_beta 59.58567098
_cell_angle_gamma 119.59453814
_space_g... | data_image0
_chemical_formula_structural Gd16Mg2Al2Ni4B
_chemical_formula_sum "Gd16 Mg2 Al2 Ni4 B1"
_cell_length_a 9.63804673
_cell_length_b 9.64592505
_cell_length_c 9.63761693
_cell_angle_alpha 89.97712148
_cell_angle_beta 59.58567098
_cell_angle_gamma 119.59453814
_spa... |
InsertBetweenAtomsAction | 83bd8528-5b07-432b-a2f6-ce99a37c9b6a | mp-1195660 | Insert a Ga atom in the line between atoms at indices 20 and 18, and the inserted atom must be 0.58 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48Ga
_chemical_formula_sum "Ba8 Ga3 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.19334... |
InsertBetweenAtomsAction | fdd81763-ad01-4284-8a4e-fa75940b35c9 | mp-1220398 | Insert a No atom in the line between atoms at indices 6 and 4, and the inserted atom must be 3.62 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Nb2Mo2S6
_chemical_formula_sum "Nb2 Mo2 S6"
_cell_length_a 3.28209
_cell_length_b 6.269142
_cell_length_c 8.80014441
_cell_angle_alpha 75.81521402
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Nb2Mo2S6No
_chemical_formula_sum "Nb2 Mo2 S6 No1"
_cell_length_a 3.28209
_cell_length_b 6.269142
_cell_length_c 8.80014441
_cell_angle_alpha 75.81521402
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | e578de2a-dc88-4b96-8d86-56d61b8bc23c | mp-1358572 | Insert a Ba atom in the line between atoms at indices 15 and 1, and the inserted atom must be 5.47 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Cr12O24
_chemical_formula_sum "Cr12 O24"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group_nam... | data_image0
_chemical_formula_structural Cr12O24Ba
_chemical_formula_sum "Cr12 O24 Ba1"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_gro... |
InsertBetweenAtomsAction | ccb9d790-8f25-45ca-9614-34d234bcb017 | mp-1219272 | Insert a Si atom in the line between atoms at indices 21 and 5, and the inserted atom must be 4.16 angstrom from atom at 21 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 Sm4CrFe33C4Si
_chemical_formula_sum "Sm4 Cr1 Fe33 C4 Si1"
_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 | 68ce744f-ac97-4faf-8342-f354a7b4084b | mp-1041677 | Insert a Dy atom in the line between atoms at indices 8 and 4, and the inserted atom must be 1.01 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... | data_image0
_chemical_formula_structural Mg2Sn2P4O14Dy
_chemical_formula_sum "Mg2 Sn2 P4 O14 Dy1"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.2238066... |
InsertBetweenAtomsAction | 2ecdaf0c-49b8-46f3-9bb3-6361488f7b3f | mp-765137 | Insert a Mo atom in the line between atoms at indices 72 and 58, and the inserted atom must be 2.73 angstrom from atom at 72 in the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.775976
_cell_length_b 9.78511963
_cell_length_c 14.093324310000002
_cell_angle_alpha 89.79001539000001
_cell_angle_beta 89.60093575
_cell_angle_gamma 60.392735199... | data_image0
_chemical_formula_structural Li10V6P16O58Mo
_chemical_formula_sum "Li10 V6 P16 O58 Mo1"
_cell_length_a 9.775976
_cell_length_b 9.78511963
_cell_length_c 14.093324310000002
_cell_angle_alpha 89.79001539000001
_cell_angle_beta 89.60093575
_cell_angle_gamma 60.392... |
InsertBetweenAtomsAction | 4131fd1b-b26f-4025-8123-70e05ede3001 | mp-14215 | Insert a Bi atom in the line between atoms at indices 66 and 62, and the inserted atom must be 3.48 angstrom from atom at 66 in the cif file. | data_image0
_chemical_formula_structural Ba32Ge8P32
_chemical_formula_sum "Ba32 Ge8 P32"
_cell_length_a 13.224191
_cell_length_b 13.224191
_cell_length_c 13.224191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ba32Ge8P32Bi
_chemical_formula_sum "Ba32 Ge8 P32 Bi1"
_cell_length_a 13.224191
_cell_length_b 13.224191
_cell_length_c 13.224191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | aeeb5b2b-0f53-48fb-95af-0b1740553859 | mp-1225501 | Insert a Ar atom in the line between atoms at indices 17 and 18, and the inserted atom must be 6.00 angstrom from atom at 17 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 Dy6Al6Fe12Ar
_chemical_formula_sum "Dy6 Al6 Fe12 Ar1"
_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 | 7fb5773c-e6d6-44d2-8f0a-f8b14d0c9aa6 | mp-1040411 | Insert a In atom in the line between atoms at indices 7 and 56, and the inserted atom must be 3.88 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural CsHfMg30O31
_chemical_formula_sum "Cs1 Hf1 Mg30 O31"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... | data_image0
_chemical_formula_structural CsHfMg30O31In
_chemical_formula_sum "Cs1 Hf1 Mg30 O31 In1"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.001... |
InsertBetweenAtomsAction | d0d4113f-0cae-4e4c-b3be-df199e0ac44d | mp-2231482 | Insert a Sr atom in the line between atoms at indices 12 and 4, and the inserted atom must be 0.54 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural MgCo6O8F4
_chemical_formula_sum "Mg1 Co6 O8 F4"
_cell_length_a 8.08584555
_cell_length_b 5.65752565
_cell_length_c 5.82326752
_cell_angle_alpha 65.24668026
_cell_angle_beta 63.46810311000001
_cell_angle_gamma 64.54330281
_space_gro... | data_image0
_chemical_formula_structural MgCo6O8F4Sr
_chemical_formula_sum "Mg1 Co6 O8 F4 Sr1"
_cell_length_a 8.08584555
_cell_length_b 5.65752565
_cell_length_c 5.82326752
_cell_angle_alpha 65.24668026
_cell_angle_beta 63.46810311000001
_cell_angle_gamma 64.54330281
_spa... |
InsertBetweenAtomsAction | 53d3925f-6f24-4b24-aebd-31352236e095 | mp-1222538 | Insert a Y atom in the line between atoms at indices 5 and 1, and the inserted atom must be 1.50 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 4.18470949
_cell_length_b 7.842257359999999
_cell_length_c 5.146401900000001
_cell_angle_alpha 89.66758232999999
_cell_angle_beta 113.96656798
_cell_angle_gamma 74.55276536
_... | data_image0
_chemical_formula_structural Li2V6O8Y
_chemical_formula_sum "Li2 V6 O8 Y1"
_cell_length_a 4.18470949
_cell_length_b 7.842257359999999
_cell_length_c 5.146401900000001
_cell_angle_alpha 89.66758232999999
_cell_angle_beta 113.96656798
_cell_angle_gamma 74.5527653... |
InsertBetweenAtomsAction | 419848dc-17d5-4a67-8522-be395bf7761f | mp-1223827 | Insert a As atom in the line between atoms at indices 3 and 6, and the inserted atom must be 0.51 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... | data_image0
_chemical_formula_structural K2NaNbO2F4As
_chemical_formula_sum "K2 Na1 Nb1 O2 F4 As1"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_spa... |
InsertBetweenAtomsAction | d2ec48a8-a902-4500-b251-c525a0d18c48 | mp-28988 | Insert a Sg atom in the line between atoms at indices 32 and 4, and the inserted atom must be 2.15 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural In28Br36
_chemical_formula_sum "In28 Br36"
_cell_length_a 12.921311
_cell_length_b 12.921311
_cell_length_c 12.921311
_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 In28Br36Sg
_chemical_formula_sum "In28 Br36 Sg1"
_cell_length_a 12.921311
_cell_length_b 12.921311
_cell_length_c 12.921311
_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 | 1de252c9-7645-46a5-a5c4-e30011ccbd51 | mp-755971 | Insert a Hs atom in the line between atoms at indices 9 and 1, and the inserted atom must be 4.67 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li2Mn3TeO8
_chemical_formula_sum "Li2 Mn3 Te1 O8"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_g... | data_image0
_chemical_formula_structural Li2Mn3TeO8Hs
_chemical_formula_sum "Li2 Mn3 Te1 O8 Hs1"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_s... |
InsertBetweenAtomsAction | 149bcb10-49a0-4166-92d1-0936d191f5cf | mp-1331701 | Insert a Po atom in the line between atoms at indices 2 and 14, and the inserted atom must be 2.80 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Mg4Ta2Sn2O12
_chemical_formula_sum "Mg4 Ta2 Sn2 O12"
_cell_length_a 7.822508
_cell_length_b 5.453126
_cell_length_c 5.5392749100000005
_cell_angle_alpha 88.0051843
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mg4Ta2Sn2O12Po
_chemical_formula_sum "Mg4 Ta2 Sn2 O12 Po1"
_cell_length_a 7.822508
_cell_length_b 5.453126
_cell_length_c 5.5392749100000005
_cell_angle_alpha 88.0051843
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 8e31ed1e-88d5-4b31-9476-597aa787260d | mp-775212 | Insert a Pb atom in the line between atoms at indices 21 and 24, and the inserted atom must be 3.40 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... | data_image0
_chemical_formula_structural Mn2V4P6O24Pb
_chemical_formula_sum "Mn2 V4 P6 O24 Pb1"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000... |
InsertBetweenAtomsAction | e09014ef-d093-4789-97c7-1587fde4ee8d | mp-726132 | Insert a Mo atom in the line between atoms at indices 12 and 11, and the inserted atom must be 8.60 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural Ta2N4Cl10Mo
_chemical_formula_sum "Ta2 N4 Cl10 Mo1"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 5... |
InsertBetweenAtomsAction | 663df058-91fb-43b5-9362-d5ffb2450ab9 | mp-1194895 | Insert a Sb atom in the line between atoms at indices 4 and 57, and the inserted atom must be 1.33 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Th8Te12Mo4O52Sb
_chemical_formula_sum "Th8 Te12 Mo4 O52 Sb1"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | f6b15bcf-d423-4ac6-aa41-9bb03488c1c5 | mp-726132 | Insert a Cs atom in the line between atoms at indices 2 and 5, and the inserted atom must be 4.16 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural Ta2N4Cl10Cs
_chemical_formula_sum "Ta2 N4 Cl10 Cs1"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 5... |
InsertBetweenAtomsAction | ca10d426-58dc-4bd1-918c-378c300cac00 | mp-1111080 | Insert a Se atom in the line between atoms at indices 3 and 6, and the inserted atom must be 5.72 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... | data_image0
_chemical_formula_structural K3GaF6Se
_chemical_formula_sum "K3 Ga1 F6 Se1"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
InsertBetweenAtomsAction | be91f17c-0880-4413-9557-f39b15ab7845 | mp-1182503 | Insert a Sc atom in the line between atoms at indices 8 and 32, and the inserted atom must be 0.36 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Fe16O34
_chemical_formula_sum "Fe16 O34"
_cell_length_a 5.88302
_cell_length_b 10.13313594
_cell_length_c 10.4412778
_cell_angle_alpha 90.96816243
_cell_angle_beta 90.07135306999999
_cell_angle_gamma 90.0247319
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe16O34Sc
_chemical_formula_sum "Fe16 O34 Sc1"
_cell_length_a 5.88302
_cell_length_b 10.13313594
_cell_length_c 10.4412778
_cell_angle_alpha 90.96816243
_cell_angle_beta 90.07135306999999
_cell_angle_gamma 90.0247319
_space_group_n... |
InsertBetweenAtomsAction | 4994cc8f-508e-4df5-84bb-14d97b9e6896 | mp-767632 | Insert a Hg atom in the line between atoms at indices 6 and 9, and the inserted atom must be 3.41 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16Hg
_chemical_formula_sum "V4 P4 O16 Hg1"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_gr... |
InsertBetweenAtomsAction | 3f7bf0db-c8f0-4167-89ca-ac0f5bf97337 | mp-1191979 | Insert a Lu atom in the line between atoms at indices 1 and 0, and the inserted atom must be 1.47 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Rb4Tl4F16
_chemical_formula_sum "Rb4 Tl4 F16"
_cell_length_a 6.338922
_cell_length_b 8.451161
_cell_length_c 8.626718
_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 Rb4Tl4F16Lu
_chemical_formula_sum "Rb4 Tl4 F16 Lu1"
_cell_length_a 6.338922
_cell_length_b 8.451161
_cell_length_c 8.626718
_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 | 956d7e6e-fad9-4daf-a1e9-c89350d37499 | mp-1095658 | Insert a Rb atom in the line between atoms at indices 10 and 9, and the inserted atom must be 1.38 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Tb8Au4
_chemical_formula_sum "Tb8 Au4"
_cell_length_a 4.97480589
_cell_length_b 7.11026814
_cell_length_c 8.92548935
_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 Tb8Au4Rb
_chemical_formula_sum "Tb8 Au4 Rb1"
_cell_length_a 4.97480589
_cell_length_b 7.11026814
_cell_length_c 8.92548935
_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 | e2146332-b1c9-44f0-b643-964bdb110fa2 | mp-831055 | Insert a Er atom in the line between atoms at indices 38 and 9, and the inserted atom must be 1.70 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 8.449545
_cell_length_b 6.999415
_cell_length_c 9.187202510000002
_cell_angle_alpha 67.79545209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cr4P8O28Er
_chemical_formula_sum "Li4 Cr4 P8 O28 Er1"
_cell_length_a 8.449545
_cell_length_b 6.999415
_cell_length_c 9.187202510000002
_cell_angle_alpha 67.79545209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 143a593e-d808-4e27-b02f-79a76b413997 | mp-774237 | Insert a Ts atom in the line between atoms at indices 9 and 2, and the inserted atom must be 4.58 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... | data_image0
_chemical_formula_structural Li5Cr2Ni5O12Ts
_chemical_formula_sum "Li5 Cr2 Ni5 O12 Ts1"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29... |
InsertBetweenAtomsAction | 1ca792e7-6a6b-4e54-b680-5a375895324d | mp-1226157 | Insert a Ag atom in the line between atoms at indices 12 and 10, and the inserted atom must be 0.72 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2TiW3O12Ag
_chemical_formula_sum "Cs2 Ti1 W3 O12 Ag1"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60... |
InsertBetweenAtomsAction | 775cd73d-e0ea-40e6-98e6-1e96ad5baf6a | mp-1189135 | Insert a Pr atom in the line between atoms at indices 16 and 4, and the inserted atom must be 1.35 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Dy6Cu6Sb8
_chemical_formula_sum "Dy6 Cu6 Sb8"
_cell_length_a 8.26057995
_cell_length_b 8.26057995
_cell_length_c 8.26057995
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Dy6Cu6Sb8Pr
_chemical_formula_sum "Dy6 Cu6 Sb8 Pr1"
_cell_length_a 8.26057995
_cell_length_b 8.26057995
_cell_length_c 8.26057995
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... |
InsertBetweenAtomsAction | 02657ce4-4caa-46f3-bd4b-c9b24d21409e | mp-1211273 | Insert a Mo atom in the line between atoms at indices 7 and 6, and the inserted atom must be 3.41 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural La4Cr4Se8O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... | data_image0
_chemical_formula_structural La4Cr4Se8O4Mo
_chemical_formula_sum "La4 Cr4 Se8 O4 Mo1"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_n... |
InsertBetweenAtomsAction | 4fc2cbdc-aaf9-4d9e-af3e-cbb96fe95e7d | mp-849289 | Insert a In atom in the line between atoms at indices 33 and 38, and the inserted atom must be 1.43 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Na36Co12O36
_chemical_formula_sum "Na36 Co12 O36"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na36Co12O36In
_chemical_formula_sum "Na36 Co12 O36 In1"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | d1d32685-8d5d-473a-b31b-f793759c1893 | mp-1006616 | Insert a At atom in the line between atoms at indices 6 and 22, and the inserted atom must be 0.25 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Pr2N6O30
_chemical_formula_sum "Pr2 N6 O30"
_cell_length_a 9.09463367
_cell_length_b 11.70079589
_cell_length_c 7.073050710000001
_cell_angle_alpha 91.50830443999999
_cell_angle_beta 115.14060857999999
_cell_angle_gamma 109.12863527... | data_image0
_chemical_formula_structural Pr2N6O30At
_chemical_formula_sum "Pr2 N6 O30 At1"
_cell_length_a 9.09463367
_cell_length_b 11.70079589
_cell_length_c 7.073050710000001
_cell_angle_alpha 91.50830443999999
_cell_angle_beta 115.14060857999999
_cell_angle_gamma 109.12... |
InsertBetweenAtomsAction | 6bb53790-9d25-46e6-bded-c2c157cd9849 | mp-505098 | Insert a Ne atom in the line between atoms at indices 51 and 6, and the inserted atom must be 1.38 angstrom from atom at 51 in the cif file. | data_image0
_chemical_formula_structural Fe8Se12O48
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Fe8Se12O48Ne
_chemical_formula_sum "Fe8 Se12 O48 Ne1"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 02281e83-68cc-4314-a3db-4b8838fe7aae | mp-1222777 | Insert a Yb atom in the line between atoms at indices 16 and 23, and the inserted atom must be 2.94 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li2CePrMo4O16
_chemical_formula_sum "Li2 Ce1 Pr1 Mo4 O16"
_cell_length_a 5.322373
_cell_length_b 5.322373
_cell_length_c 11.537255
_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 Li2CePrMo4O16Yb
_chemical_formula_sum "Li2 Ce1 Pr1 Mo4 O16 Yb1"
_cell_length_a 5.322373
_cell_length_b 5.322373
_cell_length_c 11.537255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f679e6a3-949d-4013-992c-22a9dc6d9632 | mp-1080201 | Insert a Pt atom in the line between atoms at indices 0 and 12, and the inserted atom must be 0.64 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Re12N16Pt
_chemical_formula_sum "Re12 N16 Pt1"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
InsertBetweenAtomsAction | 4645b3dd-6d9c-491a-9384-40831d48f585 | mp-15888 | Insert a Pb atom in the line between atoms at indices 5 and 6, and the inserted atom must be 1.57 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ba2YIrO6
_chemical_formula_sum "Ba2 Y1 Ir1 O6"
_cell_length_a 5.97619074
_cell_length_b 5.97619074
_cell_length_c 5.97619074
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ba2YIrO6Pb
_chemical_formula_sum "Ba2 Y1 Ir1 O6 Pb1"
_cell_length_a 5.97619074
_cell_length_b 5.97619074
_cell_length_c 5.97619074
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
InsertBetweenAtomsAction | d8ddfcbe-37ca-410c-9d39-67aba0c0c244 | mp-1219950 | Insert a Lu atom in the line between atoms at indices 2 and 15, and the inserted atom must be 2.04 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Pr6Ni3Sn14
_chemical_formula_sum "Pr6 Ni3 Sn14"
_cell_length_a 4.58342185
_cell_length_b 4.57783619
_cell_length_c 27.59267038
_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 Pr6Ni3Sn14Lu
_chemical_formula_sum "Pr6 Ni3 Sn14 Lu1"
_cell_length_a 4.58342185
_cell_length_b 4.57783619
_cell_length_c 27.59267038
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 0f16bbc3-86bc-4fb6-8936-26c22f2858f4 | mp-770748 | Insert a Fl atom in the line between atoms at indices 1 and 29, and the inserted atom must be 1.97 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 Gd12Ta4O28Fl
_chemical_formula_sum "Gd12 Ta4 O28 Fl1"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 3a25ecf9-02cc-4efd-a8ae-5288ca830682 | mp-30385 | Insert a Cm atom in the line between atoms at indices 2 and 8, and the inserted atom must be 2.21 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ho8Au4Cm
_chemical_formula_sum "Ho8 Au4 Cm1"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 585c203a-b60c-4cdb-979c-00e61e7c9ef8 | mp-1214717 | Insert a Rn atom in the line between atoms at indices 21 and 34, and the inserted atom must be 0.72 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30Rn
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30 Rn1"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_grou... |
InsertBetweenAtomsAction | 3bf89bbe-0f61-48cb-8f37-51b307725953 | mp-8829 | Insert a Si atom in the line between atoms at indices 1 and 11, and the inserted atom must be 1.78 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_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 Cr4Ga4Se12Si
_chemical_formula_sum "Cr4 Ga4 Se12 Si1"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 65d8461c-8ac7-4d54-a932-3bdca5592eb2 | mp-1174216 | Insert a La atom in the line between atoms at indices 15 and 8, and the inserted atom must be 2.27 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3CoO8
_chemical_formula_sum "Li4 Mn3 Co1 O8"
_cell_length_a 5.08903
_cell_length_b 5.8544980099999995
_cell_length_c 6.02502306
_cell_angle_alpha 61.61996908999999
_cell_angle_beta 77.13094463
_cell_angle_gamma 73.71722812
_sp... | data_image0
_chemical_formula_structural Li4Mn3CoO8La
_chemical_formula_sum "Li4 Mn3 Co1 O8 La1"
_cell_length_a 5.08903
_cell_length_b 5.8544980099999995
_cell_length_c 6.02502306
_cell_angle_alpha 61.61996908999999
_cell_angle_beta 77.13094463
_cell_angle_gamma 73.7172281... |
InsertBetweenAtomsAction | 7eb217de-32d5-4e63-9dff-09c29de4f4ba | mp-558938 | Insert a Ge atom in the line between atoms at indices 47 and 60, and the inserted atom must be 1.82 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural Zn16Si4Te4Pb4O40
_chemical_formula_sum "Zn16 Si4 Te4 Pb4 O40"
_cell_length_a 6.622298
_cell_length_b 8.413329
_cell_length_c 15.842037
_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 Zn16Si4Te4Pb4O40Ge
_chemical_formula_sum "Zn16 Si4 Te4 Pb4 O40 Ge1"
_cell_length_a 6.622298
_cell_length_b 8.413329
_cell_length_c 15.842037
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 9de72afd-2342-43ba-8fd5-b4e1420d96e7 | mp-1194776 | Insert a Fr atom in the line between atoms at indices 16 and 18, and the inserted atom must be 6.53 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Pu2N4O22
_chemical_formula_sum "Pu2 N4 O22"
_cell_length_a 7.364309
_cell_length_b 7.5824605499999995
_cell_length_c 10.34419625
_cell_angle_alpha 82.79390142
_cell_angle_beta 77.72640018
_cell_angle_gamma 67.92998995
_space_group_... | data_image0
_chemical_formula_structural Pu2N4O22Fr
_chemical_formula_sum "Pu2 N4 O22 Fr1"
_cell_length_a 7.364309
_cell_length_b 7.5824605499999995
_cell_length_c 10.34419625
_cell_angle_alpha 82.79390142
_cell_angle_beta 77.72640018
_cell_angle_gamma 67.92998995
_space_... |
InsertBetweenAtomsAction | bb07dade-19b0-4ae5-a21c-2b8d8b2d18b8 | mp-1199114 | Insert a Sn atom in the line between atoms at indices 61 and 56, and the inserted atom must be 4.18 angstrom from atom at 61 in the cif file. | data_image0
_chemical_formula_structural Pu4P8H24C4O32
_chemical_formula_sum "Pu4 P8 H24 C4 O32"
_cell_length_a 5.337554
_cell_length_b 8.573383
_cell_length_c 17.099592490000003
_cell_angle_alpha 90.0
_cell_angle_beta 103.99888517999999
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Pu4P8H24C4O32Sn
_chemical_formula_sum "Pu4 P8 H24 C4 O32 Sn1"
_cell_length_a 5.337554
_cell_length_b 8.573383
_cell_length_c 17.099592490000003
_cell_angle_alpha 90.0
_cell_angle_beta 103.99888517999999
_cell_angle_gamma 90.0
_spac... |
InsertBetweenAtomsAction | db4dce98-bf04-4cc8-9f3a-3f2097595e04 | mp-2503 | Insert a Sr atom in the line between atoms at indices 10 and 19, and the inserted atom must be 0.73 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8Sr
_chemical_formula_sum "Pd14 Se8 Sr1"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_nam... |
InsertBetweenAtomsAction | 04abce9c-928a-4c38-bcfe-377ad7e717c9 | mp-1212795 | Insert a Au atom in the line between atoms at indices 2 and 18, and the inserted atom must be 3.28 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Eu4In4O12
_chemical_formula_sum "Eu4 In4 O12"
_cell_length_a 5.712293
_cell_length_b 5.996883
_cell_length_c 8.162569
_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 Eu4In4O12Au
_chemical_formula_sum "Eu4 In4 O12 Au1"
_cell_length_a 5.712293
_cell_length_b 5.996883
_cell_length_c 8.162569
_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 | b4224128-20a7-4dd3-b8cd-4e473d1b6c80 | mp-1235566 | Insert a Ar atom in the line between atoms at indices 17 and 3, and the inserted atom must be 3.26 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural LiSm4Ti2Mn2O12
_chemical_formula_sum "Li1 Sm4 Ti2 Mn2 O12"
_cell_length_a 5.49944071
_cell_length_b 5.85226931
_cell_length_c 8.08076575
_cell_angle_alpha 90.68396232
_cell_angle_beta 92.62728011999998
_cell_angle_gamma 89.28498085
... | data_image0
_chemical_formula_structural LiSm4Ti2Mn2O12Ar
_chemical_formula_sum "Li1 Sm4 Ti2 Mn2 O12 Ar1"
_cell_length_a 5.49944071
_cell_length_b 5.85226931
_cell_length_c 8.08076575
_cell_angle_alpha 90.68396232
_cell_angle_beta 92.62728011999998
_cell_angle_gamma 89.284... |
InsertBetweenAtomsAction | 6d685942-ae1a-435e-aa18-93e2f5cdb8d1 | mp-18607 | Insert a Li atom in the line between atoms at indices 19 and 13, and the inserted atom must be 3.88 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Mn4Te6O16
_chemical_formula_sum "Mn4 Te6 O16"
_cell_length_a 6.96540129
_cell_length_b 6.96540129
_cell_length_c 11.850641309999999
_cell_angle_alpha 82.66473711
_cell_angle_beta 82.66473711
_cell_angle_gamma 45.40916687
_space_gro... | data_image0
_chemical_formula_structural Mn4Te6O16Li
_chemical_formula_sum "Mn4 Te6 O16 Li1"
_cell_length_a 6.96540129
_cell_length_b 6.96540129
_cell_length_c 11.850641309999999
_cell_angle_alpha 82.66473711
_cell_angle_beta 82.66473711
_cell_angle_gamma 45.40916687
_spa... |
InsertBetweenAtomsAction | 03455886-8a1f-488c-bbea-e1fcc993dcfa | mp-1033383 | Insert a Ac atom in the line between atoms at indices 4 and 10, and the inserted atom must be 0.69 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mg6NbCO8
_chemical_formula_sum "Mg6 Nb1 C1 O8"
_cell_length_a 9.31731571
_cell_length_b 4.19016084
_cell_length_c 4.19016084
_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 Mg6NbCO8Ac
_chemical_formula_sum "Mg6 Nb1 C1 O8 Ac1"
_cell_length_a 9.31731571
_cell_length_b 4.19016084
_cell_length_c 4.19016084
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.