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 | d7a60eb0-05c6-4954-811c-d75149b16d2b | mp-1358572 | Insert a Ar atom in the line between atoms at indices 25 and 18, and the inserted atom must be 1.85 angstrom from atom at 25 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 Cr12O24Ar
_chemical_formula_sum "Cr12 O24 Ar1"
_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 | c757f3bf-d015-48d9-adbc-3e394090ea0e | mp-9563 | Insert a Xe atom in the line between atoms at indices 5 and 7, and the inserted atom must be 2.17 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li12Sb6
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li12Sb6Xe
_chemical_formula_sum "Li12 Sb6 Xe1"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_... |
InsertBetweenAtomsAction | 102d58f0-eec6-4cc6-b031-6056bfa97a45 | mp-1201107 | Insert a Gd atom in the line between atoms at indices 18 and 78, and the inserted atom must be 1.26 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... | data_image0
_chemical_formula_structural Zn2B20H52O16Gd
_chemical_formula_sum "Zn2 B20 H52 O16 Gd1"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332... |
InsertBetweenAtomsAction | f1c830dc-a775-46b2-8121-5d46caaae58e | mp-758878 | Insert a Sb atom in the line between atoms at indices 26 and 1, and the inserted atom must be 1.54 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe8O3F13Sb
_chemical_formula_sum "Li3 Fe8 O3 F13 Sb1"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129... |
InsertBetweenAtomsAction | cc9353e3-d8e1-4489-95e2-c9b557821867 | mp-767746 | Insert a Lr atom in the line between atoms at indices 13 and 22, and the inserted atom must be 5.64 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... | data_image0
_chemical_formula_structural Li12Mn2Fe3O16Lr
_chemical_formula_sum "Li12 Mn2 Fe3 O16 Lr1"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581... |
InsertBetweenAtomsAction | 30b07963-abc1-48cc-80a2-7ebcb3935961 | mp-1200969 | Insert a Tb atom in the line between atoms at indices 67 and 42, and the inserted atom must be 2.76 angstrom from atom at 67 in the cif file. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_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 B12Pb12N4O40Tb
_chemical_formula_sum "B12 Pb12 N4 O40 Tb1"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 4863db91-74b5-477c-b4eb-a0388c9a2c7f | mp-1197716 | Insert a Ds atom in the line between atoms at indices 26 and 63, and the inserted atom must be 6.96 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Ba8Cu8Si16O48
_chemical_formula_sum "Ba8 Cu8 Si16 O48"
_cell_length_a 13.44587733
_cell_length_b 13.44587733
_cell_length_c 13.445877329999998
_cell_angle_alpha 135.94699827000002
_cell_angle_beta 135.94699827000002
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ba8Cu8Si16O48Ds
_chemical_formula_sum "Ba8 Cu8 Si16 O48 Ds1"
_cell_length_a 13.44587733
_cell_length_b 13.44587733
_cell_length_c 13.445877329999998
_cell_angle_alpha 135.94699827000002
_cell_angle_beta 135.94699827000002
_cell_angle_g... |
InsertBetweenAtomsAction | 11e1e9d9-0acb-4138-8411-fc487ef4ab57 | mp-753628 | Insert a Po atom in the line between atoms at indices 13 and 3, and the inserted atom must be 3.48 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li2V2F12Po
_chemical_formula_sum "Li2 V2 F12 Po1"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 35459e67-0af7-47fd-b714-23ff7cc8b326 | mp-1239137 | Insert a Al atom in the line between atoms at indices 48 and 32, and the inserted atom must be 2.47 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural Zr8Cr8Cu8S32
_chemical_formula_sum "Zr8 Cr8 Cu8 S32"
_cell_length_a 11.760433
_cell_length_b 7.059517
_cell_length_c 12.452601
_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 Zr8Cr8Cu8S32Al
_chemical_formula_sum "Zr8 Cr8 Cu8 S32 Al1"
_cell_length_a 11.760433
_cell_length_b 7.059517
_cell_length_c 12.452601
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | c1a9e277-a8d5-475a-be1a-45d655849958 | mp-1211877 | Insert a Ga atom in the line between atoms at indices 21 and 3, and the inserted atom must be 1.57 angstrom from atom at 21 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 K4P2H6Se2O16Ga
_chemical_formula_sum "K4 P2 H6 Se2 O16 Ga1"
_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 | b10bcf78-a513-49c6-abd4-224ea6386bdf | mp-555576 | Insert a Db atom in the line between atoms at indices 10 and 3, and the inserted atom must be 1.01 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural K2Na2S4O14
_chemical_formula_sum "K2 Na2 S4 O14"
_cell_length_a 5.85706293
_cell_length_b 7.10730219
_cell_length_c 7.37603274
_cell_angle_alpha 100.9043664
_cell_angle_beta 90.40115408
_cell_angle_gamma 95.20157045
_space_group_na... | data_image0
_chemical_formula_structural K2Na2S4O14Db
_chemical_formula_sum "K2 Na2 S4 O14 Db1"
_cell_length_a 5.85706293
_cell_length_b 7.10730219
_cell_length_c 7.37603274
_cell_angle_alpha 100.9043664
_cell_angle_beta 90.40115408
_cell_angle_gamma 95.20157045
_space_gr... |
InsertBetweenAtomsAction | 379685ef-4b82-4460-86b1-2cad2aae212e | mp-1113179 | Insert a Eu atom in the line between atoms at indices 5 and 1, and the inserted atom must be 1.57 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2HgBiF6Eu
_chemical_formula_sum "Cs2 Hg1 Bi1 F6 Eu1"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | fac32372-f4c2-411f-96c1-210fb5f1d43a | mp-19140 | Insert a Sr atom in the line between atoms at indices 18 and 1, and the inserted atom must be 4.98 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K12Mn4O16Sr
_chemical_formula_sum "K12 Mn4 O16 Sr1"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927... |
InsertBetweenAtomsAction | 9c850832-0260-4507-8c84-bfef467db33c | mp-9619 | Insert a Sc atom in the line between atoms at indices 10 and 12, and the inserted atom must be 2.82 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12Sc
_chemical_formula_sum "Th1 Fe4 P12 Sc1"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_gro... |
InsertBetweenAtomsAction | 557496f6-5c5a-471c-a37f-b40d725f9e3e | mp-1099764 | Insert a Fr atom in the line between atoms at indices 12 and 16, and the inserted atom must be 2.91 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural K4Ta4O10
_chemical_formula_sum "K4 Ta4 O10"
_cell_length_a 9.00318401
_cell_length_b 9.00318401
_cell_length_c 9.00318401
_cell_angle_alpha 142.81336667
_cell_angle_beta 142.66744489
_cell_angle_gamma 53.71515557
_space_group_name_... | data_image0
_chemical_formula_structural K4Ta4O10Fr
_chemical_formula_sum "K4 Ta4 O10 Fr1"
_cell_length_a 9.00318401
_cell_length_b 9.00318401
_cell_length_c 9.00318401
_cell_angle_alpha 142.81336667
_cell_angle_beta 142.66744489
_cell_angle_gamma 53.71515557
_space_group... |
InsertBetweenAtomsAction | 3c5dda78-51c8-4968-9c24-cce8c0a9a38f | mp-699431 | Insert a Mo atom in the line between atoms at indices 28 and 21, and the inserted atom must be 6.47 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16Mo
_chemical_formula_sum "Al2 H8 Se4 O16 Mo1"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
InsertBetweenAtomsAction | 67e79324-312f-4c1d-b813-7fd5758ccdf0 | mp-1357359 | Insert a Rh atom in the line between atoms at indices 0 and 22, and the inserted atom must be 4.25 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mg4Sb4As4O20
_chemical_formula_sum "Mg4 Sb4 As4 O20"
_cell_length_a 7.267013
_cell_length_b 7.291066
_cell_length_c 8.831991
_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 Mg4Sb4As4O20Rh
_chemical_formula_sum "Mg4 Sb4 As4 O20 Rh1"
_cell_length_a 7.267013
_cell_length_b 7.291066
_cell_length_c 8.831991
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | c2bc4999-58b8-43a3-9427-2259f7822e9c | mp-1218770 | Insert a Tm atom in the line between atoms at indices 8 and 15, and the inserted atom must be 2.50 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sr2NdSmMn4O12
_chemical_formula_sum "Sr2 Nd1 Sm1 Mn4 O12"
_cell_length_a 5.51174067
_cell_length_b 5.511740669999999
_cell_length_c 7.7975271500000005
_cell_angle_alpha 89.5560347
_cell_angle_beta 89.5560347
_cell_angle_gamma 89.502... | data_image0
_chemical_formula_structural Sr2NdSmMn4O12Tm
_chemical_formula_sum "Sr2 Nd1 Sm1 Mn4 O12 Tm1"
_cell_length_a 5.51174067
_cell_length_b 5.511740669999999
_cell_length_c 7.7975271500000005
_cell_angle_alpha 89.5560347
_cell_angle_beta 89.5560347
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 3f7dd634-8388-412b-affc-a4ed12a56d67 | mp-2219204 | Insert a Rh atom in the line between atoms at indices 0 and 9, and the inserted atom must be 5.27 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Tb2MgV2O8
_chemical_formula_sum "Tb2 Mg1 V2 O8"
_cell_length_a 6.1041527
_cell_length_b 6.1041533900000005
_cell_length_c 6.24702455
_cell_angle_alpha 105.99154206
_cell_angle_beta 105.9915478
_cell_angle_gamma 115.70602638
_space_... | data_image0
_chemical_formula_structural Tb2MgV2O8Rh
_chemical_formula_sum "Tb2 Mg1 V2 O8 Rh1"
_cell_length_a 6.1041527
_cell_length_b 6.1041533900000005
_cell_length_c 6.24702455
_cell_angle_alpha 105.99154206
_cell_angle_beta 105.9915478
_cell_angle_gamma 115.70602638
_... |
InsertBetweenAtomsAction | debdcad7-624d-4845-9682-414d3dae40d2 | mp-1201827 | Insert a F atom in the line between atoms at indices 9 and 19, and the inserted atom must be 3.25 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cs13Nb2In6As10
_chemical_formula_sum "Cs13 Nb2 In6 As10"
_cell_length_a 9.922238
_cell_length_b 9.97488215
_cell_length_c 14.2638583
_cell_angle_alpha 83.22926099
_cell_angle_beta 80.51304732
_cell_angle_gamma 64.6167565
_space_gro... | data_image0
_chemical_formula_structural Cs13Nb2In6As10F
_chemical_formula_sum "Cs13 Nb2 In6 As10 F1"
_cell_length_a 9.922238
_cell_length_b 9.97488215
_cell_length_c 14.2638583
_cell_angle_alpha 83.22926099
_cell_angle_beta 80.51304732
_cell_angle_gamma 64.6167565
_space... |
InsertBetweenAtomsAction | 1ecf7b17-bb4c-4fa1-98dd-d5ea213f668c | mp-1200944 | Insert a Ti atom in the line between atoms at indices 27 and 30, and the inserted atom must be 1.69 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Pr20Si12N36
_chemical_formula_sum "Pr20 Si12 N36"
_cell_length_a 7.78838711
_cell_length_b 7.78838711
_cell_length_c 16.011699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.78336765
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr20Si12N36Ti
_chemical_formula_sum "Pr20 Si12 N36 Ti1"
_cell_length_a 7.78838711
_cell_length_b 7.78838711
_cell_length_c 16.011699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.78336765
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | ff03105d-2d9e-4c62-88a8-00239c15ef8d | mp-754454 | Insert a Hf atom in the line between atoms at indices 13 and 7, and the inserted atom must be 1.62 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... | data_image0
_chemical_formula_structural Cd2Ag4O8Hf
_chemical_formula_sum "Cd2 Ag4 O8 Hf1"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group... |
InsertBetweenAtomsAction | d6950058-90ee-49e0-a80e-bf3e75a3cab1 | mp-1205853 | Insert a Po atom in the line between atoms at indices 8 and 3, and the inserted atom must be 2.22 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd4In2Au4Po
_chemical_formula_sum "Nd4 In2 Au4 Po1"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 56063905-9869-4897-b124-d5eae047d183 | mp-1197620 | Insert a Se atom in the line between atoms at indices 36 and 29, and the inserted atom must be 12.55 angstrom from atom at 36 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 K12As4P12Se37
_chemical_formula_sum "K12 As4 P12 Se37"
_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... |
InsertBetweenAtomsAction | c95c8804-5581-41a7-8148-a7a1abf939a3 | mp-862605 | Insert a Sn atom in the line between atoms at indices 15 and 20, and the inserted atom must be 5.85 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Rb4Zr6CCl18
_chemical_formula_sum "Rb4 Zr6 C1 Cl18"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_space_g... | data_image0
_chemical_formula_structural Rb4Zr6CCl18Sn
_chemical_formula_sum "Rb4 Zr6 C1 Cl18 Sn1"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_s... |
InsertBetweenAtomsAction | 27e56af4-40ab-4425-9306-344e194c812e | mp-1376805 | Insert a Ne atom in the line between atoms at indices 10 and 15, and the inserted atom must be 2.22 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe5OF11Ne
_chemical_formula_sum "Li3 Fe5 O1 F11 Ne1"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_g... |
InsertBetweenAtomsAction | 21b38c06-c838-4a41-ba60-ef5da43e0082 | mp-600520 | Insert a W atom in the line between atoms at indices 9 and 23, and the inserted atom must be 3.03 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16W
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16 W1"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 2df8a4d5-aa38-4808-80d7-6e10013cfab1 | mp-1079383 | Insert a Sm atom in the line between atoms at indices 3 and 7, and the inserted atom must be 1.28 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce4In2Cu4Sm
_chemical_formula_sum "Ce4 In2 Cu4 Sm1"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 | c48e1915-1f0e-49ad-949f-c675c0e8d1d9 | mp-1245832 | Insert a Sg atom in the line between atoms at indices 1 and 7, and the inserted atom must be 0.51 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ca4Cu4N4
_chemical_formula_sum "Ca4 Cu4 N4"
_cell_length_a 8.91002794
_cell_length_b 3.83720965
_cell_length_c 6.75468884
_cell_angle_alpha 89.99999708
_cell_angle_beta 110.05152432999999
_cell_angle_gamma 77.56504692
_space_group_... | data_image0
_chemical_formula_structural Ca4Cu4N4Sg
_chemical_formula_sum "Ca4 Cu4 N4 Sg1"
_cell_length_a 8.91002794
_cell_length_b 3.83720965
_cell_length_c 6.75468884
_cell_angle_alpha 89.99999708
_cell_angle_beta 110.05152432999999
_cell_angle_gamma 77.56504692
_space_... |
InsertBetweenAtomsAction | df201a29-572d-4c3a-9cea-0c7895627011 | mp-1210244 | Insert a Cf atom in the line between atoms at indices 28 and 42, and the inserted atom must be 5.19 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Pr46Mg8Pt14
_chemical_formula_sum "Pr46 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... | data_image0
_chemical_formula_structural Pr46Mg8Pt14Cf
_chemical_formula_sum "Pr46 Mg8 Pt14 Cf1"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_grou... |
InsertBetweenAtomsAction | 39f2ea7e-046f-4310-a2cc-3ea67fa1a9ee | mp-1215754 | Insert a Cf atom in the line between atoms at indices 8 and 5, and the inserted atom must be 1.40 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Zr4Ti6Si6
_chemical_formula_sum "Zr4 Ti6 Si6"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Zr4Ti6Si6Cf
_chemical_formula_sum "Zr4 Ti6 Si6 Cf1"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 98a3c18f-8ef9-472f-9ed3-db858d4f1e17 | mp-1195048 | Insert a F atom in the line between atoms at indices 12 and 10, and the inserted atom must be 2.62 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30F
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30 F1"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.31... |
InsertBetweenAtomsAction | 87f1425d-1853-47f7-865d-c46377f13b3e | mp-2224471 | Insert a F atom in the line between atoms at indices 24 and 44, and the inserted atom must be 3.01 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural MgFe4P12O36
_chemical_formula_sum "Mg1 Fe4 P12 O36"
_cell_length_a 8.59775702
_cell_length_b 8.67828602
_cell_length_c 8.84301149
_cell_angle_alpha 89.70753084
_cell_angle_beta 90.84395481
_cell_angle_gamma 90.52704608
_space_group... | data_image0
_chemical_formula_structural MgFe4P12O36F
_chemical_formula_sum "Mg1 Fe4 P12 O36 F1"
_cell_length_a 8.59775702
_cell_length_b 8.67828602
_cell_length_c 8.84301149
_cell_angle_alpha 89.70753084
_cell_angle_beta 90.84395481
_cell_angle_gamma 90.52704608
_space_g... |
InsertBetweenAtomsAction | 34b53dba-0de3-484c-9f56-bdd302e44b29 | mp-1226598 | Insert a Ce atom in the line between atoms at indices 9 and 6, and the inserted atom must be 3.24 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... | data_image0
_chemical_formula_structural CeTh3O8Ce
_chemical_formula_sum "Ce2 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_sp... |
InsertBetweenAtomsAction | 0367abc2-1f47-4a6c-b4da-28dab5a22de2 | mp-1180291 | Insert a Np atom in the line between atoms at indices 14 and 11, and the inserted atom must be 5.09 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... | data_image0
_chemical_formula_structural MnFe2P2O18Np
_chemical_formula_sum "Mn1 Fe2 P2 O18 Np1"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_g... |
InsertBetweenAtomsAction | a0717d36-4963-445a-9a84-d595cba27790 | mp-1096906 | Insert a K atom in the line between atoms at indices 30 and 41, and the inserted atom must be 3.31 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... | data_image0
_chemical_formula_structural Cr16N32K
_chemical_formula_sum "Cr16 N32 K1"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_gro... |
InsertBetweenAtomsAction | a0214ba0-b141-4a48-b93f-f9572aea42c5 | mp-754319 | Insert a Gd atom in the line between atoms at indices 4 and 12, and the inserted atom must be 3.86 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3NbNi4O8Gd
_chemical_formula_sum "Li3 Nb1 Ni4 O8 Gd1"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838... |
InsertBetweenAtomsAction | ef51fed3-34e8-4ed0-9b39-ee364aa31d6c | mp-1195192 | Insert a Cr atom in the line between atoms at indices 38 and 3, and the inserted atom must be 3.62 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Na3Tb3H6S6O27
_chemical_formula_sum "Na3 Tb3 H6 S6 O27"
_cell_length_a 6.980523
_cell_length_b 6.98052253
_cell_length_c 12.797699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999747000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3Tb3H6S6O27Cr
_chemical_formula_sum "Na3 Tb3 H6 S6 O27 Cr1"
_cell_length_a 6.980523
_cell_length_b 6.98052253
_cell_length_c 12.797699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999747000001
_space_group... |
InsertBetweenAtomsAction | f9effbec-1bf0-4623-a4b6-764b740a0e05 | mp-1247343 | Insert a Au atom in the line between atoms at indices 1 and 24, and the inserted atom must be 0.56 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12Au
_chemical_formula_sum "Ca10 Ti4 N12 Au1"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_s... |
InsertBetweenAtomsAction | 527be336-c651-4f4c-ab6b-c8e5a4f285e5 | mp-645158 | Insert a Cm atom in the line between atoms at indices 10 and 8, and the inserted atom must be 1.57 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural La4Mn4O12
_chemical_formula_sum "La4 Mn4 O12"
_cell_length_a 10.297857
_cell_length_b 5.674393
_cell_length_c 6.043189749999999
_cell_angle_alpha 70.70900253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4Mn4O12Cm
_chemical_formula_sum "La4 Mn4 O12 Cm1"
_cell_length_a 10.297857
_cell_length_b 5.674393
_cell_length_c 6.043189749999999
_cell_angle_alpha 70.70900253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | fb8b894e-8d08-4ab0-b973-1f2987d85d0e | mp-1226695 | Insert a Zr atom in the line between atoms at indices 36 and 32, and the inserted atom must be 1.61 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Co2H30Br4N12O4
_chemical_formula_sum "Co2 H30 Br4 N12 O4"
_cell_length_a 6.9257375
_cell_length_b 6.84391893
_cell_length_c 11.04345546
_cell_angle_alpha 86.0682391
_cell_angle_beta 85.75641914
_cell_angle_gamma 80.75787772
_space_... | data_image0
_chemical_formula_structural Co2H30Br4N12O4Zr
_chemical_formula_sum "Co2 H30 Br4 N12 O4 Zr1"
_cell_length_a 6.9257375
_cell_length_b 6.84391893
_cell_length_c 11.04345546
_cell_angle_alpha 86.0682391
_cell_angle_beta 85.75641914
_cell_angle_gamma 80.75787772
_... |
InsertBetweenAtomsAction | 537336a0-b310-469f-adbe-37cacdaa61fa | mp-1028731 | Insert a Yb atom in the line between atoms at indices 1 and 10, and the inserted atom must be 0.99 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Te2W4Se6
_chemical_formula_sum "Te2 W4 Se6"
_cell_length_a 3.38041365
_cell_length_b 3.3804136500000004
_cell_length_c 38.560445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999322999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Te2W4Se6Yb
_chemical_formula_sum "Te2 W4 Se6 Yb1"
_cell_length_a 3.38041365
_cell_length_b 3.3804136500000004
_cell_length_c 38.560445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999322999999
_space_group_n... |
InsertBetweenAtomsAction | 59ce3398-3d6a-42aa-876f-87ef20d97d66 | mp-1239127 | Insert a As atom in the line between atoms at indices 10 and 3, and the inserted atom must be 3.74 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16As
_chemical_formula_sum "Hf4 Cr4 Cu4 S16 As1"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 9cb88d47-4ac7-4044-849a-4d9e53d10e97 | mp-997587 | Insert a Li atom in the line between atoms at indices 39 and 5, and the inserted atom must be 2.05 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural La7ScAl8O24
_chemical_formula_sum "La7 Sc1 Al8 O24"
_cell_length_a 7.570756
_cell_length_b 7.570756
_cell_length_c 7.570756
_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 La7ScAl8O24Li
_chemical_formula_sum "La7 Sc1 Al8 O24 Li1"
_cell_length_a 7.570756
_cell_length_b 7.570756
_cell_length_c 7.570756
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 34458c60-1a7e-406d-b76a-334c8ceae8ea | mp-23013 | Insert a Sn atom in the line between atoms at indices 16 and 10, and the inserted atom must be 1.79 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 U4Cl8O8Sn
_chemical_formula_sum "U4 Cl8 O8 Sn1"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 | 926c387b-79b8-4645-bb9f-57152f788997 | mp-1103810 | Insert a Ac atom in the line between atoms at indices 7 and 6, and the inserted atom must be 6.66 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Y6Al2C6
_chemical_formula_sum "Y6 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_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 Y6Al2C6Ac
_chemical_formula_sum "Y6 Al2 C6 Ac1"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_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 | 30ff3d7a-d838-4232-88e3-e03f0a1bcdfc | mp-1210328 | Insert a Ni atom in the line between atoms at indices 8 and 3, and the inserted atom must be 6.21 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ni2P4O20
_chemical_formula_sum "Ni2 P4 O20"
_cell_length_a 9.553455
_cell_length_b 5.181696
_cell_length_c 8.57377695
_cell_angle_alpha 56.20746677999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ni2P4O20Ni
_chemical_formula_sum "Ni3 P4 O20"
_cell_length_a 9.553455
_cell_length_b 5.181696
_cell_length_c 8.57377695
_cell_angle_alpha 56.20746677999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 2256b0d5-0472-401d-bab8-0490b1d7ffe7 | mp-759150 | Insert a Fm atom in the line between atoms at indices 11 and 18, and the inserted atom must be 0.71 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... | data_image0
_chemical_formula_structural Li4V4O4F8Fm
_chemical_formula_sum "Li4 V4 O4 F8 Fm1"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_spac... |
InsertBetweenAtomsAction | 1ffdbec4-b764-49a4-b9e5-9cfb6cc1b5db | mp-1017159 | Insert a Lu atom in the line between atoms at indices 1 and 7, and the inserted atom must be 8.81 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Rb2Mg12C2
_chemical_formula_sum "Rb2 Mg12 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Rb2Mg12C2Lu
_chemical_formula_sum "Rb2 Mg12 C2 Lu1"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_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 | 434d24d1-6010-42b6-85d2-fdeb586e41d9 | mp-2240405 | Insert a Sc atom in the line between atoms at indices 2 and 8, and the inserted atom must be 1.09 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... | data_image0
_chemical_formula_structural MgMn2Ag2O6Sc
_chemical_formula_sum "Mg1 Mn2 Ag2 O6 Sc1"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
... |
InsertBetweenAtomsAction | 383bd482-ea6d-4500-a3f4-4f9dd2ab52ef | mp-1289597 | Insert a Sc atom in the line between atoms at indices 13 and 8, and the inserted atom must be 3.41 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Mn4B4O12
_chemical_formula_sum "Mn4 B4 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn4B4O12Sc
_chemical_formula_sum "Mn4 B4 O12 Sc1"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_nam... |
InsertBetweenAtomsAction | d5bd3c7e-5a78-4eed-a403-639353f48742 | mp-1208931 | Insert a Ru atom in the line between atoms at indices 14 and 13, and the inserted atom must be 6.33 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Sr2ErCu2Bi2O8
_chemical_formula_sum "Sr2 Er1 Cu2 Bi2 O8"
_cell_length_a 15.46020447
_cell_length_b 15.460204469999999
_cell_length_c 15.46020447
_cell_angle_alpha 165.95452037
_cell_angle_beta 165.95452037
_cell_angle_gamma 19.91368... | data_image0
_chemical_formula_structural Sr2ErCu2Bi2O8Ru
_chemical_formula_sum "Sr2 Er1 Cu2 Bi2 O8 Ru1"
_cell_length_a 15.46020447
_cell_length_b 15.460204469999999
_cell_length_c 15.46020447
_cell_angle_alpha 165.95452037
_cell_angle_beta 165.95452037
_cell_angle_gamma 19... |
InsertBetweenAtomsAction | 8a70316c-6373-4822-9438-445e1332b996 | mp-1520897 | Insert a V atom in the line between atoms at indices 3 and 7, and the inserted atom must be 4.18 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Sr2CrBiO6V
_chemical_formula_sum "Sr2 Cr1 Bi1 O6 V1"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
InsertBetweenAtomsAction | 362dfea2-e67e-4500-850a-028ee7eb66c4 | mp-1106214 | Insert a C atom in the line between atoms at indices 17 and 13, and the inserted atom must be 4.62 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Lu6Ge6Pd6
_chemical_formula_sum "Lu6 Ge6 Pd6"
_cell_length_a 11.2242062
_cell_length_b 11.2242062
_cell_length_c 11.2242062
_cell_angle_alpha 157.54988981
_cell_angle_beta 140.37210418999996
_cell_angle_gamma 46.01936493
_space_gro... | data_image0
_chemical_formula_structural Lu6Ge6Pd6C
_chemical_formula_sum "Lu6 Ge6 Pd6 C1"
_cell_length_a 11.2242062
_cell_length_b 11.2242062
_cell_length_c 11.2242062
_cell_angle_alpha 157.54988981
_cell_angle_beta 140.37210418999996
_cell_angle_gamma 46.01936493
_space... |
InsertBetweenAtomsAction | 6834dfe4-1a2b-4268-85fd-013ffaa88e11 | mp-1076627 | Insert a Ar atom in the line between atoms at indices 25 and 33, and the inserted atom must be 6.76 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20Ar
_chemical_formula_sum "Sr8 Ti4 Mn4 O20 Ar1"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_... |
InsertBetweenAtomsAction | f72ec207-5d9c-4823-854e-a57da614b8d3 | mp-1027627 | Insert a Ac atom in the line between atoms at indices 4 and 10, and the inserted atom must be 2.26 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te2Mo4Se2S4Ac
_chemical_formula_sum "Te2 Mo4 Se2 S4 Ac1"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 67fafc5f-7287-47bf-afb6-4ac12159d0a0 | mp-1236250 | Insert a F atom in the line between atoms at indices 2 and 12, and the inserted atom must be 1.75 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural LiCo5SbO8
_chemical_formula_sum "Li1 Co5 Sb1 O8"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... | data_image0
_chemical_formula_structural LiCo5SbO8F
_chemical_formula_sum "Li1 Co5 Sb1 O8 F1"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534... |
InsertBetweenAtomsAction | bd439ad5-e310-4cf0-af49-990bece458cc | mp-734319 | Insert a Sc atom in the line between atoms at indices 20 and 29, and the inserted atom must be 2.43 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Rb4Fe4H16Cl12O8
_chemical_formula_sum "Rb4 Fe4 H16 Cl12 O8"
_cell_length_a 7.040363
_cell_length_b 8.988614
_cell_length_c 11.436915
_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 Rb4Fe4H16Cl12O8Sc
_chemical_formula_sum "Rb4 Fe4 H16 Cl12 O8 Sc1"
_cell_length_a 7.040363
_cell_length_b 8.988614
_cell_length_c 11.436915
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 3b880b7d-c1d2-426c-a3cb-31ea4f7c02a0 | mp-780891 | Insert a Fm atom in the line between atoms at indices 12 and 14, and the inserted atom must be 0.59 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... | data_image0
_chemical_formula_structural Fe8O14F2Fm
_chemical_formula_sum "Fe8 O14 F2 Fm1"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_... |
InsertBetweenAtomsAction | a14bc1b0-d348-4925-b5fd-1cfbbbc1f485 | mp-1201935 | Insert a Rf atom in the line between atoms at indices 52 and 55, and the inserted atom must be 1.01 angstrom from atom at 52 in the cif file. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H16O28Rf
_chemical_formula_sum "K8 P8 H16 O28 Rf1"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | d4980bd1-0c70-4774-aa26-ce0c75ac14e2 | mp-1246907 | Insert a Sm atom in the line between atoms at indices 1 and 14, and the inserted atom must be 1.18 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... | data_image0
_chemical_formula_structural Sr6Co4N8Sm
_chemical_formula_sum "Sr6 Co4 N8 Sm1"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_s... |
InsertBetweenAtomsAction | c75696fc-2404-40b3-99f5-1aa09faca7e2 | mp-1180875 | Insert a Ds atom in the line between atoms at indices 23 and 43, and the inserted atom must be 3.00 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Mn2N12O32
_chemical_formula_sum "Mn2 N12 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2N12O32Ds
_chemical_formula_sum "Mn2 N12 O32 Ds1"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 14b147b7-37f4-4921-be2b-8eb015a78bba | mp-1247342 | Insert a Ge atom in the line between atoms at indices 20 and 18, and the inserted atom must be 3.12 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li24V8N16
_chemical_formula_sum "Li24 V8 N16"
_cell_length_a 8.34245324
_cell_length_b 9.63303509
_cell_length_c 9.63303547
_cell_angle_alpha 90.00000096
_cell_angle_beta 125.26438879
_cell_angle_gamma 54.73560962
_space_group_name... | data_image0
_chemical_formula_structural Li24V8N16Ge
_chemical_formula_sum "Li24 V8 N16 Ge1"
_cell_length_a 8.34245324
_cell_length_b 9.63303509
_cell_length_c 9.63303547
_cell_angle_alpha 90.00000096
_cell_angle_beta 125.26438879
_cell_angle_gamma 54.73560962
_space_grou... |
InsertBetweenAtomsAction | fdec1ee7-793d-496f-8a50-7efb40f1e22b | mp-705551 | Insert a He atom in the line between atoms at indices 0 and 13, and the inserted atom must be 3.04 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... | data_image0
_chemical_formula_structural Fe15O16He
_chemical_formula_sum "Fe15 O16 He1"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_... |
InsertBetweenAtomsAction | 9941b727-bae7-4471-8896-571bdb015b38 | mp-580327 | Insert a Hf atom in the line between atoms at indices 19 and 10, and the inserted atom must be 0.80 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Gd6Al4Ni12
_chemical_formula_sum "Gd6 Al4 Ni12"
_cell_length_a 7.7155987
_cell_length_b 7.71560592
_cell_length_c 7.71561356
_cell_angle_alpha 109.44377817
_cell_angle_beta 109.4436389
_cell_angle_gamma 109.52528551000002
_space_gr... | data_image0
_chemical_formula_structural Gd6Al4Ni12Hf
_chemical_formula_sum "Gd6 Al4 Ni12 Hf1"
_cell_length_a 7.7155987
_cell_length_b 7.71560592
_cell_length_c 7.71561356
_cell_angle_alpha 109.44377817
_cell_angle_beta 109.4436389
_cell_angle_gamma 109.52528551000002
_sp... |
InsertBetweenAtomsAction | 42245377-2ac0-4796-a3d0-a586a2589bc8 | mp-570469 | Insert a Y atom in the line between atoms at indices 5 and 2, and the inserted atom must be 4.03 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Pr10Tl6
_chemical_formula_sum "Pr10 Tl6"
_cell_length_a 6.36229245
_cell_length_b 9.514886500000001
_cell_length_c 9.51492551
_cell_angle_alpha 83.59895496
_cell_angle_beta 70.46806593
_cell_angle_gamma 70.46798067
_space_group_nam... | data_image0
_chemical_formula_structural Pr10Tl6Y
_chemical_formula_sum "Pr10 Tl6 Y1"
_cell_length_a 6.36229245
_cell_length_b 9.514886500000001
_cell_length_c 9.51492551
_cell_angle_alpha 83.59895496
_cell_angle_beta 70.46806593
_cell_angle_gamma 70.46798067
_space_group... |
InsertBetweenAtomsAction | c628046a-7d7c-43f7-ac8b-a1df63a758e4 | mp-755245 | Insert a As atom in the line between atoms at indices 1 and 11, and the inserted atom must be 1.64 angstrom from atom at 1 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 Li2Cu2P2O8As
_chemical_formula_sum "Li2 Cu2 P2 O8 As1"
_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 | 027645e2-9248-4d17-bc0e-1f64b4dfa26f | mp-1523147 | Insert a Hs atom in the line between atoms at indices 0 and 5, and the inserted atom must be 2.33 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural SrNdMgWO6
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural SrNdMgWO6Hs
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6 Hs1"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
InsertBetweenAtomsAction | ff52b5c4-a38c-4b12-9bec-42e5a2ed7b54 | mp-1037735 | Insert a Pa atom in the line between atoms at indices 63 and 27, and the inserted atom must be 4.78 angstrom from atom at 63 in the cif file. | data_image0
_chemical_formula_structural YMg30VO32
_chemical_formula_sum "Y1 Mg30 V1 O32"
_cell_length_a 8.622251
_cell_length_b 8.622251
_cell_length_c 8.636474
_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 YMg30VO32Pa
_chemical_formula_sum "Y1 Mg30 V1 O32 Pa1"
_cell_length_a 8.622251
_cell_length_b 8.622251
_cell_length_c 8.636474
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 4e446db5-3ce2-4de6-bc32-e7223bbb515a | mp-1217721 | Insert a Cl atom in the line between atoms at indices 1 and 11, and the inserted atom must be 1.03 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb6Al8Fe4Cl
_chemical_formula_sum "Tb6 Al8 Fe4 Cl1"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_spa... |
InsertBetweenAtomsAction | 2d41c2d8-18fb-4a57-bf79-4c5d693de911 | mp-1096957 | Insert a Kr atom in the line between atoms at indices 23 and 1, and the inserted atom must be 10.50 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 Cr24N48Kr
_chemical_formula_sum "Cr24 N48 Kr1"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
InsertBetweenAtomsAction | 18fbf864-7c2f-4cac-894b-8cf964ea7e4a | mp-558751 | Insert a Bh atom in the line between atoms at indices 32 and 7, and the inserted atom must be 5.82 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... | data_image0
_chemical_formula_structural Ca8Bi16O32Bh
_chemical_formula_sum "Ca8 Bi16 O32 Bh1"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
... |
InsertBetweenAtomsAction | 1e18863f-3ddb-42fe-b00d-a5c3ad75cd51 | mp-1185731 | Insert a Nh atom in the line between atoms at indices 3 and 18, and the inserted atom must be 0.88 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... | data_image0
_chemical_formula_structural Mg16ScAl12Nh
_chemical_formula_sum "Mg16 Sc1 Al12 Nh1"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206... |
InsertBetweenAtomsAction | 1a130e2c-9902-46dc-b23c-d456bb502434 | mp-6488 | Insert a Cm atom in the line between atoms at indices 40 and 13, and the inserted atom must be 4.97 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural K8Ti8As8O40
_chemical_formula_sum "K8 Ti8 As8 O40"
_cell_length_a 6.680827
_cell_length_b 10.926278
_cell_length_c 13.349936
_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 K8Ti8As8O40Cm
_chemical_formula_sum "K8 Ti8 As8 O40 Cm1"
_cell_length_a 6.680827
_cell_length_b 10.926278
_cell_length_c 13.349936
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | d28148fe-7f6d-477b-b9d2-2b72cff226ed | mp-1198520 | Insert a Al atom in the line between atoms at indices 33 and 32, and the inserted atom must be 2.31 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Cu8S2O24
_chemical_formula_sum "Cu8 S2 O24"
_cell_length_a 5.194531
_cell_length_b 5.88042304
_cell_length_c 14.122911279999999
_cell_angle_alpha 93.28651424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cu8S2O24Al
_chemical_formula_sum "Cu8 S2 O24 Al1"
_cell_length_a 5.194531
_cell_length_b 5.88042304
_cell_length_c 14.122911279999999
_cell_angle_alpha 93.28651424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 2e929457-e70a-42f6-8866-818e8a6f3846 | mp-757107 | Insert a Fe atom in the line between atoms at indices 18 and 5, and the inserted atom must be 0.96 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... | data_image0
_chemical_formula_structural Li4Fe4Si4O14Fe
_chemical_formula_sum "Li4 Fe5 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_sp... |
InsertBetweenAtomsAction | d8f54009-e494-4634-a475-476c2c67eee1 | mp-1106293 | Insert a Ge atom in the line between atoms at indices 6 and 7, and the inserted atom must be 1.08 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Eu4Zr4O12
_chemical_formula_sum "Eu4 Zr4 O12"
_cell_length_a 5.74546581
_cell_length_b 5.84474033
_cell_length_c 8.1659234
_cell_angle_alpha 90.0000538
_cell_angle_beta 90.0001131
_cell_angle_gamma 90.00000107
_space_group_name_H-M... | data_image0
_chemical_formula_structural Eu4Zr4O12Ge
_chemical_formula_sum "Eu4 Zr4 O12 Ge1"
_cell_length_a 5.74546581
_cell_length_b 5.84474033
_cell_length_c 8.1659234
_cell_angle_alpha 90.0000538
_cell_angle_beta 90.0001131
_cell_angle_gamma 90.00000107
_space_group_na... |
InsertBetweenAtomsAction | af6b4500-c6a5-435b-b9f6-69da21c58eac | mp-1667139 | Insert a Cn atom in the line between atoms at indices 4 and 7, and the inserted atom must be 2.22 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28Cn
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28 Cn1"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.9860... |
InsertBetweenAtomsAction | 7658f841-fdea-43b6-a7b5-c55c0a8cbd0d | mp-1197452 | Insert a F atom in the line between atoms at indices 15 and 10, and the inserted atom must be 3.70 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ni4P4C20O8F
_chemical_formula_sum "Ni4 P4 C20 O8 F1"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | d9d578b1-7b78-42e8-b695-b9f2c9604a88 | mp-1047 | Insert a Cm atom in the line between atoms at indices 1 and 7, and the inserted atom must be 2.69 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... | data_image0
_chemical_formula_structural Ca6N4Cm
_chemical_formula_sum "Ca6 N4 Cm1"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_... |
InsertBetweenAtomsAction | 6f7a5071-d947-40e0-a6f3-502038c602ad | mp-695955 | Insert a Te atom in the line between atoms at indices 41 and 26, and the inserted atom must be 7.86 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural P6H22N8O18
_chemical_formula_sum "P6 H22 N8 O18"
_cell_length_a 8.034132
_cell_length_b 8.26015182
_cell_length_c 8.52604156
_cell_angle_alpha 78.17442647
_cell_angle_beta 75.33512221
_cell_angle_gamma 86.16244251999998
_space_grou... | data_image0
_chemical_formula_structural P6H22N8O18Te
_chemical_formula_sum "P6 H22 N8 O18 Te1"
_cell_length_a 8.034132
_cell_length_b 8.26015182
_cell_length_c 8.52604156
_cell_angle_alpha 78.17442647
_cell_angle_beta 75.33512221
_cell_angle_gamma 86.16244251999998
_spac... |
InsertBetweenAtomsAction | 350e1f40-6887-40b9-9a22-9e4487d9a5e6 | mp-676665 | Insert a Ru atom in the line between atoms at indices 6 and 8, and the inserted atom must be 4.29 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24Ru
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24 Ru1"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma ... |
InsertBetweenAtomsAction | db3811f7-82fa-4dcd-b6eb-ab24fcfff27b | mp-1193985 | Insert a P atom in the line between atoms at indices 16 and 14, and the inserted atom must be 1.96 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6P
_chemical_formula_sum "Ta2 Co21 B6 P1"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
InsertBetweenAtomsAction | 04c3ef69-6aec-45fe-b01d-83ac2b43facf | mp-1213900 | Insert a K atom in the line between atoms at indices 66 and 63, and the inserted atom must be 6.03 angstrom from atom at 66 in the cif file. | data_image0
_chemical_formula_structural Co8S12N8O48
_chemical_formula_sum "Co8 S12 N8 O48"
_cell_length_a 9.906579
_cell_length_b 9.906579
_cell_length_c 9.906579
_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 Co8S12N8O48K
_chemical_formula_sum "Co8 S12 N8 O48 K1"
_cell_length_a 9.906579
_cell_length_b 9.906579
_cell_length_c 9.906579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | dd7fa517-7ab6-4d7e-86ac-4fbb2b90bc9f | mp-2228948 | Insert a Tl atom in the line between atoms at indices 13 and 10, and the inserted atom must be 5.16 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10Tl
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10 Tl1"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102... |
InsertBetweenAtomsAction | 04704409-009b-4a0f-9320-a7e0bdf403ce | mp-1046973 | Insert a Er atom in the line between atoms at indices 4 and 7, and the inserted atom must be 2.34 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16Er
_chemical_formula_sum "Nb4 Zn4 Ni2 O16 Er1"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_spac... |
InsertBetweenAtomsAction | 05980881-6e8a-487e-a9a7-6ee0ac556871 | mp-1228150 | Insert a Cf atom in the line between atoms at indices 9 and 11, and the inserted atom must be 1.28 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ba3LaNb3O12
_chemical_formula_sum "Ba3 La1 Nb3 O12"
_cell_length_a 9.93219031
_cell_length_b 9.932190310000001
_cell_length_c 9.93218995
_cell_angle_alpha 34.142241270000014
_cell_angle_beta 34.142241270000014
_cell_angle_gamma 34.1... | data_image0
_chemical_formula_structural Ba3LaNb3O12Cf
_chemical_formula_sum "Ba3 La1 Nb3 O12 Cf1"
_cell_length_a 9.93219031
_cell_length_b 9.932190310000001
_cell_length_c 9.93218995
_cell_angle_alpha 34.142241270000014
_cell_angle_beta 34.142241270000014
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 77dd809d-3310-448d-ac0f-42112ee316fb | mp-2240197 | Insert a Sn atom in the line between atoms at indices 4 and 3, and the inserted atom must be 5.59 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural MgV2H2O5
_chemical_formula_sum "Mg1 V2 H2 O5"
_cell_length_a 3.08567311
_cell_length_b 5.18458825
_cell_length_c 6.51517495
_cell_angle_alpha 101.57425296
_cell_angle_beta 103.70241191
_cell_angle_gamma 89.99272988000001
_space_gro... | data_image0
_chemical_formula_structural MgV2H2O5Sn
_chemical_formula_sum "Mg1 V2 H2 O5 Sn1"
_cell_length_a 3.08567311
_cell_length_b 5.18458825
_cell_length_c 6.51517495
_cell_angle_alpha 101.57425296
_cell_angle_beta 103.70241191
_cell_angle_gamma 89.99272988000001
_spa... |
InsertBetweenAtomsAction | cf2b86a2-ad43-48fe-8022-f70b0627dd5d | mp-1100332 | Insert a Re atom in the line between atoms at indices 3 and 0, and the inserted atom must be 1.03 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ca4Sn2S8
_chemical_formula_sum "Ca4 Sn2 S8"
_cell_length_a 7.98651512
_cell_length_b 7.98651512
_cell_length_c 7.986515119999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Ca4Sn2S8Re
_chemical_formula_sum "Ca4 Sn2 S8 Re1"
_cell_length_a 7.98651512
_cell_length_b 7.98651512
_cell_length_c 7.986515119999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999... |
InsertBetweenAtomsAction | b83c60fb-10ea-448b-81ad-5918162d295e | mp-31430 | Insert a O atom in the line between atoms at indices 3 and 0, and the inserted atom must be 4.66 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Na16In8
_chemical_formula_sum "Na16 In8"
_cell_length_a 8.15097133
_cell_length_b 8.15097091
_cell_length_c 11.60454069
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.66587737
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na16In8O
_chemical_formula_sum "Na16 In8 O1"
_cell_length_a 8.15097133
_cell_length_b 8.15097091
_cell_length_c 11.60454069
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.66587737
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 2c61439c-d6fd-4916-9e73-dead49d042f9 | mp-2715422 | Insert a Ac atom in the line between atoms at indices 14 and 63, and the inserted atom must be 8.30 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48Ac
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48 Ac1"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567... |
InsertBetweenAtomsAction | 005a8862-8f30-48c1-8be9-07054ee03ada | mp-558850 | Insert a P atom in the line between atoms at indices 8 and 7, and the inserted atom must be 1.27 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Rb2Nd2W4O16
_chemical_formula_sum "Rb2 Nd2 W4 O16"
_cell_length_a 7.76133376
_cell_length_b 7.76133376
_cell_length_c 7.59294762
_cell_angle_alpha 62.74418263
_cell_angle_beta 62.74418263
_cell_angle_gamma 89.31264594
_space_group_... | data_image0
_chemical_formula_structural Rb2Nd2W4O16P
_chemical_formula_sum "Rb2 Nd2 W4 O16 P1"
_cell_length_a 7.76133376
_cell_length_b 7.76133376
_cell_length_c 7.59294762
_cell_angle_alpha 62.74418263
_cell_angle_beta 62.74418263
_cell_angle_gamma 89.31264594
_space_gr... |
InsertBetweenAtomsAction | 492f1ec6-922c-42ea-89fc-95f83635093c | mp-30276 | Insert a Po atom in the line between atoms at indices 35 and 5, and the inserted atom must be 2.69 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... | data_image0
_chemical_formula_structural Ce20Ga10Cl8Po
_chemical_formula_sum "Ce20 Ga10 Cl8 Po1"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467... |
InsertBetweenAtomsAction | 3c8cec09-1859-4f05-8729-455b5e4b8b83 | mp-1246300 | Insert a Tm atom in the line between atoms at indices 25 and 18, and the inserted atom must be 2.62 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Bi16Se12N8
_chemical_formula_sum "Bi16 Se12 N8"
_cell_length_a 7.18073703
_cell_length_b 11.15247521
_cell_length_c 11.08990782
_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 Bi16Se12N8Tm
_chemical_formula_sum "Bi16 Se12 N8 Tm1"
_cell_length_a 7.18073703
_cell_length_b 11.15247521
_cell_length_c 11.08990782
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 45fbb618-0a9e-4e55-846d-aa7334dbfa91 | mp-5214 | Insert a W atom in the line between atoms at indices 23 and 37, and the inserted atom must be 4.19 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... | data_image0
_chemical_formula_structural Ti4Te12O32W
_chemical_formula_sum "Ti4 Te12 O32 W1"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_gro... |
InsertBetweenAtomsAction | 478aadfe-eabe-46f6-963e-85121504cb60 | mp-18973 | Insert a Fm atom in the line between atoms at indices 8 and 20, and the inserted atom must be 1.36 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20Fm
_chemical_formula_sum "Co4 Se8 O20 Fm1"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073... |
InsertBetweenAtomsAction | a6f72175-ec6e-4f5b-851e-290284773bdd | mp-1079383 | Insert a O atom in the line between atoms at indices 0 and 4, and the inserted atom must be 1.56 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce4In2Cu4O
_chemical_formula_sum "Ce4 In2 Cu4 O1"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 | b89add1d-89df-4b3c-b47b-abdbac6ede4c | mp-772024 | Insert a K atom in the line between atoms at indices 14 and 50, and the inserted atom must be 2.95 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba12La4Br36K
_chemical_formula_sum "Ba12 La4 Br36 K1"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ef480191-417c-4a69-8208-4efcf1eca2a2 | mp-15514 | Insert a Fl atom in the line between atoms at indices 12 and 18, and the inserted atom must be 2.15 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Na8Se16
_chemical_formula_sum "Na8 Se16"
_cell_length_a 9.43549015
_cell_length_b 9.43548998
_cell_length_c 9.43548941
_cell_angle_alpha 101.08664555
_cell_angle_beta 113.81929890999999
_cell_angle_gamma 113.81929052
_space_group_n... | data_image0
_chemical_formula_structural Na8Se16Fl
_chemical_formula_sum "Na8 Se16 Fl1"
_cell_length_a 9.43549015
_cell_length_b 9.43548998
_cell_length_c 9.43548941
_cell_angle_alpha 101.08664555
_cell_angle_beta 113.81929890999999
_cell_angle_gamma 113.81929052
_space_g... |
InsertBetweenAtomsAction | 67c2a8bc-a1ca-4b61-ada8-54e16df31d7a | mp-761166 | Insert a Cr atom in the line between atoms at indices 1 and 6, and the inserted atom must be 0.84 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe2F6Cr
_chemical_formula_sum "Li2 Fe2 F6 Cr1"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_g... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.