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 | 60db938f-0d72-4acb-ac65-5534bb3f83eb | mp-732227 | Insert a Yb atom in the line between atoms at indices 15 and 8, and the inserted atom must be 0.50 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb4As4N4O16F8Yb
_chemical_formula_sum "Sb4 As4 N4 O16 F8 Yb1"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 3f525dba-5e42-43bb-9e48-c71b9c4bbc2c | mp-1204213 | Insert a Tm atom in the line between atoms at indices 12 and 69, and the inserted atom must be 5.26 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S14O60Tm
_chemical_formula_sum "Tb4 Nb4 S14 O60 Tm1"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 153c502f-4084-4173-a055-f6b584e9d414 | mp-1047596 | Insert a Pu atom in the line between atoms at indices 7 and 6, and the inserted atom must be 1.64 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 Zn4Bi8O16Pu
_chemical_formula_sum "Zn4 Bi8 O16 Pu1"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 | 7288c8f0-d830-487f-9a37-83312df08cef | mp-850196 | Insert a Eu atom in the line between atoms at indices 12 and 4, and the inserted atom must be 0.93 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li3V4O11F
_chemical_formula_sum "Li3 V4 O11 F1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_group_name... | data_image0
_chemical_formula_structural Li3V4O11FEu
_chemical_formula_sum "Li3 V4 O11 F1 Eu1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_grou... |
InsertBetweenAtomsAction | ba0ab6b5-0110-4508-9885-a889bb3530eb | mp-2217302 | Insert a Db atom in the line between atoms at indices 0 and 4, and the inserted atom must be 1.30 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ba2MgNi2O6
_chemical_formula_sum "Ba2 Mg1 Ni2 O6"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba2MgNi2O6Db
_chemical_formula_sum "Ba2 Mg1 Ni2 O6 Db1"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 4937d088-93a6-486e-a9a3-7dfe465e12d6 | mp-1111109 | Insert a C atom in the line between atoms at indices 7 and 0, and the inserted atom must be 0.71 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K2LiNbF6
_chemical_formula_sum "K2 Li1 Nb1 F6"
_cell_length_a 5.9279406
_cell_length_b 5.9279406
_cell_length_c 5.9279406
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural K2LiNbF6C
_chemical_formula_sum "K2 Li1 Nb1 F6 C1"
_cell_length_a 5.9279406
_cell_length_b 5.9279406
_cell_length_c 5.9279406
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
InsertBetweenAtomsAction | 67a4a6b7-028d-4008-b48f-bf811242a348 | mp-1019897 | Insert a Ac atom in the line between atoms at indices 4 and 7, and the inserted atom must be 4.63 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural La4N4O16
_chemical_formula_sum "La4 N4 O16"
_cell_length_a 5.63928
_cell_length_b 7.303537
_cell_length_c 9.578525
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural La4N4O16Ac
_chemical_formula_sum "La4 N4 O16 Ac1"
_cell_length_a 5.63928
_cell_length_b 7.303537
_cell_length_c 9.578525
_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 | 14fef41e-7a00-4b59-8a2f-b77af51fc3ce | mp-1209658 | Insert a Cn atom in the line between atoms at indices 16 and 11, and the inserted atom must be 4.50 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... | data_image0
_chemical_formula_structural Pr10C12Br6Cn
_chemical_formula_sum "Pr10 C12 Br6 Cn1"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_s... |
InsertBetweenAtomsAction | b8fc8527-6432-4adb-88c4-bf054473dffc | mp-1179989 | Insert a Mo atom in the line between atoms at indices 22 and 0, and the inserted atom must be 0.72 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I4N16Mo
_chemical_formula_sum "Pd2 C8 S8 I4 N16 Mo1"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8... |
InsertBetweenAtomsAction | 2ca5469c-5ec4-4188-9f27-309acb1ac6d7 | mp-1043265 | Insert a Be atom in the line between atoms at indices 13 and 5, and the inserted atom must be 6.73 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Zn2Fe4O10
_chemical_formula_sum "Zn2 Fe4 O10"
_cell_length_a 5.57547502
_cell_length_b 5.57547502
_cell_length_c 11.038242
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.60332246
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn2Fe4O10Be
_chemical_formula_sum "Zn2 Fe4 O10 Be1"
_cell_length_a 5.57547502
_cell_length_b 5.57547502
_cell_length_c 11.038242
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.60332246
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 04e88868-c5c6-41d2-ab04-864e673d19ed | mp-1047241 | Insert a U atom in the line between atoms at indices 2 and 1, and the inserted atom must be 1.05 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ca2MoWO6
_chemical_formula_sum "Ca2 Mo1 W1 O6"
_cell_length_a 5.605692
_cell_length_b 5.62752861
_cell_length_c 5.714742600000001
_cell_angle_alpha 60.58340427000001
_cell_angle_beta 60.6781164
_cell_angle_gamma 60.79860257000001
_... | data_image0
_chemical_formula_structural Ca2MoWO6U
_chemical_formula_sum "Ca2 Mo1 W1 O6 U1"
_cell_length_a 5.605692
_cell_length_b 5.62752861
_cell_length_c 5.714742600000001
_cell_angle_alpha 60.58340427000001
_cell_angle_beta 60.6781164
_cell_angle_gamma 60.7986025700000... |
InsertBetweenAtomsAction | 79c9daad-8925-4955-9b7f-63959bdae08d | mp-1517569 | Insert a Pa atom in the line between atoms at indices 31 and 28, and the inserted atom must be 4.37 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural K4Eu4Sb4W4O24
_chemical_formula_sum "K4 Eu4 Sb4 W4 O24"
_cell_length_a 8.417926
_cell_length_b 8.40426722
_cell_length_c 8.44088553
_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 K4Eu4Sb4W4O24Pa
_chemical_formula_sum "K4 Eu4 Sb4 W4 O24 Pa1"
_cell_length_a 8.417926
_cell_length_b 8.40426722
_cell_length_c 8.44088553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 4e6fc7c1-0e31-4a3f-8a87-eff6ea73d974 | mp-1237057 | Insert a Ir atom in the line between atoms at indices 9 and 6, and the inserted atom must be 2.56 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural CaTi2PbO6
_chemical_formula_sum "Ca1 Ti2 Pb1 O6"
_cell_length_a 3.901259
_cell_length_b 3.901259
_cell_length_c 8.1786
_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 CaTi2PbO6Ir
_chemical_formula_sum "Ca1 Ti2 Pb1 O6 Ir1"
_cell_length_a 3.901259
_cell_length_b 3.901259
_cell_length_c 8.1786
_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 | 271b2f5a-01f6-4ee2-9eac-696fa5b39415 | mp-29621 | Insert a Ce atom in the line between atoms at indices 3 and 14, and the inserted atom must be 2.82 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba10Bi6
_chemical_formula_sum "Ba10 Bi6"
_cell_length_a 10.28896437
_cell_length_b 10.28890659
_cell_length_c 7.98879513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00024749999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Bi6Ce
_chemical_formula_sum "Ba10 Bi6 Ce1"
_cell_length_a 10.28896437
_cell_length_b 10.28890659
_cell_length_c 7.98879513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00024749999999
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 97066d68-5393-479e-a95f-0fad2db9e156 | mp-753628 | Insert a No atom in the line between atoms at indices 14 and 15, and the inserted atom must be 6.61 angstrom from atom at 14 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 Li2V2F12No
_chemical_formula_sum "Li2 V2 F12 No1"
_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 | 843e41bd-bce0-4102-82e3-85660bdb1043 | mp-1021415 | Insert a Pm atom in the line between atoms at indices 3 and 4, and the inserted atom must be 3.47 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural La2Mg12Sn2
_chemical_formula_sum "La2 Mg12 Sn2"
_cell_length_a 5.253729
_cell_length_b 6.529946
_cell_length_c 11.951848
_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 La2Mg12Sn2Pm
_chemical_formula_sum "La2 Mg12 Sn2 Pm1"
_cell_length_a 5.253729
_cell_length_b 6.529946
_cell_length_c 11.951848
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | fdd497c1-1ae6-4abd-9fa1-c2f299b23aeb | mp-26995 | Insert a Eu atom in the line between atoms at indices 9 and 21, and the inserted atom must be 1.00 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li2Co2P4O14
_chemical_formula_sum "Li2 Co2 P4 O14"
_cell_length_a 8.123492
_cell_length_b 4.868697
_cell_length_c 6.99665678
_cell_angle_alpha 71.49315879
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2Co2P4O14Eu
_chemical_formula_sum "Li2 Co2 P4 O14 Eu1"
_cell_length_a 8.123492
_cell_length_b 4.868697
_cell_length_c 6.99665678
_cell_angle_alpha 71.49315879
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 38a62bdd-2dce-4627-a3cc-ea0374b21f7f | mp-756816 | Insert a Sn atom in the line between atoms at indices 7 and 5, and the inserted atom must be 0.99 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li3Fe3O8
_chemical_formula_sum "Li3 Fe3 O8"
_cell_length_a 5.87904966
_cell_length_b 5.87904966
_cell_length_c 5.87904966
_cell_angle_alpha 121.9109234
_cell_angle_beta 118.711455
_cell_angle_gamma 89.48438635
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li3Fe3O8Sn
_chemical_formula_sum "Li3 Fe3 O8 Sn1"
_cell_length_a 5.87904966
_cell_length_b 5.87904966
_cell_length_c 5.87904966
_cell_angle_alpha 121.9109234
_cell_angle_beta 118.711455
_cell_angle_gamma 89.48438635
_space_group_na... |
InsertBetweenAtomsAction | 6f1576fd-50f0-4f4e-9a73-a4e5e00c68d5 | mp-661715 | Insert a Cn atom in the line between atoms at indices 3 and 16, and the inserted atom must be 0.80 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 Ti2S2Cl12O2Cn
_chemical_formula_sum "Ti2 S2 Cl12 O2 Cn1"
_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 | 0140c337-a09a-4888-8f9e-7ea04c5259b4 | mp-510581 | Insert a Y atom in the line between atoms at indices 6 and 2, and the inserted atom must be 3.66 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4
_chemical_formula_sum "Pr2 Ni2 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4Y
_chemical_formula_sum "Pr2 Ni2 Sn2 H4 Y1"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | f53f0370-7765-4c02-a0e5-0388fa533940 | mp-1227512 | Insert a Lu atom in the line between atoms at indices 17 and 15, and the inserted atom must be 2.34 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural Bi8Se6S6Lu
_chemical_formula_sum "Bi8 Se6 S6 Lu1"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
InsertBetweenAtomsAction | db4ad51b-05b3-451c-af94-e116715cff2a | mp-1201549 | Insert a Si atom in the line between atoms at indices 19 and 25, and the inserted atom must be 4.86 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Fe2Sb12Pb8Se28
_chemical_formula_sum "Fe2 Sb12 Pb8 Se28"
_cell_length_a 20.154961
_cell_length_b 4.146023
_cell_length_c 16.841557159999997
_cell_angle_alpha 88.04478357
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Fe2Sb12Pb8Se28Si
_chemical_formula_sum "Fe2 Sb12 Pb8 Se28 Si1"
_cell_length_a 20.154961
_cell_length_b 4.146023
_cell_length_c 16.841557159999997
_cell_angle_alpha 88.04478357
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
InsertBetweenAtomsAction | 667db93e-9223-4fe5-a508-884440384b04 | mp-1021280 | Insert a Fe atom in the line between atoms at indices 5 and 13, and the inserted atom must be 2.68 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li2Mg12Bi2
_chemical_formula_sum "Li2 Mg12 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 Li2Mg12Bi2Fe
_chemical_formula_sum "Li2 Mg12 Bi2 Fe1"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 | 74b61300-3fce-4ec6-9173-012ed16d5658 | mp-1217800 | Insert a Na atom in the line between atoms at indices 3 and 40, and the inserted atom must be 1.19 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... | data_image0
_chemical_formula_structural Ta12MoO33Na
_chemical_formula_sum "Ta12 Mo1 O33 Na1"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969... |
InsertBetweenAtomsAction | b747bdfd-e9f3-403b-a0ed-ec3225183a6f | mp-773076 | Insert a Pd atom in the line between atoms at indices 49 and 45, and the inserted atom must be 2.23 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Li8Co16O32
_chemical_formula_sum "Li8 Co16 O32"
_cell_length_a 8.056096
_cell_length_b 8.056096
_cell_length_c 8.056096
_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 Li8Co16O32Pd
_chemical_formula_sum "Li8 Co16 O32 Pd1"
_cell_length_a 8.056096
_cell_length_b 8.056096
_cell_length_c 8.056096
_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 | 952e2a12-e789-4cc2-9f7a-002a30026451 | mp-1188770 | Insert a B atom in the line between atoms at indices 3 and 8, and the inserted atom must be 5.54 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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 Er12Co4B
_chemical_formula_sum "Er12 Co4 B1"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
InsertBetweenAtomsAction | a8927aea-e81a-4397-818c-a0de3773ace2 | mp-1037998 | Insert a Pa atom in the line between atoms at indices 7 and 25, and the inserted atom must be 4.65 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg30AlCdO32Pa
_chemical_formula_sum "Mg30 Al1 Cd1 O32 Pa1"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | ef0f5e76-f363-4cd4-903b-cb7933193100 | mp-2227915 | Insert a Li atom in the line between atoms at indices 0 and 12, and the inserted atom must be 1.27 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural MgTe4Mo3WS4
_chemical_formula_sum "Mg1 Te4 Mo3 W1 S4"
_cell_length_a 3.38244389
_cell_length_b 3.3819439799999995
_cell_length_c 41.22090745
_cell_angle_alpha 90.00130695999998
_cell_angle_beta 90.11736892000002
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural MgTe4Mo3WS4Li
_chemical_formula_sum "Mg1 Te4 Mo3 W1 S4 Li1"
_cell_length_a 3.38244389
_cell_length_b 3.3819439799999995
_cell_length_c 41.22090745
_cell_angle_alpha 90.00130695999998
_cell_angle_beta 90.11736892000002
_cell_angle_gamma... |
InsertBetweenAtomsAction | 1b605e85-1903-4b89-8e10-8d18a9936016 | mp-1228475 | Insert a I atom in the line between atoms at indices 0 and 25, and the inserted atom must be 0.84 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28I
_chemical_formula_sum "Ba10 Mn2 Co8 O28 I1"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | d531beda-f91f-468d-803c-1f7321ce3e1f | mp-17620 | Insert a Hf atom in the line between atoms at indices 9 and 18, and the inserted atom must be 2.68 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Tm6B6O18
_chemical_formula_sum "Tm6 B6 O18"
_cell_length_a 6.56371394
_cell_length_b 6.56371394
_cell_length_c 8.686243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999941
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tm6B6O18Hf
_chemical_formula_sum "Tm6 B6 O18 Hf1"
_cell_length_a 6.56371394
_cell_length_b 6.56371394
_cell_length_c 8.686243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999941
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | d9939a0e-8a2a-41f6-929a-d5a4d66f2bd9 | mp-777800 | Insert a Db atom in the line between atoms at indices 11 and 7, and the inserted atom must be 1.55 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Fe4O6F2
_chemical_formula_sum "Fe4 O6 F2"
_cell_length_a 5.58597388
_cell_length_b 5.58597388
_cell_length_c 4.69974869
_cell_angle_alpha 86.87530886
_cell_angle_beta 86.87530886
_cell_angle_gamma 65.441805
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Fe4O6F2Db
_chemical_formula_sum "Fe4 O6 F2 Db1"
_cell_length_a 5.58597388
_cell_length_b 5.58597388
_cell_length_c 4.69974869
_cell_angle_alpha 86.87530886
_cell_angle_beta 86.87530886
_cell_angle_gamma 65.441805
_space_group_name_... |
InsertBetweenAtomsAction | c9e09651-997c-49e1-a7fe-b7589b223b2d | mp-697170 | Insert a Er atom in the line between atoms at indices 18 and 28, and the inserted atom must be 6.25 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Mg4H24Br8N8
_chemical_formula_sum "Mg4 H24 Br8 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_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 Mg4H24Br8N8Er
_chemical_formula_sum "Mg4 H24 Br8 N8 Er1"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 325cbd9f-83f9-48c1-8874-6819e844a15c | mp-757411 | Insert a Tc atom in the line between atoms at indices 11 and 47, and the inserted atom must be 5.69 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... | data_image0
_chemical_formula_structural Li8Co4P8O28Tc
_chemical_formula_sum "Li8 Co4 P8 O28 Tc1"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_... |
InsertBetweenAtomsAction | a30c61a1-7041-42b8-9acd-d7c706c77879 | mp-1036398 | Insert a As atom in the line between atoms at indices 30 and 8, and the inserted atom must be 2.91 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_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 Mg14AlBO16As
_chemical_formula_sum "Mg14 Al1 B1 O16 As1"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3a3db07c-53c0-4ccd-a221-f623bebb31d3 | mp-1046855 | Insert a Tl atom in the line between atoms at indices 9 and 2, and the inserted atom must be 0.44 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ca2Sb4O8
_chemical_formula_sum "Ca2 Sb4 O8"
_cell_length_a 6.94412517
_cell_length_b 6.944125170000001
_cell_length_c 6.94412517
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Ca2Sb4O8Tl
_chemical_formula_sum "Ca2 Sb4 O8 Tl1"
_cell_length_a 6.94412517
_cell_length_b 6.944125170000001
_cell_length_c 6.94412517
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
InsertBetweenAtomsAction | 14528771-1367-4830-8d40-bbe0939f84ea | mp-570610 | Insert a La atom in the line between atoms at indices 18 and 19, and the inserted atom must be 16.64 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cd13I26La
_chemical_formula_sum "Cd13 I26 La1"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b816c572-d8b6-448a-acb4-46b9333038cb | mp-1175691 | Insert a Na atom in the line between atoms at indices 19 and 6, and the inserted atom must be 4.04 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Na
_chemical_formula_sum "Li9 Mn2 Co5 O16 Na1"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.3025... |
InsertBetweenAtomsAction | d0d7d582-2d0b-43d7-b8f4-8d76e19209cd | mp-1218051 | Insert a Mn atom in the line between atoms at indices 5 and 3, and the inserted atom must be 1.46 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ta4MoS8
_chemical_formula_sum "Ta4 Mo1 S8"
_cell_length_a 3.32250052
_cell_length_b 3.32250052
_cell_length_c 25.410429
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001028000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta4MoS8Mn
_chemical_formula_sum "Ta4 Mo1 S8 Mn1"
_cell_length_a 3.32250052
_cell_length_b 3.32250052
_cell_length_c 25.410429
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001028000001
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 1ff9dfca-e0b1-4b4d-82b2-8d1143f937e6 | mp-782632 | Insert a Xe atom in the line between atoms at indices 30 and 8, and the inserted atom must be 6.92 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Ni8S16O64Xe
_chemical_formula_sum "Li8 Ni8 S16 O64 Xe1"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 14a8fc45-f75e-4e14-a9c6-69080c788467 | mp-1074751 | Insert a Ne atom in the line between atoms at indices 7 and 0, and the inserted atom must be 0.46 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.96411
_cell_length_b 6.031043
_cell_length_c 7.63054751
_cell_angle_alpha 66.95852602
_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 Mg8Si4Ne
_chemical_formula_sum "Mg8 Si4 Ne1"
_cell_length_a 5.96411
_cell_length_b 6.031043
_cell_length_c 7.63054751
_cell_angle_alpha 66.95852602
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 7f89c83c-9be9-48e4-b962-9cf3f6d78f4e | mp-1207428 | Insert a Cn atom in the line between atoms at indices 7 and 4, and the inserted atom must be 2.47 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4Cn
_chemical_formula_sum "Zr4 Ni4 As4 Cn1"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | eeebda16-d800-47ff-b132-7d48d214f6af | mp-567381 | Insert a Xe atom in the line between atoms at indices 14 and 9, and the inserted atom must be 0.66 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural K4Hg4C8
_chemical_formula_sum "K4 Hg4 C8"
_cell_length_a 17.91584894
_cell_length_b 17.486908269999997
_cell_length_c 5.171992299999999
_cell_angle_alpha 86.33461668
_cell_angle_beta 76.92162255
_cell_angle_gamma 16.743760769999987
... | data_image0
_chemical_formula_structural K4Hg4C8Xe
_chemical_formula_sum "K4 Hg4 C8 Xe1"
_cell_length_a 17.91584894
_cell_length_b 17.486908269999997
_cell_length_c 5.171992299999999
_cell_angle_alpha 86.33461668
_cell_angle_beta 76.92162255
_cell_angle_gamma 16.7437607699... |
InsertBetweenAtomsAction | d5ce72f3-9df6-4992-8d70-7ce56d50affe | mp-1508 | Insert a Au atom in the line between atoms at indices 12 and 18, and the inserted atom must be 3.95 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural La8S16Au
_chemical_formula_sum "La8 S16 Au1"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | fc528c93-e98a-4591-97ef-5b8731c03116 | mp-781738 | Insert a Cn atom in the line between atoms at indices 12 and 45, and the inserted atom must be 1.77 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O32Cn
_chemical_formula_sum "Na12 V4 B8 S2 O32 Cn1"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.... |
InsertBetweenAtomsAction | 2410abf2-4294-4e34-8253-6622163f711e | mp-766361 | Insert a Cf atom in the line between atoms at indices 17 and 7, and the inserted atom must be 4.75 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb20O50Cf
_chemical_formula_sum "Nb20 O50 Cf1"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_na... |
InsertBetweenAtomsAction | e9476704-411a-4bd7-a5ea-6da452061a05 | mp-1173920 | Insert a Ba atom in the line between atoms at indices 10 and 3, and the inserted atom must be 2.80 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_g... | data_image0
_chemical_formula_structural Li4Mn2Co2O8Ba
_chemical_formula_sum "Li4 Mn2 Co2 O8 Ba1"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_s... |
InsertBetweenAtomsAction | d254a96c-7ff6-4189-8c68-f4446103bd20 | mp-1193845 | Insert a U atom in the line between atoms at indices 22 and 15, and the inserted atom must be 1.76 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al7Cu16U
_chemical_formula_sum "Ho6 Al7 Cu16 U1"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | 21e7415d-7a4c-47b9-ac27-f644bc601ee0 | mp-1207428 | Insert a Er atom in the line between atoms at indices 8 and 2, and the inserted atom must be 3.91 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4Er
_chemical_formula_sum "Zr4 Ni4 As4 Er1"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 101d78ca-ea5e-496b-9f6d-70b8c7f38aff | mp-756426 | Insert a Ti atom in the line between atoms at indices 9 and 11, and the inserted atom must be 1.06 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Zr2Nb2O8
_chemical_formula_sum "Zr2 Nb2 O8"
_cell_length_a 6.36032836
_cell_length_b 6.36032836
_cell_length_c 5.14539008
_cell_angle_alpha 68.33015732
_cell_angle_beta 68.33015732
_cell_angle_gamma 113.67927965
_space_group_name_H... | data_image0
_chemical_formula_structural Zr2Nb2O8Ti
_chemical_formula_sum "Zr2 Nb2 O8 Ti1"
_cell_length_a 6.36032836
_cell_length_b 6.36032836
_cell_length_c 5.14539008
_cell_angle_alpha 68.33015732
_cell_angle_beta 68.33015732
_cell_angle_gamma 113.67927965
_space_group_... |
InsertBetweenAtomsAction | 2d27d8d7-12e7-4cd5-a186-7de029e84775 | mp-2223616 | Insert a Ho atom in the line between atoms at indices 5 and 1, and the inserted atom must be 1.61 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgCuH4O2F2Ho
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2 Ho1"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4... |
InsertBetweenAtomsAction | b33c0586-478c-4820-a653-1fdead627c84 | mp-4279 | Insert a Al atom in the line between atoms at indices 6 and 4, and the inserted atom must be 2.85 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ca4Ge8O20
_chemical_formula_sum "Ca4 Ge8 O20"
_cell_length_a 5.73313539
_cell_length_b 7.32176262
_cell_length_c 8.30649173
_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 Ca4Ge8O20Al
_chemical_formula_sum "Ca4 Ge8 O20 Al1"
_cell_length_a 5.73313539
_cell_length_b 7.32176262
_cell_length_c 8.30649173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 802b75de-9b16-402f-9ce2-11cc2cee87af | mp-30012 | Insert a Re atom in the line between atoms at indices 25 and 21, and the inserted atom must be 7.21 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Bi4Kr4F28Re
_chemical_formula_sum "Bi4 Kr4 F28 Re1"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | d7916339-e53b-4862-98d1-2245f5fb9269 | mp-740718 | Insert a Pb atom in the line between atoms at indices 37 and 30, and the inserted atom must be 0.96 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24Pb
_chemical_formula_sum "Al8 H48 N16 Cl24 Pb1"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 625baba5-7e4f-4715-9ce2-862e27bebab7 | mp-752785 | Insert a Es atom in the line between atoms at indices 14 and 6, and the inserted atom must be 1.36 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4U4O17Es
_chemical_formula_sum "Sm4 U4 O17 Es1"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_nam... |
InsertBetweenAtomsAction | 9fa163e0-6d8c-4e85-84e0-baeb4d1c3d46 | mp-721707 | Insert a Th atom in the line between atoms at indices 22 and 36, and the inserted atom must be 3.67 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H24C12N16O12Th
_chemical_formula_sum "H24 C12 N16 O12 Th1"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86... |
InsertBetweenAtomsAction | 814c888a-59ff-473d-a93d-5f86c8eb6baf | mp-1078280 | Insert a Er atom in the line between atoms at indices 5 and 4, and the inserted atom must be 1.74 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ca4Ga2Pd4
_chemical_formula_sum "Ca4 Ga2 Pd4"
_cell_length_a 5.71127494
_cell_length_b 5.71127494
_cell_length_c 7.784373920000001
_cell_angle_alpha 78.83040982
_cell_angle_beta 78.83040982
_cell_angle_gamma 59.933964769999996
_spa... | data_image0
_chemical_formula_structural Ca4Ga2Pd4Er
_chemical_formula_sum "Ca4 Ga2 Pd4 Er1"
_cell_length_a 5.71127494
_cell_length_b 5.71127494
_cell_length_c 7.784373920000001
_cell_angle_alpha 78.83040982
_cell_angle_beta 78.83040982
_cell_angle_gamma 59.933964769999996... |
InsertBetweenAtomsAction | d439d128-0dc2-4807-bcdf-794c8e928349 | mp-2228948 | Insert a Nh atom in the line between atoms at indices 2 and 10, and the inserted atom must be 1.77 angstrom from atom at 2 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 MgSb2P2H2O10Nh
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10 Nh1"
_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 | 19522a7c-f460-473f-8190-da6682f1e9cd | mp-1078929 | Insert a Pb atom in the line between atoms at indices 0 and 4, and the inserted atom must be 0.81 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Hg4Br4N2
_chemical_formula_sum "Hg4 Br4 N2"
_cell_length_a 7.20815582
_cell_length_b 7.208155820000001
_cell_length_c 6.247823
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999833000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Hg4Br4N2Pb
_chemical_formula_sum "Hg4 Br4 N2 Pb1"
_cell_length_a 7.20815582
_cell_length_b 7.208155820000001
_cell_length_c 6.247823
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999833000001
_space_group_nam... |
InsertBetweenAtomsAction | 9f10b08b-d764-457c-b51a-2cc96332738b | mp-1212544 | Insert a Tm atom in the line between atoms at indices 18 and 14, and the inserted atom must be 0.83 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Na3V3H6O7
_chemical_formula_sum "Na3 V3 H6 O7"
_cell_length_a 11.36722494
_cell_length_b 9.53428863
_cell_length_c 9.20006227
_cell_angle_alpha 116.24429008
_cell_angle_beta 99.17871412
_cell_angle_gamma 91.60163884
_space_group_na... | data_image0
_chemical_formula_structural Na3V3H6O7Tm
_chemical_formula_sum "Na3 V3 H6 O7 Tm1"
_cell_length_a 11.36722494
_cell_length_b 9.53428863
_cell_length_c 9.20006227
_cell_angle_alpha 116.24429008
_cell_angle_beta 99.17871412
_cell_angle_gamma 91.60163884
_space_gr... |
InsertBetweenAtomsAction | 8fd43b2e-78a6-4004-a8db-7d5fffad08e2 | mp-771136 | Insert a Sm atom in the line between atoms at indices 17 and 33, and the inserted atom must be 4.73 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... | data_image0
_chemical_formula_structural Ho4Se6O24Sm
_chemical_formula_sum "Ho4 Se6 O24 Sm1"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space... |
InsertBetweenAtomsAction | 5d8d273f-c52b-4418-9574-602675c41f20 | mp-775339 | Insert a Mc atom in the line between atoms at indices 44 and 6, and the inserted atom must be 3.87 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si12O30Mc
_chemical_formula_sum "Li4 V2 Si12 O30 Mc1"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | c1068a93-0df0-48ce-a7d3-f745dd2f9b2f | mp-1213259 | Insert a Ba atom in the line between atoms at indices 0 and 30, and the inserted atom must be 3.49 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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 Mn32Sn20Ba
_chemical_formula_sum "Mn32 Sn20 Ba1"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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 | 58be7ecf-207c-4a20-8777-c5f411369d59 | mp-1226671 | Insert a Am atom in the line between atoms at indices 21 and 3, and the inserted atom must be 0.63 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... | data_image0
_chemical_formula_structural Co4P6H22N4O18Am
_chemical_formula_sum "Co4 P6 H22 N4 O18 Am1"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_gro... |
InsertBetweenAtomsAction | b6fe58cf-df5e-4513-bbe9-26ff3a0d99cd | mp-1173581 | Insert a Cd atom in the line between atoms at indices 39 and 20, and the inserted atom must be 4.04 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Ti8P8O40Cd
_chemical_formula_sum "Na8 Ti8 P8 O40 Cd1"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f4f148a0-fd24-4f7d-b21e-57240b297e85 | mp-1233593 | Insert a Bh atom in the line between atoms at indices 16 and 24, and the inserted atom must be 3.02 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O16Bh
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16 Bh1"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378... |
InsertBetweenAtomsAction | acd3709e-8d64-433f-abd5-31fc86fabd50 | mp-2226963 | Insert a Cf atom in the line between atoms at indices 12 and 0, and the inserted atom must be 1.20 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Rb3NaMgW2O8
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_gr... | data_image0
_chemical_formula_structural Rb3NaMgW2O8Cf
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8 Cf1"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_sp... |
InsertBetweenAtomsAction | 0f252bd0-2ab5-4583-9a28-b4d08ba9c9bc | mp-1198084 | Insert a Pr atom in the line between atoms at indices 34 and 1, and the inserted atom must be 2.33 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Ca6S6O27
_chemical_formula_sum "Ca6 S6 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... | data_image0
_chemical_formula_structural Ca6S6O27Pr
_chemical_formula_sum "Ca6 S6 O27 Pr1"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565... |
InsertBetweenAtomsAction | 5e676ef4-bc97-45dc-be94-45772bf87cb5 | mp-770417 | Insert a Rn atom in the line between atoms at indices 32 and 29, and the inserted atom must be 1.10 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24Rn
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24 Rn1"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.... |
InsertBetweenAtomsAction | 20ebce02-f997-43b9-a00b-ac24be1fa965 | mp-1245067 | Insert a Pr atom in the line between atoms at indices 86 and 21, and the inserted atom must be 4.88 angstrom from atom at 86 in the cif file. | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... | data_image0
_chemical_formula_structural Al100Pr
_chemical_formula_sum "Al100 Pr1"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_... |
InsertBetweenAtomsAction | 9301704b-11e5-4659-a950-13a9f9e6755b | mp-754801 | Insert a Nh atom in the line between atoms at indices 20 and 17, and the inserted atom must be 3.12 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O13Nh
_chemical_formula_sum "Li3 Ti6 O13 Nh1"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_spac... |
InsertBetweenAtomsAction | 0c68992a-ef9d-4175-9cbd-d6d0d4b0e858 | mp-1185731 | Insert a Pt atom in the line between atoms at indices 10 and 2, and the inserted atom must be 2.80 angstrom from atom at 10 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 Mg16ScAl12Pt
_chemical_formula_sum "Mg16 Sc1 Al12 Pt1"
_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 | 83c00b6d-bef5-4cf1-a03f-5211355914eb | mp-1111627 | Insert a Po atom in the line between atoms at indices 4 and 6, and the inserted atom must be 1.25 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2NaPdF6Po
_chemical_formula_sum "K2 Na1 Pd1 F6 Po1"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | e011483a-38f5-44bc-ab5c-eefdb97f3497 | mp-1174239 | Insert a Lu atom in the line between atoms at indices 23 and 18, and the inserted atom must be 1.14 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8Co6O14Lu
_chemical_formula_sum "Li8 Co6 O14 Lu1"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_n... |
InsertBetweenAtomsAction | 77cb902c-00c8-4e03-a544-22d63ee85dbe | mp-558194 | Insert a K atom in the line between atoms at indices 1 and 13, and the inserted atom must be 0.98 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Na2La2Mg2W2O12
_chemical_formula_sum "Na2 La2 Mg2 W2 O12"
_cell_length_a 5.60498325
_cell_length_b 5.604983250000001
_cell_length_c 7.958433200000001
_cell_angle_alpha 89.95392383
_cell_angle_beta 89.95392383
_cell_angle_gamma 90.61... | data_image0
_chemical_formula_structural Na2La2Mg2W2O12K
_chemical_formula_sum "Na2 La2 Mg2 W2 O12 K1"
_cell_length_a 5.60498325
_cell_length_b 5.604983250000001
_cell_length_c 7.958433200000001
_cell_angle_alpha 89.95392383
_cell_angle_beta 89.95392383
_cell_angle_gamma 9... |
InsertBetweenAtomsAction | 92dfa6a1-f5f6-4a88-81c0-e30a773bc7b1 | mp-779083 | Insert a Au atom in the line between atoms at indices 6 and 13, and the inserted atom must be 1.35 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... | data_image0
_chemical_formula_structural Li2V3SnO8Au
_chemical_formula_sum "Li2 V3 Sn1 O8 Au1"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_gro... |
InsertBetweenAtomsAction | 332f35cb-46cc-4f2c-be33-8c286be5e27e | mp-562403 | Insert a Tb atom in the line between atoms at indices 9 and 3, and the inserted atom must be 1.57 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cs4As4O4F16
_chemical_formula_sum "Cs4 As4 O4 F16"
_cell_length_a 6.48014715
_cell_length_b 5.12260146
_cell_length_c 14.13646541
_cell_angle_alpha 83.90329683
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4As4O4F16Tb
_chemical_formula_sum "Cs4 As4 O4 F16 Tb1"
_cell_length_a 6.48014715
_cell_length_b 5.12260146
_cell_length_c 14.13646541
_cell_angle_alpha 83.90329683
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 4853c5b6-d35c-4e34-90ba-6aee8e1b9073 | mp-29185 | Insert a Md atom in the line between atoms at indices 11 and 8, and the inserted atom must be 1.37 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O6F4Md
_chemical_formula_sum "Te4 O6 F4 Md1"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.6783140999999... |
InsertBetweenAtomsAction | 75a56df6-e8ea-4f56-b214-faa86903f79e | mp-776521 | Insert a Ar atom in the line between atoms at indices 23 and 7, and the inserted atom must be 4.27 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Ti3V2SbP6O24
_chemical_formula_sum "Ti3 V2 Sb1 P6 O24"
_cell_length_a 8.68819717
_cell_length_b 8.68819717
_cell_length_c 8.68819765
_cell_angle_alpha 60.802887500000004
_cell_angle_beta 60.802887500000004
_cell_angle_gamma 60.80288... | data_image0
_chemical_formula_structural Ti3V2SbP6O24Ar
_chemical_formula_sum "Ti3 V2 Sb1 P6 O24 Ar1"
_cell_length_a 8.68819717
_cell_length_b 8.68819717
_cell_length_c 8.68819765
_cell_angle_alpha 60.802887500000004
_cell_angle_beta 60.802887500000004
_cell_angle_gamma 60... |
InsertBetweenAtomsAction | 91cb2463-bca1-411f-8662-13af463944a9 | mp-1188903 | Insert a Am atom in the line between atoms at indices 16 and 15, and the inserted atom must be 1.05 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Pt2Cl8O10
_chemical_formula_sum "Pt2 Cl8 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_nam... | data_image0
_chemical_formula_structural Pt2Cl8O10Am
_chemical_formula_sum "Pt2 Cl8 O10 Am1"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_gro... |
InsertBetweenAtomsAction | 48b9a602-2fbe-4656-b5b5-6036872f84bf | mp-1016677 | Insert a Ti atom in the line between atoms at indices 12 and 5, and the inserted atom must be 1.78 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Mg12Cr2C2
_chemical_formula_sum "Mg12 Cr2 C2"
_cell_length_a 3.111152
_cell_length_b 9.703971
_cell_length_c 10.344159
_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 Mg12Cr2C2Ti
_chemical_formula_sum "Mg12 Cr2 C2 Ti1"
_cell_length_a 3.111152
_cell_length_b 9.703971
_cell_length_c 10.344159
_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 | c3cb2efc-01ad-406c-864b-cb7317585bf6 | mp-1194096 | Insert a Ne atom in the line between atoms at indices 34 and 2, and the inserted atom must be 0.59 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... | data_image0
_chemical_formula_structural Sr8Ni4Se12O36Ne
_chemical_formula_sum "Sr8 Ni4 Se12 O36 Ne1"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 1... |
InsertBetweenAtomsAction | d27dfbdc-f562-415a-a268-b218a0068771 | mp-761020 | Insert a Cd atom in the line between atoms at indices 10 and 7, and the inserted atom must be 5.20 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Co8O4F12
_chemical_formula_sum "Co8 O4 F12"
_cell_length_a 5.61457836
_cell_length_b 5.61457836
_cell_length_c 10.15479898
_cell_angle_alpha 70.44611164
_cell_angle_beta 70.44611164
_cell_angle_gamma 67.69860746
_space_group_name_H... | data_image0
_chemical_formula_structural Co8O4F12Cd
_chemical_formula_sum "Co8 O4 F12 Cd1"
_cell_length_a 5.61457836
_cell_length_b 5.61457836
_cell_length_c 10.15479898
_cell_angle_alpha 70.44611164
_cell_angle_beta 70.44611164
_cell_angle_gamma 67.69860746
_space_group_... |
InsertBetweenAtomsAction | 7a65ad8d-44fe-4b9a-8d20-1f966957f2fb | mp-1047132 | Insert a Re atom in the line between atoms at indices 11 and 3, and the inserted atom must be 0.49 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... | data_image0
_chemical_formula_structural Ca2Ag4O8Re
_chemical_formula_sum "Ca2 Ag4 O8 Re1"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
... |
InsertBetweenAtomsAction | 7990979c-c8c4-4283-bd94-0305d405c4ed | mp-626083 | Insert a Nd atom in the line between atoms at indices 15 and 3, and the inserted atom must be 3.91 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Si4H4O10
_chemical_formula_sum "Si4 H4 O10"
_cell_length_a 8.9706373
_cell_length_b 8.9706373
_cell_length_c 5.22221603
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_gamma 37.204511430000004
_space_group_na... | data_image0
_chemical_formula_structural Si4H4O10Nd
_chemical_formula_sum "Si4 H4 O10 Nd1"
_cell_length_a 8.9706373
_cell_length_b 8.9706373
_cell_length_c 5.22221603
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_gamma 37.204511430000004
_space_gr... |
InsertBetweenAtomsAction | 5a5ba08b-f4f5-47a0-8c19-e2f4023c7c86 | mp-19265 | Insert a Pa atom in the line between atoms at indices 18 and 9, and the inserted atom must be 2.87 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Dy4Ni4O12
_chemical_formula_sum "Dy4 Ni4 O12"
_cell_length_a 5.15399503
_cell_length_b 5.49893767
_cell_length_c 7.390526829999999
_cell_angle_alpha 89.99977502
_cell_angle_beta 89.99809542
_cell_angle_gamma 90.00004845000001
_spac... | data_image0
_chemical_formula_structural Dy4Ni4O12Pa
_chemical_formula_sum "Dy4 Ni4 O12 Pa1"
_cell_length_a 5.15399503
_cell_length_b 5.49893767
_cell_length_c 7.390526829999999
_cell_angle_alpha 89.99977502
_cell_angle_beta 89.99809542
_cell_angle_gamma 90.00004845000001
... |
InsertBetweenAtomsAction | f3f0d0da-cf25-44a1-9dd5-e3fe9d07b1ab | mp-1042880 | Insert a La atom in the line between atoms at indices 23 and 19, and the inserted atom must be 0.69 angstrom from atom at 23 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 Zn4Ni6O16La
_chemical_formula_sum "Zn4 Ni6 O16 La1"
_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 | 2be277df-411e-4087-a675-d0107d7a1ce7 | mp-753857 | Insert a Cr atom in the line between atoms at indices 4 and 0, and the inserted atom must be 1.10 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mn4O4F6
_chemical_formula_sum "Mn4 O4 F6"
_cell_length_a 5.55561473
_cell_length_b 5.55561473
_cell_length_c 6.933818450000001
_cell_angle_alpha 73.05685679
_cell_angle_beta 73.05685679
_cell_angle_gamma 54.0499085
_space_group_nam... | data_image0
_chemical_formula_structural Mn4O4F6Cr
_chemical_formula_sum "Mn4 O4 F6 Cr1"
_cell_length_a 5.55561473
_cell_length_b 5.55561473
_cell_length_c 6.933818450000001
_cell_angle_alpha 73.05685679
_cell_angle_beta 73.05685679
_cell_angle_gamma 54.0499085
_space_gro... |
InsertBetweenAtomsAction | 40303ede-9b12-4c19-a18f-26d28e0fc391 | mp-759335 | Insert a Ho atom in the line between atoms at indices 26 and 72, and the inserted atom must be 4.63 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V6P16O58Ho
_chemical_formula_sum "Li10 V6 P16 O58 Ho1"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space... |
InsertBetweenAtomsAction | df69fe98-9610-432a-878e-970bf45c30d3 | mp-1212504 | Insert a Og atom in the line between atoms at indices 44 and 54, and the inserted atom must be 1.58 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P12H20W4O36Og
_chemical_formula_sum "Nd8 P12 H20 W4 O36 Og1"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | 0ac5436b-ecc3-4974-82a5-633f50433ce4 | mp-1028120 | Insert a Og atom in the line between atoms at indices 5 and 15, and the inserted atom must be 3.31 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural CaMg14COg
_chemical_formula_sum "Ca1 Mg14 C1 Og1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | de67b631-a57f-46e7-8980-2deb43cbe131 | mp-606121 | Insert a At atom in the line between atoms at indices 11 and 12, and the inserted atom must be 12.98 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ce4Bi10Rh6
_chemical_formula_sum "Ce4 Bi10 Rh6"
_cell_length_a 13.88962224
_cell_length_b 13.88962224
_cell_length_c 7.577222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.66538879
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Bi10Rh6At
_chemical_formula_sum "Ce4 Bi10 Rh6 At1"
_cell_length_a 13.88962224
_cell_length_b 13.88962224
_cell_length_c 7.577222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.66538879
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 5a056b9d-5864-4b22-b55d-2895b2070539 | mp-554765 | Insert a Ru atom in the line between atoms at indices 12 and 7, and the inserted atom must be 4.17 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSb2F12Ru
_chemical_formula_sum "Ba1 Sb2 F12 Ru1"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_... |
InsertBetweenAtomsAction | dadbe1c0-6fca-4f7d-9c89-c4b5a7f50ab9 | mp-1105809 | Insert a Zr atom in the line between atoms at indices 4 and 6, and the inserted atom must be 1.17 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ce8Se6N4
_chemical_formula_sum "Ce8 Se6 N4"
_cell_length_a 8.33568922
_cell_length_b 8.33568922
_cell_length_c 6.50426929
_cell_angle_alpha 90.17803823
_cell_angle_beta 90.17803823
_cell_angle_gamma 75.50873806
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce8Se6N4Zr
_chemical_formula_sum "Ce8 Se6 N4 Zr1"
_cell_length_a 8.33568922
_cell_length_b 8.33568922
_cell_length_c 6.50426929
_cell_angle_alpha 90.17803823
_cell_angle_beta 90.17803823
_cell_angle_gamma 75.50873806
_space_group_n... |
InsertBetweenAtomsAction | b1910a62-07c9-4889-9313-ec4e627bec64 | mp-5794 | Insert a U atom in the line between atoms at indices 2 and 5, and the inserted atom must be 0.76 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Zn2Ga4O8
_chemical_formula_sum "Zn2 Ga4 O8"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... | data_image0
_chemical_formula_structural Zn2Ga4O8U
_chemical_formula_sum "Zn2 Ga4 O8 U1"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.999991... |
InsertBetweenAtomsAction | cc08b7ab-0e0a-4517-9ec8-05e97016e722 | mp-1101376 | Insert a Rf atom in the line between atoms at indices 5 and 12, and the inserted atom must be 1.59 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ta4Ge4O14
_chemical_formula_sum "Ta4 Ge4 O14"
_cell_length_a 13.66819192
_cell_length_b 13.66819192
_cell_length_c 5.791745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.60802685
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ta4Ge4O14Rf
_chemical_formula_sum "Ta4 Ge4 O14 Rf1"
_cell_length_a 13.66819192
_cell_length_b 13.66819192
_cell_length_c 5.791745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.60802685
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | a73f084c-f876-41ee-9d3e-708f4de6442f | mp-1112279 | Insert a Mg atom in the line between atoms at indices 7 and 1, and the inserted atom must be 1.74 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K2AgPdF6
_chemical_formula_sum "K2 Ag1 Pd1 F6"
_cell_length_a 6.19613065
_cell_length_b 6.196130650000001
_cell_length_c 6.19613065
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural K2AgPdF6Mg
_chemical_formula_sum "K2 Ag1 Pd1 F6 Mg1"
_cell_length_a 6.19613065
_cell_length_b 6.196130650000001
_cell_length_c 6.19613065
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
InsertBetweenAtomsAction | bb161c04-0dfd-45bf-806e-8f24449ed037 | mp-34009 | Insert a Ge atom in the line between atoms at indices 9 and 11, and the inserted atom must be 1.08 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ce2Sm4S8
_chemical_formula_sum "Ce2 Sm4 S8"
_cell_length_a 7.38715013
_cell_length_b 7.38715013
_cell_length_c 7.38715013
_cell_angle_alpha 109.54757916999999
_cell_angle_beta 109.54757916999999
_cell_angle_gamma 109.31861126
_spac... | data_image0
_chemical_formula_structural Ce2Sm4S8Ge
_chemical_formula_sum "Ce2 Sm4 S8 Ge1"
_cell_length_a 7.38715013
_cell_length_b 7.38715013
_cell_length_c 7.38715013
_cell_angle_alpha 109.54757916999999
_cell_angle_beta 109.54757916999999
_cell_angle_gamma 109.31861126
... |
InsertBetweenAtomsAction | 90a5502b-245f-4241-936b-b1cf461df9ba | mp-1341052 | Insert a Cu atom in the line between atoms at indices 8 and 5, and the inserted atom must be 3.62 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ca4W4O10
_chemical_formula_sum "Ca4 W4 O10"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_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 Ca4W4O10Cu
_chemical_formula_sum "Ca4 W4 O10 Cu1"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_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 | 4c3c7908-1187-4506-ad8c-0039533ad118 | mp-674329 | Insert a Zr atom in the line between atoms at indices 4 and 12, and the inserted atom must be 5.55 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural La4Cd2Te8
_chemical_formula_sum "La4 Cd2 Te8"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_space_gr... | data_image0
_chemical_formula_structural La4Cd2Te8Zr
_chemical_formula_sum "La4 Cd2 Te8 Zr1"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_sp... |
InsertBetweenAtomsAction | dde6586c-aabb-4602-aa96-9cf442c45b07 | mp-771159 | Insert a Y atom in the line between atoms at indices 19 and 4, and the inserted atom must be 2.17 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16Y
_chemical_formula_sum "Li4 V6 W2 O16 Y1"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90... |
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