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 | 05c05224-cb39-404d-9596-b02aa665f2d8 | mp-13211 | Insert a Yb atom in the line between atoms at indices 17 and 4, and the inserted atom must be 0.73 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14Yb
_chemical_formula_sum "Ag4 Te4 O14 Yb1"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001... |
InsertBetweenAtomsAction | af42dce7-5fd1-40c2-b5e4-d624b4eece58 | mp-1246483 | Insert a Ru atom in the line between atoms at indices 18 and 10, and the inserted atom must be 3.03 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 Li12Re2N8Ru
_chemical_formula_sum "Li12 Re2 N8 Ru1"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 | bc7f7bd2-cacf-441d-a150-4627a1073615 | mp-27148 | Insert a Zn atom in the line between atoms at indices 21 and 7, and the inserted atom must be 6.24 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be8P16Zn
_chemical_formula_sum "Be8 P16 Zn1"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_grou... |
InsertBetweenAtomsAction | 14c84ee5-4fb5-4277-b4e5-74d84505a0a3 | mp-559136 | Insert a Pa atom in the line between atoms at indices 43 and 12, and the inserted atom must be 8.62 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Ca4H32N8O40
_chemical_formula_sum "Ca4 H32 N8 O40"
_cell_length_a 9.08121717
_cell_length_b 6.04514035
_cell_length_c 14.66438184
_cell_angle_alpha 73.16406171
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4H32N8O40Pa
_chemical_formula_sum "Ca4 H32 N8 O40 Pa1"
_cell_length_a 9.08121717
_cell_length_b 6.04514035
_cell_length_c 14.66438184
_cell_angle_alpha 73.16406171
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 0bda861b-87f1-4503-ac44-c333b69b1bea | mp-1044904 | Insert a Ta atom in the line between atoms at indices 32 and 18, and the inserted atom must be 1.30 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28Ta
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28 Ta1"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.... |
InsertBetweenAtomsAction | 79c56062-bee3-4ae2-9d55-e5b75fbd4563 | mp-1341052 | Insert a Si atom in the line between atoms at indices 12 and 2, and the inserted atom must be 0.82 angstrom from atom at 12 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 Ca4W4O10Si
_chemical_formula_sum "Ca4 W4 O10 Si1"
_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 | 6f301c45-81f7-46ee-9e8d-96f42f96736c | mp-1036398 | Insert a Au atom in the line between atoms at indices 30 and 24, and the inserted atom must be 1.28 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 Mg14AlBO16Au
_chemical_formula_sum "Mg14 Al1 B1 O16 Au1"
_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 | 64fa21c5-c789-4205-8113-a3871a9ff372 | mp-866712 | Insert a Si atom in the line between atoms at indices 13 and 16, and the inserted atom must be 3.49 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Rb2Mn2P6H2O20
_chemical_formula_sum "Rb2 Mn2 P6 H2 O20"
_cell_length_a 7.45061739
_cell_length_b 7.4494786
_cell_length_c 8.81472559
_cell_angle_alpha 76.23618966
_cell_angle_beta 103.76421994
_cell_angle_gamma 109.87850337
_space_... | data_image0
_chemical_formula_structural Rb2Mn2P6H2O20Si
_chemical_formula_sum "Rb2 Mn2 P6 H2 O20 Si1"
_cell_length_a 7.45061739
_cell_length_b 7.4494786
_cell_length_c 8.81472559
_cell_angle_alpha 76.23618966
_cell_angle_beta 103.76421994
_cell_angle_gamma 109.87850337
_... |
InsertBetweenAtomsAction | f9a063fa-1fe6-4073-9e35-bf884f1c5832 | mp-1200799 | Insert a Ir atom in the line between atoms at indices 29 and 39, and the inserted atom must be 4.95 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Ca8P8O44
_chemical_formula_sum "Ca8 P8 O44"
_cell_length_a 7.594686
_cell_length_b 10.73256
_cell_length_c 12.41554938
_cell_angle_alpha 67.75535302
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ca8P8O44Ir
_chemical_formula_sum "Ca8 P8 O44 Ir1"
_cell_length_a 7.594686
_cell_length_b 10.73256
_cell_length_c 12.41554938
_cell_angle_alpha 67.75535302
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 3c384ba0-e213-463c-8e52-78ece4048c8a | mp-767946 | Insert a Li atom in the line between atoms at indices 28 and 8, and the inserted atom must be 1.66 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Mn2V3SbP6O24
_chemical_formula_sum "Mn2 V3 Sb1 P6 O24"
_cell_length_a 8.72948468
_cell_length_b 8.72948468
_cell_length_c 8.72948441
_cell_angle_alpha 59.75848674
_cell_angle_beta 59.75848674
_cell_angle_gamma 59.75848234000001
_sp... | data_image0
_chemical_formula_structural Mn2V3SbP6O24Li
_chemical_formula_sum "Mn2 V3 Sb1 P6 O24 Li1"
_cell_length_a 8.72948468
_cell_length_b 8.72948468
_cell_length_c 8.72948441
_cell_angle_alpha 59.75848674
_cell_angle_beta 59.75848674
_cell_angle_gamma 59.7584823400000... |
InsertBetweenAtomsAction | b7899d75-c965-4831-a9e5-e1ff53e84472 | mp-30156 | Insert a Cs atom in the line between atoms at indices 11 and 0, and the inserted atom must be 0.42 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li4Mg4N4
_chemical_formula_sum "Li4 Mg4 N4"
_cell_length_a 3.48231532
_cell_length_b 4.9830527
_cell_length_c 7.11871738
_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 Li4Mg4N4Cs
_chemical_formula_sum "Li4 Mg4 N4 Cs1"
_cell_length_a 3.48231532
_cell_length_b 4.9830527
_cell_length_c 7.11871738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | b3b47c0b-3c06-445a-8853-b0543409ec5d | mp-676210 | Insert a Br atom in the line between atoms at indices 6 and 9, and the inserted atom must be 1.87 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li4Ti4Cl12
_chemical_formula_sum "Li4 Ti4 Cl12"
_cell_length_a 7.44327449
_cell_length_b 7.44327449
_cell_length_c 12.345259959999998
_cell_angle_alpha 71.52505696
_cell_angle_beta 71.52505696
_cell_angle_gamma 57.46468224
_space_g... | data_image0
_chemical_formula_structural Li4Ti4Cl12Br
_chemical_formula_sum "Li4 Ti4 Cl12 Br1"
_cell_length_a 7.44327449
_cell_length_b 7.44327449
_cell_length_c 12.345259959999998
_cell_angle_alpha 71.52505696
_cell_angle_beta 71.52505696
_cell_angle_gamma 57.46468224
_s... |
InsertBetweenAtomsAction | 18a46536-e083-4894-9fbb-30aa4963b411 | mp-1213236 | Insert a Es atom in the line between atoms at indices 33 and 70, and the inserted atom must be 3.34 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural La4P12O56
_chemical_formula_sum "La4 P12 O56"
_cell_length_a 7.027589
_cell_length_b 13.07274
_cell_length_c 13.706809
_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 La4P12O56Es
_chemical_formula_sum "La4 P12 O56 Es1"
_cell_length_a 7.027589
_cell_length_b 13.07274
_cell_length_c 13.706809
_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 | 79645fcf-9243-48d5-91f3-497224098ca1 | mp-571288 | Insert a Nd atom in the line between atoms at indices 2 and 1, and the inserted atom must be 3.27 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... | data_image0
_chemical_formula_structural K2Ta2Ag4Se8Nd
_chemical_formula_sum "K2 Ta2 Ag4 Se8 Nd1"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_... |
InsertBetweenAtomsAction | 721fd87b-9cbc-453b-b376-71ead91b4564 | mp-2713621 | Insert a P atom in the line between atoms at indices 4 and 27, and the inserted atom must be 4.41 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48P
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P5 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90... |
InsertBetweenAtomsAction | 1eee5d65-c703-4071-ad20-114cbb96da3b | mp-27741 | Insert a Mn atom in the line between atoms at indices 3 and 11, and the inserted atom must be 3.45 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te4Au4I4Mn
_chemical_formula_sum "Te4 Au4 I4 Mn1"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-... |
InsertBetweenAtomsAction | 7918ff4e-7363-440f-a8c0-e657319a5254 | mp-1016342 | Insert a Mg atom in the line between atoms at indices 4 and 1, and the inserted atom must be 1.83 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 Sr2Mg12Sb2Mg
_chemical_formula_sum "Sr2 Mg13 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 | de0613b6-1589-4ad4-a85c-e0c28977b043 | mp-561248 | Insert a Sr atom in the line between atoms at indices 11 and 23, and the inserted atom must be 1.68 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_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 Sm8Cu8Te8S8Sr
_chemical_formula_sum "Sm8 Cu8 Te8 S8 Sr1"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 284c39d1-7185-4a6a-afd6-6b8d7a8f481c | mp-1178123 | Insert a Tc atom in the line between atoms at indices 10 and 2, and the inserted atom must be 1.36 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li4Co8O16
_chemical_formula_sum "Li4 Co8 O16"
_cell_length_a 5.72944164
_cell_length_b 5.729441639999999
_cell_length_c 9.404251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.87882780999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Li4Co8O16Tc
_chemical_formula_sum "Li4 Co8 O16 Tc1"
_cell_length_a 5.72944164
_cell_length_b 5.729441639999999
_cell_length_c 9.404251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.87882780999999
_space_group_n... |
InsertBetweenAtomsAction | 1be3d80a-315d-4946-8aee-0916687bd8c8 | mp-2232163 | Insert a Cm atom in the line between atoms at indices 13 and 5, and the inserted atom must be 2.01 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural MgFe2S2O8F2
_chemical_formula_sum "Mg1 Fe2 S2 O8 F2"
_cell_length_a 5.43255704
_cell_length_b 5.43448225
_cell_length_c 7.72976369
_cell_angle_alpha 68.54836201
_cell_angle_beta 72.66019112000001
_cell_angle_gamma 91.96954964000001
... | data_image0
_chemical_formula_structural MgFe2S2O8F2Cm
_chemical_formula_sum "Mg1 Fe2 S2 O8 F2 Cm1"
_cell_length_a 5.43255704
_cell_length_b 5.43448225
_cell_length_c 7.72976369
_cell_angle_alpha 68.54836201
_cell_angle_beta 72.66019112000001
_cell_angle_gamma 91.969549640... |
InsertBetweenAtomsAction | 295b60d5-af26-47d9-8833-5dd9b944082b | mp-2218162 | Insert a Zn atom in the line between atoms at indices 0 and 4, and the inserted atom must be 2.59 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... | data_image0
_chemical_formula_structural MgNbBi3O7Zn
_chemical_formula_sum "Mg1 Nb1 Bi3 O7 Zn1"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 6... |
InsertBetweenAtomsAction | 4c62f2c3-23bf-4f33-9ed1-133e053a5b2b | mp-2227447 | Insert a Mn atom in the line between atoms at indices 5 and 3, and the inserted atom must be 0.71 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural MgMn3HO6
_chemical_formula_sum "Mg1 Mn3 H1 O6"
_cell_length_a 3.00975532
_cell_length_b 5.20196557
_cell_length_c 7.42103346
_cell_angle_alpha 92.90304337
_cell_angle_beta 101.50906820000002
_cell_angle_gamma 89.93480920999998
_spa... | data_image0
_chemical_formula_structural MgMn3HO6Mn
_chemical_formula_sum "Mg1 Mn4 H1 O6"
_cell_length_a 3.00975532
_cell_length_b 5.20196557
_cell_length_c 7.42103346
_cell_angle_alpha 92.90304337
_cell_angle_beta 101.50906820000002
_cell_angle_gamma 89.93480920999998
_s... |
InsertBetweenAtomsAction | 41f40539-4d4a-4a50-971f-83e7f815d5e2 | mp-757417 | Insert a No atom in the line between atoms at indices 5 and 7, and the inserted atom must be 2.65 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3NiP4O16
_chemical_formula_sum "Li4 Mn3 Ni1 P4 O16"
_cell_length_a 6.101448
_cell_length_b 4.768228
_cell_length_c 10.43285751
_cell_angle_alpha 89.89808202999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li4Mn3NiP4O16No
_chemical_formula_sum "Li4 Mn3 Ni1 P4 O16 No1"
_cell_length_a 6.101448
_cell_length_b 4.768228
_cell_length_c 10.43285751
_cell_angle_alpha 89.89808202999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
InsertBetweenAtomsAction | 34fd38d2-c682-4865-9443-3ffd3fd20355 | mp-1182309 | Insert a Mt atom in the line between atoms at indices 0 and 13, and the inserted atom must be 0.48 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ca2B4O20
_chemical_formula_sum "Ca2 B4 O20"
_cell_length_a 8.50278134
_cell_length_b 8.50278134
_cell_length_c 8.857175189999998
_cell_angle_alpha 70.68163003
_cell_angle_beta 70.68163003
_cell_angle_gamma 42.86706253999999
_space_... | data_image0
_chemical_formula_structural Ca2B4O20Mt
_chemical_formula_sum "Ca2 B4 O20 Mt1"
_cell_length_a 8.50278134
_cell_length_b 8.50278134
_cell_length_c 8.857175189999998
_cell_angle_alpha 70.68163003
_cell_angle_beta 70.68163003
_cell_angle_gamma 42.86706253999999
_... |
InsertBetweenAtomsAction | b1f9edbd-ac2e-49b5-8afb-680e552a5e57 | mp-2217709 | Insert a Sn atom in the line between atoms at indices 6 and 8, and the inserted atom must be 2.59 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgTiZnBi2O6Sn
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6 Sn1"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_nam... |
InsertBetweenAtomsAction | 87f8591c-5187-4045-ae32-335b36934699 | mp-755742 | Insert a Mt atom in the line between atoms at indices 7 and 3, and the inserted atom must be 0.93 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ho4Sb4O14
_chemical_formula_sum "Ho4 Sb4 O14"
_cell_length_a 7.53854295
_cell_length_b 7.53854295
_cell_length_c 7.53854295
_cell_angle_alpha 121.21490040999998
_cell_angle_beta 118.52242450000001
_cell_angle_gamma 90.2433866
_spac... | data_image0
_chemical_formula_structural Ho4Sb4O14Mt
_chemical_formula_sum "Ho4 Sb4 O14 Mt1"
_cell_length_a 7.53854295
_cell_length_b 7.53854295
_cell_length_c 7.53854295
_cell_angle_alpha 121.21490040999998
_cell_angle_beta 118.52242450000001
_cell_angle_gamma 90.2433866
... |
InsertBetweenAtomsAction | 150b2058-3451-4e94-a6ad-45919a3caaa9 | mp-729312 | Insert a Li atom in the line between atoms at indices 28 and 17, and the inserted atom must be 0.71 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural K8In4Br20O4
_chemical_formula_sum "K8 In4 Br20 O4"
_cell_length_a 8.351858
_cell_length_b 10.76391
_cell_length_c 13.275205
_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 K8In4Br20O4Li
_chemical_formula_sum "K8 In4 Br20 O4 Li1"
_cell_length_a 8.351858
_cell_length_b 10.76391
_cell_length_c 13.275205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | bf80dee8-a858-4dc3-857c-1374ab6a3a93 | mp-770481 | Insert a V atom in the line between atoms at indices 18 and 13, and the inserted atom must be 4.42 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta9PO25V
_chemical_formula_sum "Ta9 P1 O25 V1"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_... |
InsertBetweenAtomsAction | f2220192-a81a-48be-9001-02973b89b54c | mp-24598 | Insert a No atom in the line between atoms at indices 36 and 65, and the inserted atom must be 1.84 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40No
_chemical_formula_sum "Ba4 V4 P8 H16 O40 No1"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | f5650b56-442b-4f74-9e61-1d0d677d63ba | mp-762633 | Insert a Fr atom in the line between atoms at indices 3 and 2, and the inserted atom must be 2.02 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... | data_image0
_chemical_formula_structural LiMn2NiO6Fr
_chemical_formula_sum "Li1 Mn2 Ni1 O6 Fr1"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_sp... |
InsertBetweenAtomsAction | aed9893f-f8c7-4436-9133-7fe853ecc837 | mp-1174239 | Insert a Rh atom in the line between atoms at indices 10 and 17, and the inserted atom must be 1.75 angstrom from atom at 10 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 Li8Co6O14Rh
_chemical_formula_sum "Li8 Co6 O14 Rh1"
_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 | bad016b6-41e0-4bb9-a7d5-3f0bd274887b | mp-772861 | Insert a Ne atom in the line between atoms at indices 10 and 30, and the inserted atom must be 5.33 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ba4Sr8I24
_chemical_formula_sum "Ba4 Sr8 I24"
_cell_length_a 8.170479
_cell_length_b 8.170479
_cell_length_c 24.566283
_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 Ba4Sr8I24Ne
_chemical_formula_sum "Ba4 Sr8 I24 Ne1"
_cell_length_a 8.170479
_cell_length_b 8.170479
_cell_length_c 24.566283
_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 | aa20e29b-25a2-4250-aca1-c28c9f883f02 | mp-753328 | Insert a S atom in the line between atoms at indices 17 and 13, and the inserted atom must be 1.99 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li5Mn3Co2O10
_chemical_formula_sum "Li5 Mn3 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_grou... | data_image0
_chemical_formula_structural Li5Mn3Co2O10S
_chemical_formula_sum "Li5 Mn3 Co2 O10 S1"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_... |
InsertBetweenAtomsAction | 02554ded-f058-4d91-9d96-cc35d784b79c | mp-1207972 | Insert a Ti atom in the line between atoms at indices 0 and 4, and the inserted atom must be 1.16 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural U4Ti6Ge8
_chemical_formula_sum "U4 Ti6 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural U4Ti6Ge8Ti
_chemical_formula_sum "U4 Ti7 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 7d3d4520-c36c-4339-9af7-79860702dfad | mp-650121 | Insert a La atom in the line between atoms at indices 16 and 29, and the inserted atom must be 2.10 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li12Se6O24La
_chemical_formula_sum "Li12 Se6 O24 La1"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_gro... |
InsertBetweenAtomsAction | 4c42f18c-6a55-4857-b0f9-2a118a5d106f | mp-13602 | Insert a P atom in the line between atoms at indices 2 and 48, and the inserted atom must be 2.60 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd12As8O32P
_chemical_formula_sum "Cd12 As8 O32 P1"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 2ba2ca31-15e8-466b-915d-df997defa6a3 | mp-1223550 | Insert a Nb atom in the line between atoms at indices 2 and 12, and the inserted atom must be 0.61 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural KP4N3O16
_chemical_formula_sum "K1 P4 N3 O16"
_cell_length_a 7.898002
_cell_length_b 7.898002
_cell_length_c 7.512958
_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 KP4N3O16Nb
_chemical_formula_sum "K1 P4 N3 O16 Nb1"
_cell_length_a 7.898002
_cell_length_b 7.898002
_cell_length_c 7.512958
_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 | b202bf1b-b717-45cb-b56e-b5c2b810185a | mp-763659 | Insert a Po atom in the line between atoms at indices 1 and 0, and the inserted atom must be 1.53 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3V2Fe2O8Po
_chemical_formula_sum "Li3 V2 Fe2 O8 Po1"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
... |
InsertBetweenAtomsAction | b5312899-f082-49fa-9836-f51bad9f5c67 | mp-1044237 | Insert a Y atom in the line between atoms at indices 32 and 7, and the inserted atom must be 3.56 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Ca2Ti2V2P6O24
_chemical_formula_sum "Ca2 Ti2 V2 P6 O24"
_cell_length_a 8.87059187
_cell_length_b 8.87059173
_cell_length_c 8.87059125
_cell_angle_alpha 58.46360295
_cell_angle_beta 58.46360429
_cell_angle_gamma 58.4636058
_space_gr... | data_image0
_chemical_formula_structural Ca2Ti2V2P6O24Y
_chemical_formula_sum "Ca2 Ti2 V2 P6 O24 Y1"
_cell_length_a 8.87059187
_cell_length_b 8.87059173
_cell_length_c 8.87059125
_cell_angle_alpha 58.46360295
_cell_angle_beta 58.46360429
_cell_angle_gamma 58.4636058
_spac... |
InsertBetweenAtomsAction | 0d533291-3839-45a2-8a17-6a1c27d6960a | mp-28179 | Insert a Cn atom in the line between atoms at indices 30 and 24, and the inserted atom must be 4.83 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta4Cl24Cn
_chemical_formula_sum "Na4 Ta4 Cl24 Cn1"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 2d762047-4fae-481b-9706-1c5948e42432 | mp-1235350 | Insert a Lv atom in the line between atoms at indices 21 and 3, and the inserted atom must be 3.83 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Rb4LiSe4O14
_chemical_formula_sum "Rb4 Li1 Se4 O14"
_cell_length_a 7.7815658
_cell_length_b 8.46016297
_cell_length_c 8.069522730000001
_cell_angle_alpha 93.73619673
_cell_angle_beta 86.21764356
_cell_angle_gamma 60.13418853999999
... | data_image0
_chemical_formula_structural Rb4LiSe4O14Lv
_chemical_formula_sum "Rb4 Li1 Se4 O14 Lv1"
_cell_length_a 7.7815658
_cell_length_b 8.46016297
_cell_length_c 8.069522730000001
_cell_angle_alpha 93.73619673
_cell_angle_beta 86.21764356
_cell_angle_gamma 60.1341885399... |
InsertBetweenAtomsAction | e7597522-048e-4d14-ac04-59da41c4b9ab | mp-1228441 | Insert a Mo atom in the line between atoms at indices 0 and 32, and the inserted atom must be 0.84 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba7Hg31Mo
_chemical_formula_sum "Ba7 Hg31 Mo1"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M... |
InsertBetweenAtomsAction | 57ae4630-0707-4eb2-896e-c59b15cb1024 | mp-1214242 | Insert a Mg atom in the line between atoms at indices 40 and 26, and the inserted atom must be 2.09 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Be6Ag8P6Br2O24
_chemical_formula_sum "Be6 Ag8 P6 Br2 O24"
_cell_length_a 8.63032
_cell_length_b 8.63032
_cell_length_c 8.63032
_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 Be6Ag8P6Br2O24Mg
_chemical_formula_sum "Be6 Ag8 P6 Br2 O24 Mg1"
_cell_length_a 8.63032
_cell_length_b 8.63032
_cell_length_c 8.63032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 97048178-373f-4f3d-ac07-dddf624b219f | mp-1047887 | Insert a No atom in the line between atoms at indices 31 and 33, and the inserted atom must be 4.42 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Mg2Co6P6O26
_chemical_formula_sum "Mg2 Co6 P6 O26"
_cell_length_a 6.28561
_cell_length_b 7.520573
_cell_length_c 10.0473253
_cell_angle_alpha 79.61009721
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mg2Co6P6O26No
_chemical_formula_sum "Mg2 Co6 P6 O26 No1"
_cell_length_a 6.28561
_cell_length_b 7.520573
_cell_length_c 10.0473253
_cell_angle_alpha 79.61009721
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 81839513-3efe-4325-aa3b-70f62db11e09 | mp-1113640 | Insert a Yb atom in the line between atoms at indices 6 and 4, and the inserted atom must be 1.78 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Rb2SmAuCl6
_chemical_formula_sum "Rb2 Sm1 Au1 Cl6"
_cell_length_a 7.70197677
_cell_length_b 7.701976770000001
_cell_length_c 7.701976769999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rb2SmAuCl6Yb
_chemical_formula_sum "Rb2 Sm1 Au1 Cl6 Yb1"
_cell_length_a 7.70197677
_cell_length_b 7.701976770000001
_cell_length_c 7.701976769999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_ga... |
InsertBetweenAtomsAction | 27980009-7416-4890-bfbf-6d8303d7368b | mp-780727 | Insert a Eu atom in the line between atoms at indices 17 and 6, and the inserted atom must be 1.54 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li4V3Cr2O10
_chemical_formula_sum "Li4 V3 Cr2 O10"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space_gr... | data_image0
_chemical_formula_structural Li4V3Cr2O10Eu
_chemical_formula_sum "Li4 V3 Cr2 O10 Eu1"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_sp... |
InsertBetweenAtomsAction | 6891dd67-e6a0-49ff-9f79-a5345e482a03 | mp-1207697 | Insert a Th atom in the line between atoms at indices 6 and 7, and the inserted atom must be 5.50 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CuF6Th
_chemical_formula_sum "Zr3 Cu1 F6 Th1"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_... |
InsertBetweenAtomsAction | 6e2a35a3-793a-4938-9e62-8b18f4f37ecf | mp-1176342 | Insert a Lr atom in the line between atoms at indices 16 and 15, and the inserted atom must be 2.72 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na6V6O16Lr
_chemical_formula_sum "Na6 V6 O16 Lr1"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_nam... |
InsertBetweenAtomsAction | 61656540-524f-42b3-b30b-d56148059436 | mp-561176 | Insert a Lr atom in the line between atoms at indices 42 and 29, and the inserted atom must be 8.60 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb8P4O4F52Lr
_chemical_formula_sum "Sb8 P4 O4 F52 Lr1"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 3a8ccf2e-32d9-4c22-a649-a1076828b751 | mp-28802 | Insert a Ca atom in the line between atoms at indices 5 and 20, and the inserted atom must be 0.72 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sr4Zn3F14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_grou... | data_image0
_chemical_formula_structural Sr4Zn3F14Ca
_chemical_formula_sum "Sr4 Zn3 F14 Ca1"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_spac... |
InsertBetweenAtomsAction | a25a8ce7-889c-48e2-94a7-52ed79ec0252 | mp-754011 | Insert a Am atom in the line between atoms at indices 18 and 17, and the inserted atom must be 0.79 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li2Bi6O12
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 93.14... | data_image0
_chemical_formula_structural Li2Bi6O12Am
_chemical_formula_sum "Li2 Bi6 O12 Am1"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 28c48694-d063-424f-b0af-607d3dc73ad2 | mp-1227935 | Insert a Np atom in the line between atoms at indices 26 and 29, and the inserted atom must be 1.11 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Ca20Si3Ge9O44
_chemical_formula_sum "Ca20 Si3 Ge9 O44"
_cell_length_a 7.01949952
_cell_length_b 13.62135502
_cell_length_c 12.53445101
_cell_angle_alpha 64.77673551
_cell_angle_beta 92.28420985000001
_cell_angle_gamma 79.31438136
_... | data_image0
_chemical_formula_structural Ca20Si3Ge9O44Np
_chemical_formula_sum "Ca20 Si3 Ge9 O44 Np1"
_cell_length_a 7.01949952
_cell_length_b 13.62135502
_cell_length_c 12.53445101
_cell_angle_alpha 64.77673551
_cell_angle_beta 92.28420985000001
_cell_angle_gamma 79.31438... |
InsertBetweenAtomsAction | fcfc67e1-e94d-4daa-8060-e3389621c902 | mp-767140 | Insert a Hf atom in the line between atoms at indices 16 and 7, and the inserted atom must be 5.41 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Sn8P8O28
_chemical_formula_sum "Sn8 P8 O28"
_cell_length_a 6.986132
_cell_length_b 7.04389705
_cell_length_c 13.017652370000002
_cell_angle_alpha 83.33325966
_cell_angle_beta 89.96986367
_cell_angle_gamma 89.99300467
_space_group_n... | data_image0
_chemical_formula_structural Sn8P8O28Hf
_chemical_formula_sum "Sn8 P8 O28 Hf1"
_cell_length_a 6.986132
_cell_length_b 7.04389705
_cell_length_c 13.017652370000002
_cell_angle_alpha 83.33325966
_cell_angle_beta 89.96986367
_cell_angle_gamma 89.99300467
_space_g... |
InsertBetweenAtomsAction | 921a6cda-1552-4c93-9b2c-a16485270016 | mp-753160 | Insert a Li atom in the line between atoms at indices 3 and 0, and the inserted atom must be 4.64 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Bi4O4F4
_chemical_formula_sum "Bi4 O4 F4"
_cell_length_a 3.791646
_cell_length_b 6.376568
_cell_length_c 7.388758
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Bi4O4F4Li
_chemical_formula_sum "Bi4 O4 F4 Li1"
_cell_length_a 3.791646
_cell_length_b 6.376568
_cell_length_c 7.388758
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
InsertBetweenAtomsAction | 2ef2e642-5c01-409e-a227-9536caee4283 | mp-1212060 | Insert a As atom in the line between atoms at indices 5 and 13, and the inserted atom must be 1.22 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural In4Pb8F28
_chemical_formula_sum "In4 Pb8 F28"
_cell_length_a 12.44457357
_cell_length_b 5.59001845
_cell_length_c 8.4130136
_cell_angle_alpha 89.64555741
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural In4Pb8F28As
_chemical_formula_sum "In4 Pb8 F28 As1"
_cell_length_a 12.44457357
_cell_length_b 5.59001845
_cell_length_c 8.4130136
_cell_angle_alpha 89.64555741
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 36174578-bd55-4a7d-a568-f14ed27381b5 | mp-729907 | Insert a Fr atom in the line between atoms at indices 74 and 13, and the inserted atom must be 1.09 angstrom from atom at 74 in the cif file. | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... | data_image0
_chemical_formula_structural NiH48C16S8N2O14Fr
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14 Fr1"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gam... |
InsertBetweenAtomsAction | cf962f98-3688-4053-96c1-b6bf245ceeeb | mp-1208177 | Insert a Ag atom in the line between atoms at indices 3 and 5, and the inserted atom must be 0.49 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U8Co2Ag
_chemical_formula_sum "U8 Co2 Ag1"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
InsertBetweenAtomsAction | 21948d76-9335-4027-b672-192d9d16033c | mp-1213447 | Insert a Mc atom in the line between atoms at indices 2 and 25, and the inserted atom must be 5.62 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2Mc
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2 Mc1"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 79904567-ee93-4437-96e6-395289353db1 | mp-1173638 | Insert a Te atom in the line between atoms at indices 17 and 4, and the inserted atom must be 2.04 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O20Te
_chemical_formula_sum "Sr10 Cu1 Ru4 O20 Te1"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | e50c2d0b-57d7-45f8-a428-9439ffd7e02f | mp-1192446 | Insert a Mn atom in the line between atoms at indices 9 and 27, and the inserted atom must be 0.87 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Pb4Se2N4O18
_chemical_formula_sum "Pb4 Se2 N4 O18"
_cell_length_a 5.48916173
_cell_length_b 7.2929014
_cell_length_c 10.31421434
_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 Pb4Se2N4O18Mn
_chemical_formula_sum "Pb4 Se2 N4 O18 Mn1"
_cell_length_a 5.48916173
_cell_length_b 7.2929014
_cell_length_c 10.31421434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 1fb12b4c-d52f-446a-bc3c-06c1971a5769 | mp-1200874 | Insert a Am atom in the line between atoms at indices 18 and 17, and the inserted atom must be 2.50 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Ce16Mg8Ni16
_chemical_formula_sum "Ce16 Mg8 Ni16"
_cell_length_a 7.569322
_cell_length_b 10.421412
_cell_length_c 10.424190230000002
_cell_angle_alpha 87.24409627999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ce16Mg8Ni16Am
_chemical_formula_sum "Ce16 Mg8 Ni16 Am1"
_cell_length_a 7.569322
_cell_length_b 10.421412
_cell_length_c 10.424190230000002
_cell_angle_alpha 87.24409627999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | dae68b25-019d-430f-b34a-d0644ff7e532 | mp-1080534 | Insert a Tm atom in the line between atoms at indices 8 and 1, and the inserted atom must be 1.25 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Cs2Li3I5
_chemical_formula_sum "Cs2 Li3 I5"
_cell_length_a 4.71841827
_cell_length_b 8.73774837
_cell_length_c 10.83985247
_cell_angle_alpha 67.29995139
_cell_angle_beta 77.41023237
_cell_angle_gamma 74.39038752
_space_group_name_H... | data_image0
_chemical_formula_structural Cs2Li3I5Tm
_chemical_formula_sum "Cs2 Li3 I5 Tm1"
_cell_length_a 4.71841827
_cell_length_b 8.73774837
_cell_length_c 10.83985247
_cell_angle_alpha 67.29995139
_cell_angle_beta 77.41023237
_cell_angle_gamma 74.39038752
_space_group_... |
InsertBetweenAtomsAction | 56294891-4f90-429d-b2c5-3538116a9d81 | mp-1211020 | Insert a V atom in the line between atoms at indices 7 and 70, and the inserted atom must be 1.21 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li4Ga4P16O48
_chemical_formula_sum "Li4 Ga4 P16 O48"
_cell_length_a 8.383566
_cell_length_b 9.205698
_cell_length_c 12.690747
_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 Li4Ga4P16O48V
_chemical_formula_sum "Li4 Ga4 P16 O48 V1"
_cell_length_a 8.383566
_cell_length_b 9.205698
_cell_length_c 12.690747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | e7b38a2f-8b45-487b-afc8-888693c20724 | mp-1204112 | Insert a Sr atom in the line between atoms at indices 6 and 33, and the inserted atom must be 4.37 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12Sr
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12 Sr1"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
InsertBetweenAtomsAction | 691697d3-211e-4234-8de8-ef436103afcd | mp-1177498 | Insert a Ni atom in the line between atoms at indices 18 and 25, and the inserted atom must be 2.22 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li6V4P8H4O32
_chemical_formula_sum "Li6 V4 P8 H4 O32"
_cell_length_a 9.45768122
_cell_length_b 9.39833587
_cell_length_c 7.90360836
_cell_angle_alpha 78.64358395
_cell_angle_beta 78.66118834
_cell_angle_gamma 117.71818503999998
_sp... | data_image0
_chemical_formula_structural Li6V4P8H4O32Ni
_chemical_formula_sum "Li6 V4 P8 H4 O32 Ni1"
_cell_length_a 9.45768122
_cell_length_b 9.39833587
_cell_length_c 7.90360836
_cell_angle_alpha 78.64358395
_cell_angle_beta 78.66118834
_cell_angle_gamma 117.7181850399999... |
InsertBetweenAtomsAction | 82e37fff-ce96-42a5-bf61-97f2a6d02d15 | mp-769928 | Insert a Bi atom in the line between atoms at indices 11 and 6, and the inserted atom must be 17.80 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8Bi
_chemical_formula_sum "Li4 Nb1 V3 O8 Bi1"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044... |
InsertBetweenAtomsAction | 063cfe0e-2e66-4eca-b722-a7ff379b8a48 | mp-1192578 | Insert a No atom in the line between atoms at indices 24 and 26, and the inserted atom must be 4.42 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... | data_image0
_chemical_formula_structural K2Ca4USi4O16No
_chemical_formula_sum "K2 Ca4 U1 Si4 O16 No1"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087... |
InsertBetweenAtomsAction | d453554d-4564-4a13-a642-3f5cd99a0daa | mp-1029771 | Insert a Lr atom in the line between atoms at indices 1 and 20, and the inserted atom must be 5.09 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12Lr
_chemical_formula_sum "Ca8 Re4 N12 Lr1"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.52523426000001... |
InsertBetweenAtomsAction | 4afcc96b-32a8-4a17-90d1-7705bb4cf2fe | mp-765581 | Insert a Sg atom in the line between atoms at indices 17 and 20, and the inserted atom must be 4.38 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Mn8Cr4O16
_chemical_formula_sum "Mn8 Cr4 O16"
_cell_length_a 5.93782624
_cell_length_b 5.96423125
_cell_length_c 10.364558189999999
_cell_angle_alpha 75.44831521
_cell_angle_beta 74.33033313
_cell_angle_gamma 61.358565629999994
_sp... | data_image0
_chemical_formula_structural Mn8Cr4O16Sg
_chemical_formula_sum "Mn8 Cr4 O16 Sg1"
_cell_length_a 5.93782624
_cell_length_b 5.96423125
_cell_length_c 10.364558189999999
_cell_angle_alpha 75.44831521
_cell_angle_beta 74.33033313
_cell_angle_gamma 61.35856562999999... |
InsertBetweenAtomsAction | bd15008e-30af-4d28-975c-7b998efa9470 | mp-531566 | Insert a Ce atom in the line between atoms at indices 53 and 47, and the inserted atom must be 3.62 angstrom from atom at 53 in the cif file. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn14O48Ce
_chemical_formula_sum "La16 Mn14 O48 Ce1"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
... |
InsertBetweenAtomsAction | f8c22d3c-74bc-4bd7-a103-265942bb55c2 | mp-1198143 | Insert a O atom in the line between atoms at indices 41 and 35, and the inserted atom must be 1.19 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Ca4B8H40O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 Ca4B8H40O5
_chemical_formula_sum "Ca4 B8 H40 O5"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 | 843fd44f-22f2-4693-b7f8-bea303b7d6cb | mp-24473 | Insert a Ti atom in the line between atoms at indices 16 and 26, and the inserted atom must be 1.48 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be4P4H16N4O16Ti
_chemical_formula_sum "Be4 P4 H16 N4 O16 Ti1"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | cb33f263-f9e6-4f73-9d95-114638097942 | mp-1079383 | Insert a Pt atom in the line between atoms at indices 9 and 5, and the inserted atom must be 7.55 angstrom from atom at 9 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 Ce4In2Cu4Pt
_chemical_formula_sum "Ce4 In2 Cu4 Pt1"
_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 | 68e5a237-43a7-40d2-a696-5af2a6bbd8ec | mp-763831 | Insert a W atom in the line between atoms at indices 29 and 13, and the inserted atom must be 2.33 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Li16Mn2O8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li16Mn2O8F4W
_chemical_formula_sum "Li16 Mn2 O8 F4 W1"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_... |
InsertBetweenAtomsAction | 926a6a73-f111-4c11-82f4-d962485f8ec7 | mp-1177049 | Insert a Ce atom in the line between atoms at indices 39 and 38, and the inserted atom must be 0.85 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... | data_image0
_chemical_formula_structural Li6Co3NiP6O24Ce
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24 Ce1"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_sp... |
InsertBetweenAtomsAction | 660df525-663c-4bbf-a0e8-74107771adb2 | mp-8829 | Insert a Og atom in the line between atoms at indices 2 and 10, and the inserted atom must be 2.06 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cr4Ga4Se12Og
_chemical_formula_sum "Cr4 Ga4 Se12 Og1"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 0d708415-8d89-48e9-ab78-21b9566ca92d | mp-1227095 | Insert a S atom in the line between atoms at indices 5 and 11, and the inserted atom must be 1.21 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ca2Pd2F8
_chemical_formula_sum "Ca2 Pd2 F8"
_cell_length_a 5.531275
_cell_length_b 5.521787
_cell_length_c 5.5594698
_cell_angle_alpha 87.76431318999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca2Pd2F8S
_chemical_formula_sum "Ca2 Pd2 F8 S1"
_cell_length_a 5.531275
_cell_length_b 5.521787
_cell_length_c 5.5594698
_cell_angle_alpha 87.76431318999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 4b373306-0436-4c30-93d7-dddcacad35c9 | mp-1212808 | Insert a Ac atom in the line between atoms at indices 2 and 6, and the inserted atom must be 4.09 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural Dy8Rh2Ac
_chemical_formula_sum "Dy8 Rh2 Ac1"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
InsertBetweenAtomsAction | ec058ada-4239-429f-9960-f88166d26698 | mp-557871 | Insert a Ta atom in the line between atoms at indices 8 and 4, and the inserted atom must be 1.63 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... | data_image0
_chemical_formula_structural Cu2As2Pb2O8Ta
_chemical_formula_sum "Cu2 As2 Pb2 O8 Ta1"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_sp... |
InsertBetweenAtomsAction | 8383e60d-13ad-40fb-a779-11f717454ccb | mp-849277 | Insert a Cd atom in the line between atoms at indices 27 and 35, and the inserted atom must be 5.50 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li4Cu2P6H4O20
_chemical_formula_sum "Li4 Cu2 P6 H4 O20"
_cell_length_a 7.32518
_cell_length_b 7.64629812
_cell_length_c 8.23532196
_cell_angle_alpha 71.38916824999998
_cell_angle_beta 73.79031742000001
_cell_angle_gamma 71.49767689
... | data_image0
_chemical_formula_structural Li4Cu2P6H4O20Cd
_chemical_formula_sum "Li4 Cu2 P6 H4 O20 Cd1"
_cell_length_a 7.32518
_cell_length_b 7.64629812
_cell_length_c 8.23532196
_cell_angle_alpha 71.38916824999998
_cell_angle_beta 73.79031742000001
_cell_angle_gamma 71.497... |
InsertBetweenAtomsAction | 22978c70-1f30-41dc-a9f3-339ce6e47150 | mp-1208371 | Insert a Np atom in the line between atoms at indices 34 and 30, and the inserted atom must be 1.35 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl20O4Np
_chemical_formula_sum "Tl4 N8 Cl20 O4 Np1"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | a31a2443-5459-40e8-9256-69d1c1b22356 | mp-758720 | Insert a K atom in the line between atoms at indices 10 and 1, and the inserted atom must be 0.91 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li5CuF6
_chemical_formula_sum "Li5 Cu1 F6"
_cell_length_a 5.13729529
_cell_length_b 5.13729529
_cell_length_c 5.14646913
_cell_angle_alpha 79.89385741999999
_cell_angle_beta 79.89385741999999
_cell_angle_gamma 119.62825862999999
_s... | data_image0
_chemical_formula_structural Li5CuF6K
_chemical_formula_sum "Li5 Cu1 F6 K1"
_cell_length_a 5.13729529
_cell_length_b 5.13729529
_cell_length_c 5.14646913
_cell_angle_alpha 79.89385741999999
_cell_angle_beta 79.89385741999999
_cell_angle_gamma 119.62825862999999... |
InsertBetweenAtomsAction | f9bd394c-1aa9-4499-8469-d75ebcbe7ec2 | mp-1193386 | Insert a Ds atom in the line between atoms at indices 0 and 15, and the inserted atom must be 1.87 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Na2Cr4Fe2O20
_chemical_formula_sum "Na2 Cr4 Fe2 O20"
_cell_length_a 7.64650728
_cell_length_b 7.646507280000001
_cell_length_c 10.72818916
_cell_angle_alpha 72.14267351
_cell_angle_beta 72.14267351
_cell_angle_gamma 42.55578317
_sp... | data_image0
_chemical_formula_structural Na2Cr4Fe2O20Ds
_chemical_formula_sum "Na2 Cr4 Fe2 O20 Ds1"
_cell_length_a 7.64650728
_cell_length_b 7.646507280000001
_cell_length_c 10.72818916
_cell_angle_alpha 72.14267351
_cell_angle_beta 72.14267351
_cell_angle_gamma 42.5557831... |
InsertBetweenAtomsAction | 593a792f-5b66-448b-945f-3ebef4ef74fd | mp-1223717 | Insert a Cu atom in the line between atoms at indices 22 and 19, and the inserted atom must be 7.30 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural K2Al6Si6H4O24Cu
_chemical_formula_sum "K2 Al6 Si6 H4 O24 Cu1"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 11... |
InsertBetweenAtomsAction | 9ad54353-eeb9-4538-acad-a7f1de68a427 | mp-754373 | Insert a Sm atom in the line between atoms at indices 7 and 15, and the inserted atom must be 0.36 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.55700601
_cell_length_b 6.13466597
_cell_length_c 11.146433
_cell_angle_alpha 90.00189661
_cell_angle_beta 90.00002052999999
_cell_angle_gamma 116.93787587
_space_group... | data_image0
_chemical_formula_structural Na8Fe4O12Sm
_chemical_formula_sum "Na8 Fe4 O12 Sm1"
_cell_length_a 5.55700601
_cell_length_b 6.13466597
_cell_length_c 11.146433
_cell_angle_alpha 90.00189661
_cell_angle_beta 90.00002052999999
_cell_angle_gamma 116.93787587
_space... |
InsertBetweenAtomsAction | 6e8ae036-71e4-44b4-a2a9-e0481c12ef80 | mp-1046426 | Insert a Db atom in the line between atoms at indices 17 and 14, and the inserted atom must be 2.64 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16Db
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16 Db1"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_ga... |
InsertBetweenAtomsAction | 8636fab5-41fb-424c-888d-582d230a4b21 | mp-27271 | Insert a Co atom in the line between atoms at indices 33 and 38, and the inserted atom must be 5.85 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... | data_image0
_chemical_formula_structural Tl16Ge10O28Co
_chemical_formula_sum "Tl16 Ge10 O28 Co1"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma ... |
InsertBetweenAtomsAction | ec5a2cd2-4f1c-4345-8db5-864db86c1443 | mp-762830 | Insert a Ge atom in the line between atoms at indices 1 and 14, and the inserted atom must be 1.74 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Nb3V3O16
_chemical_formula_sum "Li4 Mn2 Nb3 V3 O16"
_cell_length_a 6.10565883
_cell_length_b 6.10565883
_cell_length_c 10.070974429999998
_cell_angle_alpha 89.93972260999999
_cell_angle_beta 89.93972260999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Li4Mn2Nb3V3O16Ge
_chemical_formula_sum "Li4 Mn2 Nb3 V3 O16 Ge1"
_cell_length_a 6.10565883
_cell_length_b 6.10565883
_cell_length_c 10.070974429999998
_cell_angle_alpha 89.93972260999999
_cell_angle_beta 89.93972260999999
_cell_angle_ga... |
InsertBetweenAtomsAction | 9d7a679b-17bb-4d3c-8daf-21554f74c2df | mp-1188770 | Insert a As atom in the line between atoms at indices 1 and 9, and the inserted atom must be 0.59 angstrom from atom at 1 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 Er12Co4As
_chemical_formula_sum "Er12 Co4 As1"
_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_gr... |
InsertBetweenAtomsAction | 55ecbf8b-e89b-4e1a-8ded-36aa600f7ff0 | mp-1197150 | Insert a Ni atom in the line between atoms at indices 3 and 35, and the inserted atom must be 0.53 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4Pr16Ge16
_chemical_formula_sum "Li4 Pr16 Ge16"
_cell_length_a 7.50027
_cell_length_b 8.07524
_cell_length_c 15.348187
_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 Li4Pr16Ge16Ni
_chemical_formula_sum "Li4 Pr16 Ge16 Ni1"
_cell_length_a 7.50027
_cell_length_b 8.07524
_cell_length_c 15.348187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | b8540ddb-9e42-4108-98f8-c329b022a8e1 | mp-1078203 | Insert a Po atom in the line between atoms at indices 2 and 5, and the inserted atom must be 1.32 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Cs2Tl2F6
_chemical_formula_sum "Cs2 Tl2 F6"
_cell_length_a 6.759903
_cell_length_b 6.759903
_cell_length_c 6.759903
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_g... | data_image0
_chemical_formula_structural Cs2Tl2F6Po
_chemical_formula_sum "Cs2 Tl2 F6 Po1"
_cell_length_a 6.759903
_cell_length_b 6.759903
_cell_length_c 6.759903
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... |
InsertBetweenAtomsAction | c28cdce8-3070-4b9f-84ad-d928dc3282c0 | mp-28092 | Insert a Tl atom in the line between atoms at indices 88 and 29, and the inserted atom must be 7.39 angstrom from atom at 88 in the cif file. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2Tl
_chemical_formula_sum "B40 H52 O2 Tl1"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_grou... |
InsertBetweenAtomsAction | 87d97acd-fbd9-4a17-ac90-7160f0c56c52 | mp-1192809 | Insert a Ac atom in the line between atoms at indices 3 and 19, and the inserted atom must be 0.58 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N12O12Ac
_chemical_formula_sum "Ag4 N12 O12 Ac1"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 | 30d78529-cca4-4d01-af09-bcc9136dfd92 | mp-651997 | Insert a Cs atom in the line between atoms at indices 45 and 1, and the inserted atom must be 0.81 angstrom from atom at 45 in the cif file. | data_image0
_chemical_formula_structural Fe12Ge8O32
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe12Ge8O32Cs
_chemical_formula_sum "Fe12 Ge8 O32 Cs1"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 311e889a-4838-427f-a00b-829d9ebadef1 | mp-1207697 | Insert a H atom in the line between atoms at indices 0 and 2, and the inserted atom must be 6.52 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CuF6H
_chemical_formula_sum "Zr3 Cu1 F6 H1"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_na... |
InsertBetweenAtomsAction | 5527584e-f665-4f93-94d4-05b07784196b | mp-758762 | Insert a Zn atom in the line between atoms at indices 2 and 25, and the inserted atom must be 2.93 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4P8O28
_chemical_formula_sum "Li4 Fe4 P8 O28"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Fe4P8O28Zn
_chemical_formula_sum "Li4 Fe4 P8 O28 Zn1"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | de518a9e-673d-4c04-a9d2-92530a1a5a0a | mp-1236434 | Insert a Os atom in the line between atoms at indices 13 and 4, and the inserted atom must be 1.18 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4Os
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4 Os1"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.... |
InsertBetweenAtomsAction | df4f1b0f-3ba9-48ec-bd79-f20016aad8de | mp-1206879 | Insert a K atom in the line between atoms at indices 0 and 8, and the inserted atom must be 0.76 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural K3AuF6K
_chemical_formula_sum "K4 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gr... |
InsertBetweenAtomsAction | 288056e5-c665-41ba-a16f-a49c83bf4c4e | mp-1194493 | Insert a Ge atom in the line between atoms at indices 16 and 20, and the inserted atom must be 1.71 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Pt2S4N2O18
_chemical_formula_sum "Pt2 S4 N2 O18"
_cell_length_a 7.662609
_cell_length_b 7.73074764
_cell_length_c 7.821315860000001
_cell_angle_alpha 102.54818267
_cell_angle_beta 110.26241689
_cell_angle_gamma 100.5395611
_space_g... | data_image0
_chemical_formula_structural Pt2S4N2O18Ge
_chemical_formula_sum "Pt2 S4 N2 O18 Ge1"
_cell_length_a 7.662609
_cell_length_b 7.73074764
_cell_length_c 7.821315860000001
_cell_angle_alpha 102.54818267
_cell_angle_beta 110.26241689
_cell_angle_gamma 100.5395611
_s... |
InsertBetweenAtomsAction | a3ff7fb6-8d4f-4931-a6f1-04a2ed67166c | mp-729187 | Insert a Ba atom in the line between atoms at indices 81 and 91, and the inserted atom must be 4.09 angstrom from atom at 81 in the cif file. | data_image0
_chemical_formula_structural Zn8C16N64O4
_chemical_formula_sum "Zn8 C16 N64 O4"
_cell_length_a 7.115686
_cell_length_b 11.577172
_cell_length_c 22.51136357
_cell_angle_alpha 82.36418529
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zn8C16N64O4Ba
_chemical_formula_sum "Zn8 C16 N64 O4 Ba1"
_cell_length_a 7.115686
_cell_length_b 11.577172
_cell_length_c 22.51136357
_cell_angle_alpha 82.36418529
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
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