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 | de4bb41e-7313-4dfe-8fb8-1c6ab3e22a34 | mp-1100889 | Insert a S atom in the line between atoms at indices 15 and 16, and the inserted atom must be 4.71 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Y6B6O14S
_chemical_formula_sum "Y6 B6 O14 S1"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7f5f949c-05aa-494a-9963-cbc13c15f9fe | mp-530449 | Insert a Ir atom in the line between atoms at indices 24 and 4, and the inserted atom must be 8.21 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca21As14O56Ir
_chemical_formula_sum "Ca21 As14 O56 Ir1"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_g... |
InsertBetweenAtomsAction | 3c1d021e-a83e-4247-b1e1-2eef4c656846 | mp-1392236 | Insert a Nb atom in the line between atoms at indices 11 and 4, and the inserted atom must be 1.91 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Mg2V2P2O10
_chemical_formula_sum "Mg2 V2 P2 O10"
_cell_length_a 5.306659
_cell_length_b 5.45143155
_cell_length_c 7.04879895
_cell_angle_alpha 105.51309762000001
_cell_angle_beta 104.48203936
_cell_angle_gamma 101.23646009
_space_g... | data_image0
_chemical_formula_structural Mg2V2P2O10Nb
_chemical_formula_sum "Mg2 V2 P2 O10 Nb1"
_cell_length_a 5.306659
_cell_length_b 5.45143155
_cell_length_c 7.04879895
_cell_angle_alpha 105.51309762000001
_cell_angle_beta 104.48203936
_cell_angle_gamma 101.23646009
_s... |
InsertBetweenAtomsAction | 8c44ec90-bec6-4b83-96ea-fcdef4451a99 | mp-5214 | Insert a Re atom in the line between atoms at indices 39 and 5, and the inserted atom must be 0.53 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... | data_image0
_chemical_formula_structural Ti4Te12O32Re
_chemical_formula_sum "Ti4 Te12 O32 Re1"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_g... |
InsertBetweenAtomsAction | 82ff8b1d-d2e3-456d-bace-29889f2a5d7b | mp-1189409 | Insert a Li atom in the line between atoms at indices 5 and 10, and the inserted atom must be 1.46 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Tb10Si6B2
_chemical_formula_sum "Tb10 Si6 B2"
_cell_length_a 8.59632043
_cell_length_b 8.59632043
_cell_length_c 6.377204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000334
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Tb10Si6B2Li
_chemical_formula_sum "Tb10 Si6 B2 Li1"
_cell_length_a 8.59632043
_cell_length_b 8.59632043
_cell_length_c 6.377204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000334
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 70cdd540-3845-4e0b-98d8-1f35eb592472 | mp-1207606 | Insert a At atom in the line between atoms at indices 17 and 3, and the inserted atom must be 0.89 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural YFe3B4O12
_chemical_formula_sum "Y1 Fe3 B4 O12"
_cell_length_a 6.12433214
_cell_length_b 6.124332140000001
_cell_length_c 6.12433292
_cell_angle_alpha 103.91920561999999
_cell_angle_beta 103.91920562
_cell_angle_gamma 103.91920774
... | data_image0
_chemical_formula_structural YFe3B4O12At
_chemical_formula_sum "Y1 Fe3 B4 O12 At1"
_cell_length_a 6.12433214
_cell_length_b 6.124332140000001
_cell_length_c 6.12433292
_cell_angle_alpha 103.91920561999999
_cell_angle_beta 103.91920562
_cell_angle_gamma 103.9192... |
InsertBetweenAtomsAction | 33f26e67-3896-458d-8409-77b97448fa97 | mp-2228450 | Insert a Yb atom in the line between atoms at indices 13 and 5, and the inserted atom must be 0.72 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O8Yb
_chemical_formula_sum "Mg1 Mn3 Cd2 O8 Yb1"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.5243589000... |
InsertBetweenAtomsAction | 2196ff3b-b244-4f96-8212-90564bf7a82f | mp-1193190 | Insert a Lu atom in the line between atoms at indices 18 and 24, and the inserted atom must be 3.02 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18Lu
_chemical_formula_sum "K4 Cr6 O18 Lu1"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 537a84a9-06a1-4c45-9f31-f6e09d3ee436 | mp-1037796 | Insert a Pt atom in the line between atoms at indices 49 and 53, and the inserted atom must be 3.18 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural CaMg30TiO32
_chemical_formula_sum "Ca1 Mg30 Ti1 O32"
_cell_length_a 8.583183
_cell_length_b 8.583183
_cell_length_c 8.578049
_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 CaMg30TiO32Pt
_chemical_formula_sum "Ca1 Mg30 Ti1 O32 Pt1"
_cell_length_a 8.583183
_cell_length_b 8.583183
_cell_length_c 8.578049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 357b3e98-7de3-4034-baeb-4bb3632f79f5 | mp-1213522 | Insert a In atom in the line between atoms at indices 11 and 97, and the inserted atom must be 4.24 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68In
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68 In1"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
InsertBetweenAtomsAction | d014e9bc-33f7-489d-8433-93e0ff781f2c | mp-25954 | Insert a Cl atom in the line between atoms at indices 9 and 20, and the inserted atom must be 1.88 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P6O24Cl
_chemical_formula_sum "Co6 P6 O24 Cl1"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 394db9e4-9baa-4fae-ac87-4dee08543615 | mp-15203 | Insert a Nh atom in the line between atoms at indices 74 and 7, and the inserted atom must be 8.34 angstrom from atom at 74 in the cif file. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6Nh
_chemical_formula_sum "Li12 Ca24 W8 N32 O6 Nh1"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angl... |
InsertBetweenAtomsAction | 973137bd-fd0b-4735-8b9a-b8684cd6ccf5 | mp-1238897 | Insert a Ts atom in the line between atoms at indices 20 and 15, and the inserted atom must be 6.38 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16Ts
_chemical_formula_sum "Ti4 Cr4 Ag4 S16 Ts1"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
... |
InsertBetweenAtomsAction | 6fb1333f-1917-4b5e-b974-b45a3b8e300b | mp-1182197 | Insert a Fm atom in the line between atoms at indices 5 and 17, and the inserted atom must be 3.13 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Nd4Mn4O12Fm
_chemical_formula_sum "Nd4 Mn4 O12 Fm1"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 8b740204-0967-4767-b301-2e07098443b3 | mp-2240397 | Insert a He atom in the line between atoms at indices 0 and 2, and the inserted atom must be 1.46 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... | data_image0
_chemical_formula_structural MgCd2Bi2O6He
_chemical_formula_sum "Mg1 Cd2 Bi2 O6 He1"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.9651... |
InsertBetweenAtomsAction | 1aa95577-3d5f-41ea-9382-5adafe8def49 | mp-38090 | Insert a Cn atom in the line between atoms at indices 14 and 35, and the inserted atom must be 1.49 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O24Cn
_chemical_formula_sum "Fe12 Cu6 O24 Cn1"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.097150769999... |
InsertBetweenAtomsAction | ee58fc50-ac01-478f-8047-94a9a28057bf | mp-758717 | Insert a Og atom in the line between atoms at indices 8 and 30, and the inserted atom must be 5.32 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Co4C8O24Og
_chemical_formula_sum "Li2 Co4 C8 O24 Og1"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | c10a64ba-9074-4c92-8328-43eea9083ac2 | mp-1227255 | Insert a P atom in the line between atoms at indices 7 and 4, and the inserted atom must be 1.50 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural CaCeV2O8
_chemical_formula_sum "Ca1 Ce1 V2 O8"
_cell_length_a 6.07941717
_cell_length_b 6.07941717
_cell_length_c 6.07941717
_cell_angle_alpha 106.24416571
_cell_angle_beta 106.24416571
_cell_angle_gamma 116.1381804
_space_group_na... | data_image0
_chemical_formula_structural CaCeV2O8P
_chemical_formula_sum "Ca1 Ce1 V2 O8 P1"
_cell_length_a 6.07941717
_cell_length_b 6.07941717
_cell_length_c 6.07941717
_cell_angle_alpha 106.24416571
_cell_angle_beta 106.24416571
_cell_angle_gamma 116.1381804
_space_grou... |
InsertBetweenAtomsAction | 85fa660e-738c-4551-8f26-4e7afec03e00 | mp-8597 | Insert a Sm atom in the line between atoms at indices 15 and 12, and the inserted atom must be 2.88 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Sc8B16C8
_chemical_formula_sum "Sc8 B16 C8"
_cell_length_a 6.645555
_cell_length_b 6.645555
_cell_length_c 6.792191
_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 Sc8B16C8Sm
_chemical_formula_sum "Sc8 B16 C8 Sm1"
_cell_length_a 6.645555
_cell_length_b 6.645555
_cell_length_c 6.792191
_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 | 97de3ac8-5b77-4f69-8c04-d29424105322 | mp-975336 | Insert a Np atom in the line between atoms at indices 7 and 9, and the inserted atom must be 0.80 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 K4C4S4N4Np
_chemical_formula_sum "K4 C4 S4 N4 Np1"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 | e76c4cde-6954-4d80-9aa4-4008483be6ce | mp-1200515 | Insert a Y atom in the line between atoms at indices 1 and 19, and the inserted atom must be 6.34 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... | data_image0
_chemical_formula_structural Tb20Si16Y
_chemical_formula_sum "Tb20 Si16 Y1"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_gro... |
InsertBetweenAtomsAction | d1badc34-62e2-453e-81be-18502a87c2ec | mp-25278 | Insert a Hs atom in the line between atoms at indices 13 and 15, and the inserted atom must be 2.91 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural V4S6O24
_chemical_formula_sum "V4 S6 O24"
_cell_length_a 7.71633737
_cell_length_b 7.71633737
_cell_length_c 8.66907844
_cell_angle_alpha 69.74449301
_cell_angle_beta 69.74449301
_cell_angle_gamma 64.83981922
_space_group_name_H-M_... | data_image0
_chemical_formula_structural V4S6O24Hs
_chemical_formula_sum "V4 S6 O24 Hs1"
_cell_length_a 7.71633737
_cell_length_b 7.71633737
_cell_length_c 8.66907844
_cell_angle_alpha 69.74449301
_cell_angle_beta 69.74449301
_cell_angle_gamma 64.83981922
_space_group_nam... |
InsertBetweenAtomsAction | ba98dd78-cfb3-47c3-acc0-350ae5ea12c5 | mp-1193266 | Insert a F atom in the line between atoms at indices 4 and 16, and the inserted atom must be 0.93 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4F
_chemical_formula_sum "Al2 H16 C6 N2 Cl4 F1"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.0884337... |
InsertBetweenAtomsAction | 1619e2ca-9ced-4aa2-a6f2-ff618947a0fd | mp-755587 | Insert a Ge atom in the line between atoms at indices 8 and 9, and the inserted atom must be 2.51 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural V4O6F2
_chemical_formula_sum "V4 O6 F2"
_cell_length_a 4.62679008
_cell_length_b 4.62679008
_cell_length_c 5.93686769
_cell_angle_alpha 89.99986978
_cell_angle_beta 90.00013022
_cell_angle_gamma 94.82482528
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V4O6F2Ge
_chemical_formula_sum "V4 O6 F2 Ge1"
_cell_length_a 4.62679008
_cell_length_b 4.62679008
_cell_length_c 5.93686769
_cell_angle_alpha 89.99986978
_cell_angle_beta 90.00013022
_cell_angle_gamma 94.82482528
_space_group_name_... |
InsertBetweenAtomsAction | f293aff0-901e-4c16-89e9-a96cf62632d1 | mp-1103272 | Insert a Pa atom in the line between atoms at indices 8 and 5, and the inserted atom must be 1.57 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Zr4Si4Ni4
_chemical_formula_sum "Zr4 Si4 Ni4"
_cell_length_a 3.79803846
_cell_length_b 6.46622311
_cell_length_c 7.25348711
_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 Zr4Si4Ni4Pa
_chemical_formula_sum "Zr4 Si4 Ni4 Pa1"
_cell_length_a 3.79803846
_cell_length_b 6.46622311
_cell_length_c 7.25348711
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 7ab5ab27-ef08-4505-b4fb-162ef12c6256 | mp-563041 | Insert a Fm atom in the line between atoms at indices 31 and 20, and the inserted atom must be 2.82 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural K2V6Cu10O26
_chemical_formula_sum "K2 V6 Cu10 O26"
_cell_length_a 6.151583
_cell_length_b 8.30599131
_cell_length_c 10.90224523
_cell_angle_alpha 97.90928123
_cell_angle_beta 92.74881973
_cell_angle_gamma 90.59062806
_space_group_n... | data_image0
_chemical_formula_structural K2V6Cu10O26Fm
_chemical_formula_sum "K2 V6 Cu10 O26 Fm1"
_cell_length_a 6.151583
_cell_length_b 8.30599131
_cell_length_c 10.90224523
_cell_angle_alpha 97.90928123
_cell_angle_beta 92.74881973
_cell_angle_gamma 90.59062806
_space_g... |
InsertBetweenAtomsAction | e2f0a7a7-a1cd-48a3-9b48-e0cc24b63029 | mp-866709 | Insert a V atom in the line between atoms at indices 14 and 7, and the inserted atom must be 0.49 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural K4Cr2H4F16
_chemical_formula_sum "K4 Cr2 H4 F16"
_cell_length_a 8.101164
_cell_length_b 5.348595
_cell_length_c 8.42657027
_cell_angle_alpha 87.32804317
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K4Cr2H4F16V
_chemical_formula_sum "K4 Cr2 H4 F16 V1"
_cell_length_a 8.101164
_cell_length_b 5.348595
_cell_length_c 8.42657027
_cell_angle_alpha 87.32804317
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | a2419a5d-fe0f-4cdf-9cc2-6bf84ee40c49 | mp-756511 | Insert a Pm atom in the line between atoms at indices 3 and 1, and the inserted atom must be 4.20 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4V4B4O16
_chemical_formula_sum "Li4 V4 B4 O16"
_cell_length_a 3.113953
_cell_length_b 9.087917
_cell_length_c 9.415044
_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 Li4V4B4O16Pm
_chemical_formula_sum "Li4 V4 B4 O16 Pm1"
_cell_length_a 3.113953
_cell_length_b 9.087917
_cell_length_c 9.415044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 92c81f38-8938-43c6-9262-15c0c93751f6 | mp-1195233 | Insert a Eu atom in the line between atoms at indices 74 and 87, and the inserted atom must be 7.61 angstrom from atom at 74 in the cif file. | data_image0
_chemical_formula_structural Al2Zn2B10H40C10N10O20
_chemical_formula_sum "Al2 Zn2 B10 H40 C10 N10 O20"
_cell_length_a 7.554322
_cell_length_b 9.3066998
_cell_length_c 13.97318333
_cell_angle_alpha 77.59534267
_cell_angle_beta 76.60262579
_cell_angle_gamma 68.03... | data_image0
_chemical_formula_structural Al2Zn2B10H40C10N10O20Eu
_chemical_formula_sum "Al2 Zn2 B10 H40 C10 N10 O20 Eu1"
_cell_length_a 7.554322
_cell_length_b 9.3066998
_cell_length_c 13.97318333
_cell_angle_alpha 77.59534267
_cell_angle_beta 76.60262579
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 7cbe7d76-1c41-4957-9148-44eb295adb22 | mp-3855 | Insert a Na atom in the line between atoms at indices 20 and 9, and the inserted atom must be 1.94 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Be4F16Na
_chemical_formula_sum "Na9 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | f581aa1c-fa32-4806-8967-c07405e17de2 | mp-771123 | Insert a Nb atom in the line between atoms at indices 19 and 17, and the inserted atom must be 2.65 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sc6Fe6O18Nb
_chemical_formula_sum "Sc6 Fe6 O18 Nb1"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-... |
InsertBetweenAtomsAction | 1420992c-05a7-4a0c-be1e-cdf708c59077 | mp-673347 | Insert a Pr atom in the line between atoms at indices 10 and 7, and the inserted atom must be 0.54 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4H4O12Pr
_chemical_formula_sum "Nb4 H4 O12 Pr1"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_n... |
InsertBetweenAtomsAction | fd912b05-5016-48ab-9fb4-7db141619e87 | mp-1214900 | Insert a I atom in the line between atoms at indices 65 and 44, and the inserted atom must be 6.00 angstrom from atom at 65 in the cif file. | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural B4C48Cl4F40I
_chemical_formula_sum "B4 C48 Cl4 F40 I1"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
InsertBetweenAtomsAction | 5187bc2d-f8ae-4d8d-82aa-5a91e856e33c | mp-1247313 | Insert a Kr atom in the line between atoms at indices 17 and 18, and the inserted atom must be 1.93 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12Kr
_chemical_formula_sum "Zn16 Ag4 N12 Kr1"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_s... |
InsertBetweenAtomsAction | 75e5e75a-13ad-49c3-8526-b01985a61579 | mp-584637 | Insert a Pd atom in the line between atoms at indices 21 and 8, and the inserted atom must be 4.30 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Cr2P6O18
_chemical_formula_sum "Cr2 P6 O18"
_cell_length_a 6.61072228
_cell_length_b 6.610690540000001
_cell_length_c 9.672113889999999
_cell_angle_alpha 90.16251924
_cell_angle_beta 90.16212703
_cell_angle_gamma 60.09514252999999
... | data_image0
_chemical_formula_structural Cr2P6O18Pd
_chemical_formula_sum "Cr2 P6 O18 Pd1"
_cell_length_a 6.61072228
_cell_length_b 6.610690540000001
_cell_length_c 9.672113889999999
_cell_angle_alpha 90.16251924
_cell_angle_beta 90.16212703
_cell_angle_gamma 60.0951425299... |
InsertBetweenAtomsAction | dc9ed9a5-e32c-4455-85cf-0d66c12bbbf9 | mp-1224658 | Insert a Xe atom in the line between atoms at indices 37 and 38, and the inserted atom must be 1.20 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho4Fe34C2Xe
_chemical_formula_sum "Ho4 Fe34 C2 Xe1"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 59227076-ad96-4af5-b2a8-2e153ff47f75 | mp-1102237 | Insert a Sr atom in the line between atoms at indices 5 and 7, and the inserted atom must be 2.41 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Lu2Ga8Fe
_chemical_formula_sum "Lu2 Ga8 Fe1"
_cell_length_a 4.246767
_cell_length_b 4.246767
_cell_length_c 10.958662
_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 Lu2Ga8FeSr
_chemical_formula_sum "Lu2 Ga8 Fe1 Sr1"
_cell_length_a 4.246767
_cell_length_b 4.246767
_cell_length_c 10.958662
_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 | 172b6dad-81f9-48a2-a138-a5da321df05b | mp-769018 | Insert a Dy atom in the line between atoms at indices 4 and 50, and the inserted atom must be 4.84 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48Dy
_chemical_formula_sum "Li4 Fe8 S12 O48 Dy1"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | f9b036cf-babb-4cb7-9ddd-28891843b267 | mp-1193362 | Insert a Pu atom in the line between atoms at indices 20 and 25, and the inserted atom must be 1.01 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ce12Se12N4
_chemical_formula_sum "Ce12 Se12 N4"
_cell_length_a 4.18293152
_cell_length_b 12.8179042
_cell_length_c 13.46158808
_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 Ce12Se12N4Pu
_chemical_formula_sum "Ce12 Se12 N4 Pu1"
_cell_length_a 4.18293152
_cell_length_b 12.8179042
_cell_length_c 13.46158808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 4387c4b2-2f9a-40d6-a04f-f6cd4d833c6e | mp-1227612 | Insert a Hg atom in the line between atoms at indices 20 and 68, and the inserted atom must be 4.95 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... | data_image0
_chemical_formula_structural La18In10Se42Hg
_chemical_formula_sum "La18 In10 Se42 Hg1"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094... |
InsertBetweenAtomsAction | 823ffced-aca2-44e3-bd3e-ee189e66c34e | mp-757196 | Insert a Bi atom in the line between atoms at indices 21 and 16, and the inserted atom must be 4.03 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... | data_image0
_chemical_formula_structural Hg4W4O14Bi
_chemical_formula_sum "Hg4 W4 O14 Bi1"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_gr... |
InsertBetweenAtomsAction | 7a170886-e9d1-4606-ba0e-48afec961c71 | mp-1191504 | Insert a Al atom in the line between atoms at indices 4 and 5, and the inserted atom must be 1.48 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Fe2S4N2O16Al
_chemical_formula_sum "Fe2 S4 N2 O16 Al1"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 30e7db09-f29d-4d25-aa72-bc23f3aa2167 | mp-771953 | Insert a Rg atom in the line between atoms at indices 8 and 21, and the inserted atom must be 0.46 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16Rg
_chemical_formula_sum "Li4 Nb2 Ni6 O16 Rg1"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-... |
InsertBetweenAtomsAction | fcce58b0-ea7d-46f1-a944-8f02e56fb1f8 | mp-603241 | Insert a Rb atom in the line between atoms at indices 16 and 45, and the inserted atom must be 0.42 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe4Si16O40Rb
_chemical_formula_sum "Ba4 Fe4 Si16 O40 Rb1"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.9998... |
InsertBetweenAtomsAction | ac9c81dc-e015-42cc-a5f6-016256fe44cc | mp-755663 | Insert a Nd atom in the line between atoms at indices 3 and 15, and the inserted atom must be 3.81 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O14Nd
_chemical_formula_sum "Ta4 Pb4 O14 Nd1"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_... |
InsertBetweenAtomsAction | 11a4e3ba-4e6a-4726-85b1-b693b12f3473 | mp-1644899 | Insert a Al atom in the line between atoms at indices 7 and 3, and the inserted atom must be 1.86 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24Al
_chemical_formula_sum "Li6 V4 C8 O24 Al1"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_g... |
InsertBetweenAtomsAction | 84d0adcb-a906-4a9a-be2f-9c9d2711ce6d | mp-731799 | Insert a Fl atom in the line between atoms at indices 7 and 25, and the inserted atom must be 0.90 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... | data_image0
_chemical_formula_structural Mg12C6Cl6O36Fl
_chemical_formula_sum "Mg12 C6 Cl6 O36 Fl1"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698... |
InsertBetweenAtomsAction | c90d976a-6a5c-4be5-b49b-f50f5311ca7b | mp-1233509 | Insert a Cn atom in the line between atoms at indices 2 and 18, and the inserted atom must be 1.07 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural CaSm4Tm4O12Cn
_chemical_formula_sum "Ca1 Sm4 Tm4 O12 Cn1"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 83fda7d8-3836-4e2d-b8e6-ba28c8a15708 | mp-2230445 | Insert a Tl atom in the line between atoms at indices 6 and 1, and the inserted atom must be 0.78 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural MgMn6O7F5
_chemical_formula_sum "Mg1 Mn6 O7 F5"
_cell_length_a 5.1158998
_cell_length_b 7.606077739999999
_cell_length_c 5.84774966
_cell_angle_alpha 94.61415666
_cell_angle_beta 83.67986341
_cell_angle_gamma 93.05168575
_space_gro... | data_image0
_chemical_formula_structural MgMn6O7F5Tl
_chemical_formula_sum "Mg1 Mn6 O7 F5 Tl1"
_cell_length_a 5.1158998
_cell_length_b 7.606077739999999
_cell_length_c 5.84774966
_cell_angle_alpha 94.61415666
_cell_angle_beta 83.67986341
_cell_angle_gamma 93.05168575
_spa... |
InsertBetweenAtomsAction | 8632e54f-0c92-4c54-98b7-2fc066cf81a5 | mp-1033378 | Insert a Fr atom in the line between atoms at indices 0 and 2, and the inserted atom must be 1.45 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_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 Mg6CrBiO8Fr
_chemical_formula_sum "Mg6 Cr1 Bi1 O8 Fr1"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | c5d6927a-aebc-49fa-bbb1-0b852e7e3f11 | mp-555231 | Insert a In atom in the line between atoms at indices 20 and 24, and the inserted atom must be 0.68 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ba6Bi4P8O32
_chemical_formula_sum "Ba6 Bi4 P8 O32"
_cell_length_a 11.31972441
_cell_length_b 11.31972441
_cell_length_c 8.859109460000003
_cell_angle_alpha 71.80341612
_cell_angle_beta 71.80341612
_cell_angle_gamma 46.15737832999998... | data_image0
_chemical_formula_structural Ba6Bi4P8O32In
_chemical_formula_sum "Ba6 Bi4 P8 O32 In1"
_cell_length_a 11.31972441
_cell_length_b 11.31972441
_cell_length_c 8.859109460000003
_cell_angle_alpha 71.80341612
_cell_angle_beta 71.80341612
_cell_angle_gamma 46.15737832... |
InsertBetweenAtomsAction | 34da8df9-ff70-42ee-ab9a-c575b6d706b3 | mp-1175381 | Insert a Yb atom in the line between atoms at indices 16 and 24, and the inserted atom must be 0.92 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... | data_image0
_chemical_formula_structural Li9Co7O16Yb
_chemical_formula_sum "Li9 Co7 O16 Yb1"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_spa... |
InsertBetweenAtomsAction | 2b739b7a-e338-45bd-9840-0f9a009f96e6 | mp-1523289 | Insert a Lu atom in the line between atoms at indices 7 and 2, and the inserted atom must be 2.44 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O12Lu
_chemical_formula_sum "Ba1 Ca1 Sn4 O12 Lu1"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_g... |
InsertBetweenAtomsAction | e22b260a-9984-4ec2-9db0-764150443d68 | mp-607917 | Insert a Te atom in the line between atoms at indices 19 and 31, and the inserted atom must be 4.81 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12Te
_chemical_formula_sum "La21 Fe8 Sn7 C12 Te1"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gam... |
InsertBetweenAtomsAction | 270ffd91-1455-47a3-b805-76a8ea2ea14c | mp-759596 | Insert a P atom in the line between atoms at indices 6 and 5, and the inserted atom must be 9.07 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li4Bi4P8O28
_chemical_formula_sum "Li4 Bi4 P8 O28"
_cell_length_a 5.614483
_cell_length_b 8.909416
_cell_length_c 14.112306079999998
_cell_angle_alpha 59.75628626999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Li4Bi4P8O28P
_chemical_formula_sum "Li4 Bi4 P9 O28"
_cell_length_a 5.614483
_cell_length_b 8.909416
_cell_length_c 14.112306079999998
_cell_angle_alpha 59.75628626999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | cbe1500e-62bf-447a-807a-4466a7ee6c67 | mp-1207656 | Insert a Lu atom in the line between atoms at indices 5 and 18, and the inserted atom must be 6.10 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4Pt4F28Lu
_chemical_formula_sum "Y4 Pt4 F28 Lu1"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 041727dd-5e22-4e99-abba-aefdd4524f84 | mp-1227411 | Insert a I atom in the line between atoms at indices 14 and 19, and the inserted atom must be 0.96 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12I
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12 I1"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.9996614... |
InsertBetweenAtomsAction | fb428440-38f1-4410-a2bb-3105252558d6 | mp-1111394 | Insert a Ge atom in the line between atoms at indices 9 and 4, and the inserted atom must be 1.51 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural CsRb2IrF6Ge
_chemical_formula_sum "Cs1 Rb2 Ir1 F6 Ge1"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | 85eda393-2c72-46aa-83bc-0923746d28e9 | mp-30902 | Insert a Ga atom in the line between atoms at indices 10 and 1, and the inserted atom must be 1.38 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Er4Ru4O14
_chemical_formula_sum "Er4 Ru4 O14"
_cell_length_a 7.187319
_cell_length_b 7.187319
_cell_length_c 7.187318999999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Er4Ru4O14Ga
_chemical_formula_sum "Er4 Ru4 O14 Ga1"
_cell_length_a 7.187319
_cell_length_b 7.187319
_cell_length_c 7.187318999999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | 9089ed10-93f4-46fe-8bf1-3e521e9f0f08 | mp-772438 | Insert a As atom in the line between atoms at indices 15 and 34, and the inserted atom must be 6.44 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li8Co8P8O32
_chemical_formula_sum "Li8 Co8 P8 O32"
_cell_length_a 10.70056
_cell_length_b 5.706775
_cell_length_c 9.91070808
_cell_angle_alpha 88.30664252999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li8Co8P8O32As
_chemical_formula_sum "Li8 Co8 P8 O32 As1"
_cell_length_a 10.70056
_cell_length_b 5.706775
_cell_length_c 9.91070808
_cell_angle_alpha 88.30664252999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 8aaeb373-f202-4522-8555-83cb1b422abe | mp-1209996 | Insert a Bi atom in the line between atoms at indices 1 and 10, and the inserted atom must be 1.03 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Nd4Mo4O8
_chemical_formula_sum "Nd4 Mo4 O8"
_cell_length_a 7.63330738
_cell_length_b 7.63330738
_cell_length_c 7.63330738
_cell_angle_alpha 129.93531083
_cell_angle_beta 129.93531083
_cell_angle_gamma 73.51020212
_space_group_name_... | data_image0
_chemical_formula_structural Nd4Mo4O8Bi
_chemical_formula_sum "Nd4 Mo4 O8 Bi1"
_cell_length_a 7.63330738
_cell_length_b 7.63330738
_cell_length_c 7.63330738
_cell_angle_alpha 129.93531083
_cell_angle_beta 129.93531083
_cell_angle_gamma 73.51020212
_space_group... |
InsertBetweenAtomsAction | e171fc87-364d-4ef0-b7bc-cb2f2bf72622 | mp-1239200 | Insert a Tl atom in the line between atoms at indices 35 and 16, and the inserted atom must be 3.50 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 Na8Cr16S32Tl
_chemical_formula_sum "Na8 Cr16 S32 Tl1"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 8b8c669c-70bb-4634-aa94-4579bd565a9e | mp-1110899 | Insert a Ga atom in the line between atoms at indices 6 and 8, and the inserted atom must be 2.28 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6Ga
_chemical_formula_sum "K2 Li1 Sb1 Br6 Ga1"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.... |
InsertBetweenAtomsAction | 973a1c60-7bc3-4f9a-b08e-2132d1aeb301 | mp-760242 | Insert a Ho atom in the line between atoms at indices 3 and 1, and the inserted atom must be 2.50 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.401869
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876045999999
_cell_angle_gamma 112.17030088
_space_grou... | data_image0
_chemical_formula_structural Li2V2O2F8Ho
_chemical_formula_sum "Li2 V2 O2 F8 Ho1"
_cell_length_a 5.401869
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876045999999
_cell_angle_gamma 112.17030088
_spac... |
InsertBetweenAtomsAction | 27d9b07b-7a87-4ccd-ac4d-529377f5a269 | mp-767720 | Insert a Ac atom in the line between atoms at indices 4 and 19, and the inserted atom must be 7.06 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li4V8Si8O26
_chemical_formula_sum "Li4 V8 Si8 O26"
_cell_length_a 6.939269
_cell_length_b 8.01079086
_cell_length_c 10.37522651
_cell_angle_alpha 67.56335181999998
_cell_angle_beta 80.59947301
_cell_angle_gamma 77.53752448
_space_g... | data_image0
_chemical_formula_structural Li4V8Si8O26Ac
_chemical_formula_sum "Li4 V8 Si8 O26 Ac1"
_cell_length_a 6.939269
_cell_length_b 8.01079086
_cell_length_c 10.37522651
_cell_angle_alpha 67.56335181999998
_cell_angle_beta 80.59947301
_cell_angle_gamma 77.53752448
_s... |
InsertBetweenAtomsAction | 5b13697d-9494-42b3-89d7-d45c7f8a9fbd | mp-560925 | Insert a Cu atom in the line between atoms at indices 5 and 40, and the inserted atom must be 3.17 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Na10Fe6F28
_chemical_formula_sum "Na10 Fe6 F28"
_cell_length_a 7.428808
_cell_length_b 7.528727
_cell_length_c 12.87864626
_cell_angle_alpha 55.22259577
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Na10Fe6F28Cu
_chemical_formula_sum "Na10 Fe6 F28 Cu1"
_cell_length_a 7.428808
_cell_length_b 7.528727
_cell_length_c 12.87864626
_cell_angle_alpha 55.22259577
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7562349b-dc8b-4f99-a5de-8d0be1b5d6e2 | mp-1221912 | Insert a Nd atom in the line between atoms at indices 12 and 9, and the inserted atom must be 8.71 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrGa3S8Nd
_chemical_formula_sum "Mn2 Cr1 Ga3 S8 Nd1"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.8660445500000... |
InsertBetweenAtomsAction | c7fce4bd-8338-4857-a7ac-0a4a82da28af | mp-1223870 | Insert a Rh atom in the line between atoms at indices 7 and 2, and the inserted atom must be 3.77 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Hf4Al6Pd2
_chemical_formula_sum "Hf4 Al6 Pd2"
_cell_length_a 5.29472706
_cell_length_b 5.29472706
_cell_length_c 8.31552766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000427000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Hf4Al6Pd2Rh
_chemical_formula_sum "Hf4 Al6 Pd2 Rh1"
_cell_length_a 5.29472706
_cell_length_b 5.29472706
_cell_length_c 8.31552766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000427000002
_space_group_name_H... |
InsertBetweenAtomsAction | 2de1d17a-f6eb-4945-8b2d-cf410d64bf60 | mp-8876 | Insert a Ba atom in the line between atoms at indices 15 and 0, and the inserted atom must be 2.63 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ca4Al6SO12Ba
_chemical_formula_sum "Ca4 Al6 S1 O12 Ba1"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
InsertBetweenAtomsAction | 32d7d834-e486-4fe2-82d3-2aeabd643442 | mp-1180875 | Insert a Ts atom in the line between atoms at indices 19 and 24, and the inserted atom must be 1.09 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Mn2N12O32
_chemical_formula_sum "Mn2 N12 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2N12O32Ts
_chemical_formula_sum "Mn2 N12 O32 Ts1"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2144c41b-199d-45ac-a463-28fdc748510b | mp-1204905 | Insert a Ir atom in the line between atoms at indices 18 and 0, and the inserted atom must be 1.16 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Y4Al6Co28
_chemical_formula_sum "Y4 Al6 Co28"
_cell_length_a 8.3658884
_cell_length_b 8.3658884
_cell_length_c 8.173345
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000032
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Y4Al6Co28Ir
_chemical_formula_sum "Y4 Al6 Co28 Ir1"
_cell_length_a 8.3658884
_cell_length_b 8.3658884
_cell_length_c 8.173345
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000032
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | ca0427fd-75cd-4740-8543-8169bc67acae | mp-1305320 | Insert a Te atom in the line between atoms at indices 3 and 14, and the inserted atom must be 1.45 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li16Co2O10F2
_chemical_formula_sum "Li16 Co2 O10 F2"
_cell_length_a 5.29848206
_cell_length_b 10.55721191
_cell_length_c 5.43920368
_cell_angle_alpha 104.69546631
_cell_angle_beta 65.38784396
_cell_angle_gamma 92.99284474
_space_gr... | data_image0
_chemical_formula_structural Li16Co2O10F2Te
_chemical_formula_sum "Li16 Co2 O10 F2 Te1"
_cell_length_a 5.29848206
_cell_length_b 10.55721191
_cell_length_c 5.43920368
_cell_angle_alpha 104.69546631
_cell_angle_beta 65.38784396
_cell_angle_gamma 92.99284474
_sp... |
InsertBetweenAtomsAction | f609548f-7597-4994-b1f7-b1f487dbe038 | mp-1113545 | Insert a H atom in the line between atoms at indices 9 and 3, and the inserted atom must be 6.43 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Rb2HgAsI6
_chemical_formula_sum "Rb2 Hg1 As1 I6"
_cell_length_a 8.49309349
_cell_length_b 8.49309349
_cell_length_c 8.49309349
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2HgAsI6H
_chemical_formula_sum "Rb2 Hg1 As1 I6 H1"
_cell_length_a 8.49309349
_cell_length_b 8.49309349
_cell_length_c 8.49309349
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
InsertBetweenAtomsAction | 5edb7b8f-f2e8-4666-afd5-25c1203c5191 | mp-776358 | Insert a Mo atom in the line between atoms at indices 40 and 39, and the inserted atom must be 5.16 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... | data_image0
_chemical_formula_structural Li8Mn4C8S2O32Mo
_chemical_formula_sum "Li8 Mn4 C8 S2 O32 Mo1"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.... |
InsertBetweenAtomsAction | 0f6dc131-f8af-431c-8482-49e10b0fcbee | mp-26721 | Insert a Ba atom in the line between atoms at indices 2 and 12, and the inserted atom must be 2.66 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li4Nb2P4O16
_chemical_formula_sum "Li4 Nb2 P4 O16"
_cell_length_a 5.147372
_cell_length_b 7.732942250000001
_cell_length_c 8.169266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.86321496
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Nb2P4O16Ba
_chemical_formula_sum "Li4 Nb2 P4 O16 Ba1"
_cell_length_a 5.147372
_cell_length_b 7.732942250000001
_cell_length_c 8.169266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.86321496
_space_group_name_... |
InsertBetweenAtomsAction | e646ef12-5c3f-4a7a-8dbc-144da2c50516 | mp-1197552 | Insert a Rg atom in the line between atoms at indices 20 and 23, and the inserted atom must be 1.17 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_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 U8Pb4Se20Rg
_chemical_formula_sum "U8 Pb4 Se20 Rg1"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_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 | efc50eae-381e-4983-bb8d-ea710d7be740 | mp-861986 | Insert a Pd atom in the line between atoms at indices 8 and 10, and the inserted atom must be 3.23 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Pr10Al4Ru6Pd
_chemical_formula_sum "Pr10 Al4 Ru6 Pd1"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_... |
InsertBetweenAtomsAction | 1582f1e5-ee2b-4082-bff2-50ab05600651 | mp-1355331 | Insert a Na atom in the line between atoms at indices 4 and 28, and the inserted atom must be 1.42 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Sr6H10Os4O16
_chemical_formula_sum "Sr6 H10 Os4 O16"
_cell_length_a 5.877961
_cell_length_b 9.943458519999998
_cell_length_c 10.79790845
_cell_angle_alpha 116.61953445
_cell_angle_beta 87.11798931999999
_cell_angle_gamma 106.6839357... | data_image0
_chemical_formula_structural Sr6H10Os4O16Na
_chemical_formula_sum "Sr6 H10 Os4 O16 Na1"
_cell_length_a 5.877961
_cell_length_b 9.943458519999998
_cell_length_c 10.79790845
_cell_angle_alpha 116.61953445
_cell_angle_beta 87.11798931999999
_cell_angle_gamma 106.6... |
InsertBetweenAtomsAction | b738698f-b2ae-41c9-8f5d-349746aeeadd | mp-756284 | Insert a Mc atom in the line between atoms at indices 20 and 0, and the inserted atom must be 2.01 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12Mc
_chemical_formula_sum "Li4 Co4 B4 O12 Mc1"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
... |
InsertBetweenAtomsAction | 2f2e8fd4-5a92-41de-80d0-63508f88df08 | mp-1202862 | Insert a Te atom in the line between atoms at indices 17 and 3, and the inserted atom must be 3.75 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Co4S12N12O8Te
_chemical_formula_sum "Co4 S12 N12 O8 Te1"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 366d3f53-4f4e-429f-b2fc-6fdd981ea2a3 | mp-1209468 | Insert a Gd atom in the line between atoms at indices 3 and 2, and the inserted atom must be 1.99 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Pr8Rh2
_chemical_formula_sum "Pr8 Rh2"
_cell_length_a 7.95426398
_cell_length_b 7.95426398
_cell_length_c 7.95426398
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Pr8Rh2Gd
_chemical_formula_sum "Pr8 Rh2 Gd1"
_cell_length_a 7.95426398
_cell_length_b 7.95426398
_cell_length_c 7.95426398
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
InsertBetweenAtomsAction | cd13ea10-485b-494b-9fdc-ba91dd833077 | mp-1207687 | Insert a P atom in the line between atoms at indices 14 and 16, and the inserted atom must be 0.96 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Zr8In12P
_chemical_formula_sum "Zr8 In12 P1"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 1ce80d44-e084-4532-80ec-614b7f146591 | mp-1213028 | Insert a Fl atom in the line between atoms at indices 8 and 6, and the inserted atom must be 3.27 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ErMn6Sn4Ge2Fl
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2 Fl1"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | ffa5fbed-dee4-466e-9253-997bc076deae | mp-771449 | Insert a Am atom in the line between atoms at indices 1 and 16, and the inserted atom must be 2.38 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 6.06590547
_cell_length_b 7.30265316
_cell_length_c 8.43159788
_cell_angle_alpha 105.7104987
_cell_angle_beta 88.4740915
_cell_angle_gamma 99.33702759999998
_space_group_na... | data_image0
_chemical_formula_structural Mn8P4O20Am
_chemical_formula_sum "Mn8 P4 O20 Am1"
_cell_length_a 6.06590547
_cell_length_b 7.30265316
_cell_length_c 8.43159788
_cell_angle_alpha 105.7104987
_cell_angle_beta 88.4740915
_cell_angle_gamma 99.33702759999998
_space_gr... |
InsertBetweenAtomsAction | d05699fa-a7a5-491e-901f-50683f6da77c | mp-28507 | Insert a F atom in the line between atoms at indices 31 and 38, and the inserted atom must be 6.87 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S44F
_chemical_formula_sum "La16 Nb14 S44 F1"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | a59af342-793b-44aa-9189-6215c5de6b2b | mp-31486 | Insert a Y atom in the line between atoms at indices 6 and 11, and the inserted atom must be 1.04 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural K8Sn4Bi4
_chemical_formula_sum "K8 Sn4 Bi4"
_cell_length_a 6.58790816
_cell_length_b 6.81610235
_cell_length_c 13.44613075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural K8Sn4Bi4Y
_chemical_formula_sum "K8 Sn4 Bi4 Y1"
_cell_length_a 6.58790816
_cell_length_b 6.81610235
_cell_length_c 13.44613075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | c95dec42-d8ce-4531-b3a8-af672520fc4f | mp-557123 | Insert a Fl atom in the line between atoms at indices 12 and 5, and the inserted atom must be 3.33 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32Fl
_chemical_formula_sum "Na8 Cu4 Si12 O32 Fl1"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 0e6645c1-c9d8-4e5c-bfcc-60631a703ef0 | mp-554002 | Insert a Ce atom in the line between atoms at indices 8 and 9, and the inserted atom must be 0.58 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al2H6O6Ce
_chemical_formula_sum "Al2 H6 O6 Ce1"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_nam... |
InsertBetweenAtomsAction | 15421bd5-e1ac-4cd9-b841-f2674f12f259 | mp-1214900 | Insert a Rb atom in the line between atoms at indices 41 and 70, and the inserted atom must be 5.86 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural B4C48Cl4F40Rb
_chemical_formula_sum "B4 C48 Cl4 F40 Rb1"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
InsertBetweenAtomsAction | 865f8e07-28f0-4a34-b0d3-66c9535f9932 | mp-1227442 | Insert a Sn atom in the line between atoms at indices 4 and 8, and the inserted atom must be 1.95 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural Be2BH3O5Sn
_chemical_formula_sum "Be2 B1 H3 O5 Sn1"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_spac... |
InsertBetweenAtomsAction | 8fd4d0ff-baa1-4099-a85a-e4258c5b0806 | mp-1191389 | Insert a Na atom in the line between atoms at indices 0 and 11, and the inserted atom must be 0.66 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr4V4O16Na
_chemical_formula_sum "Pr4 V4 O16 Na1"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_na... |
InsertBetweenAtomsAction | 38721f00-7468-4558-975f-b05ed69c4b76 | mp-1220625 | Insert a Sn atom in the line between atoms at indices 4 and 3, and the inserted atom must be 2.57 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_... | data_image0
_chemical_formula_structural Nd4Si7Sn
_chemical_formula_sum "Nd4 Si7 Sn1"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
InsertBetweenAtomsAction | 6d3eecad-70c6-4083-a680-e9449fead202 | mp-2452 | Insert a W atom in the line between atoms at indices 11 and 4, and the inserted atom must be 1.51 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O10W
_chemical_formula_sum "P4 O10 W1"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name... |
InsertBetweenAtomsAction | 28b8ea8b-55b7-4b59-ba71-3c139da01619 | mp-6564 | Insert a Na atom in the line between atoms at indices 22 and 2, and the inserted atom must be 0.56 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Sr4Mg2Si4O14
_chemical_formula_sum "Sr4 Mg2 Si4 O14"
_cell_length_a 8.09718
_cell_length_b 8.09718
_cell_length_c 5.22654
_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 Sr4Mg2Si4O14Na
_chemical_formula_sum "Sr4 Mg2 Si4 O14 Na1"
_cell_length_a 8.09718
_cell_length_b 8.09718
_cell_length_c 5.22654
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 673e0fcb-6fe5-43da-b45f-0cfb1e10fb5a | mp-19984 | Insert a Nd atom in the line between atoms at indices 3 and 0, and the inserted atom must be 0.98 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Tb4B16
_chemical_formula_sum "Tb4 B16"
_cell_length_a 8.521227
_cell_length_b 8.521227
_cell_length_c 4.201706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Tb4B16Nd
_chemical_formula_sum "Tb4 B16 Nd1"
_cell_length_a 8.521227
_cell_length_b 8.521227
_cell_length_c 4.201706
_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 | e9be51c7-7f70-4f77-87d1-b8064e7f4946 | mp-2223123 | Insert a Ac atom in the line between atoms at indices 6 and 4, and the inserted atom must be 0.64 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2Ac
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2 Ac1"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002... |
InsertBetweenAtomsAction | 424e6d43-50b3-4fa0-b8de-5d1a66f00e81 | mp-1202068 | Insert a Ge atom in the line between atoms at indices 4 and 0, and the inserted atom must be 1.47 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... | data_image0
_chemical_formula_structural Pd2C8S8I4N16Ge
_chemical_formula_sum "Pd2 C8 S8 I4 N16 Ge1"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1... |
InsertBetweenAtomsAction | 4725712f-e833-42c0-8a83-a175620492d9 | mp-1189241 | Insert a Co atom in the line between atoms at indices 4 and 14, and the inserted atom must be 1.24 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Gd4As8Au4Co
_chemical_formula_sum "Gd4 As8 Au4 Co1"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | e8eb0d70-d5f6-4eca-8200-c9675d6a4c67 | mp-559738 | Insert a Ds atom in the line between atoms at indices 22 and 1, and the inserted atom must be 11.15 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S8N8Cl40Ds
_chemical_formula_sum "Sb8 S8 N8 Cl40 Ds1"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000... |
InsertBetweenAtomsAction | 5558ab92-bda4-4d88-94b6-4701dc5e4760 | mp-1247837 | Insert a Ra atom in the line between atoms at indices 40 and 3, and the inserted atom must be 5.09 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_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 Al16Zn8S32Ra
_chemical_formula_sum "Al16 Zn8 S32 Ra1"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
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