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 | 2a9ecc3a-bd38-4632-b44b-1394e985ad77 | mp-680301 | Insert a Br atom in the line between atoms at indices 59 and 50, and the inserted atom must be 7.61 angstrom from atom at 59 in the cif file. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32Br
_chemical_formula_sum "K24 As8 O32 Br1"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H... |
InsertBetweenAtomsAction | 397eb847-debb-4e72-87b0-b47315dab578 | mp-766529 | Insert a Si atom in the line between atoms at indices 7 and 6, and the inserted atom must be 3.59 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.136106
_cell_length_b 6.43709
_cell_length_c 10.844521
_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 Li4Fe4Si4O16Si
_chemical_formula_sum "Li4 Fe4 Si5 O16"
_cell_length_a 5.136106
_cell_length_b 6.43709
_cell_length_c 10.844521
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 90179be0-2603-4c20-9e59-028dfa9e74f5 | mp-772666 | Insert a Fl atom in the line between atoms at indices 17 and 5, and the inserted atom must be 4.09 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... | data_image0
_chemical_formula_structural Li4Cr4O14Fl
_chemical_formula_sum "Li4 Cr4 O14 Fl1"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_spac... |
InsertBetweenAtomsAction | 2cf0d55d-c9d3-495f-94db-3cddb2de6b77 | mp-1106406 | Insert a Y atom in the line between atoms at indices 3 and 13, and the inserted atom must be 1.15 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ce4Sn2S10
_chemical_formula_sum "Ce4 Sn2 S10"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_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 Ce4Sn2S10Y
_chemical_formula_sum "Ce4 Sn2 S10 Y1"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 68e928fe-256e-448d-b302-d0740655ae2a | mp-1213210 | Insert a Cr atom in the line between atoms at indices 26 and 2, and the inserted atom must be 3.60 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Dy4Au10F42
_chemical_formula_sum "Dy4 Au10 F42"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491999999... | data_image0
_chemical_formula_structural Dy4Au10F42Cr
_chemical_formula_sum "Dy4 Au10 F42 Cr1"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491... |
InsertBetweenAtomsAction | cf95ae3a-62bf-4326-8ec7-84fc88e888d2 | mp-30949 | Insert a Hg atom in the line between atoms at indices 0 and 14, and the inserted atom must be 4.84 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Sr12Si4O4
_chemical_formula_sum "Sr12 Si4 O4"
_cell_length_a 7.15066135
_cell_length_b 7.13016274
_cell_length_c 10.10705953
_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 Sr12Si4O4Hg
_chemical_formula_sum "Sr12 Si4 O4 Hg1"
_cell_length_a 7.15066135
_cell_length_b 7.13016274
_cell_length_c 10.10705953
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 407534ca-91e5-44cf-9ddb-8c2ec6748bb3 | mp-1210185 | Insert a Ds atom in the line between atoms at indices 14 and 9, and the inserted atom must be 3.65 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Na4Y2Ir3O12
_chemical_formula_sum "Na4 Y2 Ir3 O12"
_cell_length_a 9.48034113
_cell_length_b 9.48034113
_cell_length_c 3.208925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na4Y2Ir3O12Ds
_chemical_formula_sum "Na4 Y2 Ir3 O12 Ds1"
_cell_length_a 9.48034113
_cell_length_b 9.48034113
_cell_length_c 3.208925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389999999
_space_group_nam... |
InsertBetweenAtomsAction | 4df74a4d-927c-4165-a4a2-9677215f11ae | mp-1210964 | Insert a Bh atom in the line between atoms at indices 13 and 33, and the inserted atom must be 0.89 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Lu12Cr4S24
_chemical_formula_sum "Lu12 Cr4 S24"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_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 Lu12Cr4S24Bh
_chemical_formula_sum "Lu12 Cr4 S24 Bh1"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f45717b7-bd70-409a-ab00-2717745fb1b9 | mp-771123 | Insert a Sb atom in the line between atoms at indices 2 and 0, and the inserted atom must be 3.95 angstrom from atom at 2 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 Sc6Fe6O18Sb
_chemical_formula_sum "Sc6 Fe6 O18 Sb1"
_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 | 31b4e922-b52e-4594-9b3e-972cb9785314 | mp-1079648 | Insert a Mg atom in the line between atoms at indices 2 and 9, and the inserted atom must be 0.74 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 U2Ge4Rh4Mg
_chemical_formula_sum "U2 Ge4 Rh4 Mg1"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 | fc06d742-1e2a-4997-8191-6c6950e6294e | mp-1213759 | Insert a Mo atom in the line between atoms at indices 30 and 25, and the inserted atom must be 1.75 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Cs12Ir4Br24O4
_chemical_formula_sum "Cs12 Ir4 Br24 O4"
_cell_length_a 7.637021
_cell_length_b 13.413389
_cell_length_c 15.952445
_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 Cs12Ir4Br24O4Mo
_chemical_formula_sum "Cs12 Ir4 Br24 O4 Mo1"
_cell_length_a 7.637021
_cell_length_b 13.413389
_cell_length_c 15.952445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 1d95c0c7-2b26-4bc8-b79f-5cf99ee4588e | mp-780696 | Insert a Pt atom in the line between atoms at indices 2 and 31, and the inserted atom must be 1.06 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082
_space... | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20Pt
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20 Pt1"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082
... |
InsertBetweenAtomsAction | bb52f9e2-9bfa-47f6-8a60-2725370f6bca | mp-630927 | Insert a Rh atom in the line between atoms at indices 9 and 2, and the inserted atom must be 1.56 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6Rh
_chemical_formula_sum "Pb4 Se1 Br6 Rh1"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_spac... |
InsertBetweenAtomsAction | d83bba65-4b85-4ffe-80ee-941bf9cdaa5a | mp-1028424 | Insert a Mg atom in the line between atoms at indices 5 and 10, and the inserted atom must be 6.43 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CsMg14CoMg
_chemical_formula_sum "Cs1 Mg15 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 24f783b5-90db-47b5-a211-2b8b1810ba2c | mp-1517031 | Insert a Cr atom in the line between atoms at indices 39 and 24, and the inserted atom must be 5.22 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Ba4Ca4Gd4Nb4O24
_chemical_formula_sum "Ba4 Ca4 Gd4 Nb4 O24"
_cell_length_a 8.40905738
_cell_length_b 8.39257789
_cell_length_c 8.44034433
_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 Ba4Ca4Gd4Nb4O24Cr
_chemical_formula_sum "Ba4 Ca4 Gd4 Nb4 O24 Cr1"
_cell_length_a 8.40905738
_cell_length_b 8.39257789
_cell_length_c 8.44034433
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | cfe04106-ddcf-4722-aef4-0f860aded60b | mp-1233325 | Insert a Hg atom in the line between atoms at indices 7 and 17, and the inserted atom must be 0.60 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural CaEr4Zr4O14
_chemical_formula_sum "Ca1 Er4 Zr4 O14"
_cell_length_a 3.57022946
_cell_length_b 15.22401611
_cell_length_c 13.07659326
_cell_angle_alpha 30.80166136999999
_cell_angle_beta 56.715480969999994
_cell_angle_gamma 61.8756690... | data_image0
_chemical_formula_structural CaEr4Zr4O14Hg
_chemical_formula_sum "Ca1 Er4 Zr4 O14 Hg1"
_cell_length_a 3.57022946
_cell_length_b 15.22401611
_cell_length_c 13.07659326
_cell_angle_alpha 30.80166136999999
_cell_angle_beta 56.715480969999994
_cell_angle_gamma 61.8... |
InsertBetweenAtomsAction | 9aa32ba2-aefa-4946-ac50-9aebfd989e5b | mp-1026556 | Insert a Np atom in the line between atoms at indices 6 and 11, and the inserted atom must be 2.18 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CrCNp
_chemical_formula_sum "Mg14 Cr1 C1 Np1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M... |
InsertBetweenAtomsAction | 67469bc0-f563-4484-87a2-c2c24bc7904f | mp-5996 | Insert a Tm atom in the line between atoms at indices 24 and 30, and the inserted atom must be 5.37 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Na8Ti8Si8O36
_chemical_formula_sum "Na8 Ti8 Si8 O36"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_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 Na8Ti8Si8O36Tm
_chemical_formula_sum "Na8 Ti8 Si8 O36 Tm1"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 0fef2023-7a83-4f91-a5f9-ef80bf2bf902 | mp-1182991 | Insert a Nd atom in the line between atoms at indices 16 and 10, and the inserted atom must be 1.68 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ag4Te2O12
_chemical_formula_sum "Ag4 Te2 O12"
_cell_length_a 9.03229954
_cell_length_b 6.12470557
_cell_length_c 10.04159777
_cell_angle_alpha 62.18340281999999
_cell_angle_beta 37.26355637999998
_cell_angle_gamma 80.47591117
_spac... | data_image0
_chemical_formula_structural Ag4Te2O12Nd
_chemical_formula_sum "Ag4 Te2 O12 Nd1"
_cell_length_a 9.03229954
_cell_length_b 6.12470557
_cell_length_c 10.04159777
_cell_angle_alpha 62.18340281999999
_cell_angle_beta 37.26355637999998
_cell_angle_gamma 80.47591117
... |
InsertBetweenAtomsAction | 1cf781be-d5f9-4769-ac47-135bcbfa9902 | mp-1202294 | Insert a Hg atom in the line between atoms at indices 63 and 5, and the inserted atom must be 6.12 angstrom from atom at 63 in the cif file. | data_image0
_chemical_formula_structural Ni8P16H16O56
_chemical_formula_sum "Ni8 P16 H16 O56"
_cell_length_a 12.797851
_cell_length_b 9.285836
_cell_length_c 9.683979269999998
_cell_angle_alpha 73.07185644
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ni8P16H16O56Hg
_chemical_formula_sum "Ni8 P16 H16 O56 Hg1"
_cell_length_a 12.797851
_cell_length_b 9.285836
_cell_length_c 9.683979269999998
_cell_angle_alpha 73.07185644
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | 777725b9-3ce5-4109-b9c4-13ec36c95ade | mp-1232032 | Insert a In atom in the line between atoms at indices 23 and 27, and the inserted atom must be 1.31 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 13.48704158
_cell_length_b 7.88029332
_cell_length_c 6.51258164
_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 Y8Mg4S16In
_chemical_formula_sum "Y8 Mg4 S16 In1"
_cell_length_a 13.48704158
_cell_length_b 7.88029332
_cell_length_c 6.51258164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 649a76d0-b867-4e44-9222-dabd4bc96f5b | mp-1247313 | Insert a Sb atom in the line between atoms at indices 13 and 17, and the inserted atom must be 3.39 angstrom from atom at 13 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 Zn16Ag4N12Sb
_chemical_formula_sum "Zn16 Ag4 N12 Sb1"
_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 | 52d84647-83f1-401c-9973-b91efd5e9f21 | mp-16623 | Insert a Ru atom in the line between atoms at indices 19 and 3, and the inserted atom must be 1.17 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... | data_image0
_chemical_formula_structural Dy2Al14Au6Ru
_chemical_formula_sum "Dy2 Al14 Au6 Ru1"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.3445374... |
InsertBetweenAtomsAction | 3e757fa5-c14d-47be-8e25-c54b5f7dcd28 | mp-756744 | Insert a W atom in the line between atoms at indices 1 and 7, and the inserted atom must be 4.72 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co6B6O18W
_chemical_formula_sum "Li6 Co6 B6 O18 W1"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.0465... |
InsertBetweenAtomsAction | bce07728-d425-4d2f-bd70-76931fb149f2 | mp-558350 | Insert a Ag atom in the line between atoms at indices 50 and 42, and the inserted atom must be 10.87 angstrom from atom at 50 in the cif file. | data_image0
_chemical_formula_structural Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn16Te8Br16O24Ag
_chemical_formula_sum "Zn16 Te8 Br16 O24 Ag1"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2e151846-f4d5-4741-9380-453cd67c2d84 | mp-540876 | Insert a Sm atom in the line between atoms at indices 21 and 10, and the inserted atom must be 1.20 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural K2Th4P6O24
_chemical_formula_sum "K2 Th4 P6 O24"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.36745654
_sp... | data_image0
_chemical_formula_structural K2Th4P6O24Sm
_chemical_formula_sum "K2 Th4 P6 O24 Sm1"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.3674565... |
InsertBetweenAtomsAction | 4b864b21-1a13-416a-a579-91fe17039dc5 | mp-20083 | Insert a Sg atom in the line between atoms at indices 8 and 9, and the inserted atom must be 1.50 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4Sg
_chemical_formula_sum "Sc4 Cu4 Si4 Sg1"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | b40ce068-e0bc-4c6a-b9b8-c2d05af482e6 | mp-1103834 | Insert a Na atom in the line between atoms at indices 11 and 3, and the inserted atom must be 1.96 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural LiMo6S8
_chemical_formula_sum "Li1 Mo6 S8"
_cell_length_a 6.52044706
_cell_length_b 6.5204470599999995
_cell_length_c 6.520447640000001
_cell_angle_alpha 92.02069996999998
_cell_angle_beta 92.02069996999998
_cell_angle_gamma 92.0206... | data_image0
_chemical_formula_structural LiMo6S8Na
_chemical_formula_sum "Li1 Mo6 S8 Na1"
_cell_length_a 6.52044706
_cell_length_b 6.5204470599999995
_cell_length_c 6.520447640000001
_cell_angle_alpha 92.02069996999998
_cell_angle_beta 92.02069996999998
_cell_angle_gamma 9... |
InsertBetweenAtomsAction | 4cd41b75-3cce-43aa-9e3f-45d0a80e6f4f | mp-763481 | Insert a Ca atom in the line between atoms at indices 26 and 21, and the inserted atom must be 3.27 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Nb8Co4O24
_chemical_formula_sum "Nb8 Co4 O24"
_cell_length_a 4.82910201
_cell_length_b 10.39951891
_cell_length_c 9.6593011
_cell_angle_alpha 62.34460947
_cell_angle_beta 90.00166628
_cell_angle_gamma 90.0082642
_space_group_name_H... | data_image0
_chemical_formula_structural Nb8Co4O24Ca
_chemical_formula_sum "Nb8 Co4 O24 Ca1"
_cell_length_a 4.82910201
_cell_length_b 10.39951891
_cell_length_c 9.6593011
_cell_angle_alpha 62.34460947
_cell_angle_beta 90.00166628
_cell_angle_gamma 90.0082642
_space_group_... |
InsertBetweenAtomsAction | fd75ed49-20c6-4e2b-9d01-153f32adf734 | mp-1095677 | Insert a At atom in the line between atoms at indices 0 and 4, and the inserted atom must be 0.86 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Np4Sb8
_chemical_formula_sum "Np4 Sb8"
_cell_length_a 4.3506907
_cell_length_b 4.3506907
_cell_length_c 17.247987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.40688543
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Np4Sb8At
_chemical_formula_sum "Np4 Sb8 At1"
_cell_length_a 4.3506907
_cell_length_b 4.3506907
_cell_length_c 17.247987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.40688543
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 65263e4e-7c5f-453a-92df-3fd5e6e4178a | mp-997504 | Insert a La atom in the line between atoms at indices 8 and 6, and the inserted atom must be 0.93 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F10La
_chemical_formula_sum "Cu6 O2 F10 La1"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
... |
InsertBetweenAtomsAction | 9e9e3a00-2984-4a80-9946-fd513dc1a362 | mp-5169 | Insert a Dy atom in the line between atoms at indices 23 and 25, and the inserted atom must be 0.70 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Cu8P4O18
_chemical_formula_sum "Cu8 P4 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_name_H... | data_image0
_chemical_formula_structural Cu8P4O18Dy
_chemical_formula_sum "Cu8 P4 O18 Dy1"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_... |
InsertBetweenAtomsAction | 5cf93009-118f-4880-a31f-c883f42294cf | mp-673174 | Insert a Cf atom in the line between atoms at indices 26 and 31, and the inserted atom must be 2.11 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe24N9Cf
_chemical_formula_sum "Fe24 N9 Cf1"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
... |
InsertBetweenAtomsAction | 7b93e83f-ad0a-4a59-b82c-abde5af6e986 | mp-637030 | Insert a Bh atom in the line between atoms at indices 0 and 9, and the inserted atom must be 13.50 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... | data_image0
_chemical_formula_structural Gd2Al6Si4PtBh
_chemical_formula_sum "Gd2 Al6 Si4 Pt1 Bh1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13... |
InsertBetweenAtomsAction | f8f5622f-5212-4e46-9b27-4eafcd87a9d7 | mp-753244 | Insert a Zr atom in the line between atoms at indices 23 and 4, and the inserted atom must be 4.13 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2Mn4F18Zr
_chemical_formula_sum "Li2 Mn4 F18 Zr1"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space... |
InsertBetweenAtomsAction | 48f014f8-efe6-4383-a7f9-675762f26e57 | mp-3347425 | Insert a Pm atom in the line between atoms at indices 10 and 8, and the inserted atom must be 2.66 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Na9Li3Mg3Cl18
_chemical_formula_sum "Na9 Li3 Mg3 Cl18"
_cell_length_a 11.90235993
_cell_length_b 11.90235993
_cell_length_c 6.28689806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999999999999
_space_group_n... | data_image0
_chemical_formula_structural Na9Li3Mg3Cl18Pm
_chemical_formula_sum "Na9 Li3 Mg3 Cl18 Pm1"
_cell_length_a 11.90235993
_cell_length_b 11.90235993
_cell_length_c 6.28689806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999999999999
_space_g... |
InsertBetweenAtomsAction | 0130aa03-98b4-42e0-b81b-f3dafb7f1c91 | mp-2824 | Insert a Ir atom in the line between atoms at indices 6 and 8, and the inserted atom must be 0.60 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Al4Pd8
_chemical_formula_sum "Al4 Pd8"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_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 Al4Pd8Ir
_chemical_formula_sum "Al4 Pd8 Ir1"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_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 | 858bc025-e78e-46c9-84c1-809e380b7c3e | mp-1189263 | Insert a V atom in the line between atoms at indices 8 and 13, and the inserted atom must be 3.96 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Pd2N4O12
_chemical_formula_sum "Pd2 N4 O12"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pd2N4O12V
_chemical_formula_sum "Pd2 N4 O12 V1"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | d34283b7-36c7-49d8-b77a-87c8e857b556 | mp-1106129 | Insert a Cu atom in the line between atoms at indices 13 and 7, and the inserted atom must be 2.67 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_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 Bi4Te2Br2O9Cu
_chemical_formula_sum "Bi4 Te2 Br2 O9 Cu1"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 20fb5a71-d038-4785-a566-1488cee3e912 | mp-1043568 | Insert a P atom in the line between atoms at indices 4 and 0, and the inserted atom must be 1.40 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ta4P4O20
_chemical_formula_sum "Ta4 P4 O20"
_cell_length_a 10.39536412
_cell_length_b 9.10883856
_cell_length_c 7.12370371
_cell_angle_alpha 78.59862332999998
_cell_angle_beta 59.1987915
_cell_angle_gamma 42.202585170000006
_space_... | data_image0
_chemical_formula_structural Ta4P4O20P
_chemical_formula_sum "Ta4 P5 O20"
_cell_length_a 10.39536412
_cell_length_b 9.10883856
_cell_length_c 7.12370371
_cell_angle_alpha 78.59862332999998
_cell_angle_beta 59.1987915
_cell_angle_gamma 42.202585170000006
_space... |
InsertBetweenAtomsAction | 26580f50-d2f2-43d8-9af9-359e7c5f7100 | mp-1043165 | Insert a Sm atom in the line between atoms at indices 16 and 38, and the inserted atom must be 0.56 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ca4Ni4Ge8O24
_chemical_formula_sum "Ca4 Ni4 Ge8 O24"
_cell_length_a 5.47812896
_cell_length_b 10.230362419999999
_cell_length_c 9.05647501
_cell_angle_alpha 89.99965499
_cell_angle_beta 90.00086354
_cell_angle_gamma 105.5279128
_sp... | data_image0
_chemical_formula_structural Ca4Ni4Ge8O24Sm
_chemical_formula_sum "Ca4 Ni4 Ge8 O24 Sm1"
_cell_length_a 5.47812896
_cell_length_b 10.230362419999999
_cell_length_c 9.05647501
_cell_angle_alpha 89.99965499
_cell_angle_beta 90.00086354
_cell_angle_gamma 105.527912... |
InsertBetweenAtomsAction | 1a477a74-7148-4fea-bf7f-1eb4b8213323 | mp-1218107 | Insert a Pa atom in the line between atoms at indices 16 and 18, and the inserted atom must be 2.65 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Sr2Pr2Co2Ru2O12
_chemical_formula_sum "Sr2 Pr2 Co2 Ru2 O12"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr2Pr2Co2Ru2O12Pa
_chemical_formula_sum "Sr2 Pr2 Co2 Ru2 O12 Pa1"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | e03097cc-5251-4904-be34-ed5ac818140b | mp-1104551 | Insert a Sc atom in the line between atoms at indices 11 and 0, and the inserted atom must be 1.69 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural DyZn12
_chemical_formula_sum "Dy1 Zn12"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... | data_image0
_chemical_formula_structural DyZn12Sc
_chemical_formula_sum "Dy1 Zn12 Sc1"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_gr... |
InsertBetweenAtomsAction | a3bbc1ba-b63b-404e-80f3-6b036e55710e | mp-1047012 | Insert a Cf atom in the line between atoms at indices 24 and 10, and the inserted atom must be 1.58 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Ca4Nb4Ni2O16
_chemical_formula_sum "Ca4 Nb4 Ni2 O16"
_cell_length_a 9.95587492
_cell_length_b 9.95587492
_cell_length_c 5.48497163
_cell_angle_alpha 88.82553978000001
_cell_angle_beta 88.82553978000001
_cell_angle_gamma 36.909123379... | data_image0
_chemical_formula_structural Ca4Nb4Ni2O16Cf
_chemical_formula_sum "Ca4 Nb4 Ni2 O16 Cf1"
_cell_length_a 9.95587492
_cell_length_b 9.95587492
_cell_length_c 5.48497163
_cell_angle_alpha 88.82553978000001
_cell_angle_beta 88.82553978000001
_cell_angle_gamma 36.909... |
InsertBetweenAtomsAction | 68f23cfe-a3f6-482d-9c4f-96f3caf2ba75 | mp-1017477 | Insert a Rh atom in the line between atoms at indices 1 and 9, and the inserted atom must be 1.65 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 La2Mg12W2Rh
_chemical_formula_sum "La2 Mg12 W2 Rh1"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 | 677ddc53-417b-4ead-bba6-cdc3a249b55b | mp-1211269 | Insert a Cr atom in the line between atoms at indices 11 and 19, and the inserted atom must be 6.26 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural La2Al20Ru4
_chemical_formula_sum "La2 Al20 Ru4"
_cell_length_a 6.86797254
_cell_length_b 6.86797254
_cell_length_c 9.16754248
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01280556000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La2Al20Ru4Cr
_chemical_formula_sum "La2 Al20 Ru4 Cr1"
_cell_length_a 6.86797254
_cell_length_b 6.86797254
_cell_length_c 9.16754248
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01280556000002
_space_group_name_... |
InsertBetweenAtomsAction | 5938a58e-b768-4fbc-a11d-5e344a53d851 | mp-1246779 | Insert a Rf atom in the line between atoms at indices 4 and 3, and the inserted atom must be 0.46 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N12Rf
_chemical_formula_sum "Ba10 Hf4 N12 Rf1"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_g... |
InsertBetweenAtomsAction | 7f501455-c4c3-4a70-ba57-559b74e8ce70 | mp-731924 | Insert a Sg atom in the line between atoms at indices 14 and 9, and the inserted atom must be 3.99 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural V4P4H20N4O24
_chemical_formula_sum "V4 P4 H20 N4 O24"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_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 V4P4H20N4O24Sg
_chemical_formula_sum "V4 P4 H20 N4 O24 Sg1"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | f6d5588d-24de-45ce-838c-fc130c7f6b37 | mp-722271 | Insert a Rh atom in the line between atoms at indices 15 and 8, and the inserted atom must be 1.76 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural H28Ru2S4N8O12
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural H28Ru2S4N8O12Rh
_chemical_formula_sum "H28 Ru2 S4 N8 O12 Rh1"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 306b511f-327d-49d4-b772-b53a6609f0ae | mp-757164 | Insert a Po atom in the line between atoms at indices 10 and 13, and the inserted atom must be 0.89 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 2.913698
_cell_length_b 4.99117083
_cell_length_c 10.06131636
_cell_angle_alpha 91.12704374
_cell_angle_beta 91.30901448
_cell_angle_gamma 90.70872344
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn2Co2O8Po
_chemical_formula_sum "Li3 Mn2 Co2 O8 Po1"
_cell_length_a 2.913698
_cell_length_b 4.99117083
_cell_length_c 10.06131636
_cell_angle_alpha 91.12704374
_cell_angle_beta 91.30901448
_cell_angle_gamma 90.70872344
_space_g... |
InsertBetweenAtomsAction | 8dad2120-7025-48a3-ab54-778d2f903adc | mp-698711 | Insert a Fe atom in the line between atoms at indices 31 and 22, and the inserted atom must be 1.16 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Sr9NdFe5Mo5O30
_chemical_formula_sum "Sr9 Nd1 Fe5 Mo5 O30"
_cell_length_a 5.637495
_cell_length_b 9.79783622
_cell_length_c 12.74655048
_cell_angle_alpha 74.84030769
_cell_angle_beta 77.28271922
_cell_angle_gamma 73.31290808
_space... | data_image0
_chemical_formula_structural Sr9NdFe5Mo5O30Fe
_chemical_formula_sum "Sr9 Nd1 Fe6 Mo5 O30"
_cell_length_a 5.637495
_cell_length_b 9.79783622
_cell_length_c 12.74655048
_cell_angle_alpha 74.84030769
_cell_angle_beta 77.28271922
_cell_angle_gamma 73.31290808
_spa... |
InsertBetweenAtomsAction | 4e8c5920-3271-48fc-b58b-aea796a9a444 | mp-1017129 | Insert a Bh atom in the line between atoms at indices 1 and 8, and the inserted atom must be 4.04 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg12Bi2Sb2
_chemical_formula_sum "Mg12 Bi2 Sb2"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_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 Mg12Bi2Sb2Bh
_chemical_formula_sum "Mg12 Bi2 Sb2 Bh1"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | feaaf71b-5efc-4cde-badd-ea8d0fa344d7 | mp-1366748 | Insert a Bh atom in the line between atoms at indices 15 and 2, and the inserted atom must be 2.12 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li4Cr2P4O14
_chemical_formula_sum "Li4 Cr2 P4 O14"
_cell_length_a 5.515163
_cell_length_b 6.44625524
_cell_length_c 8.97687023
_cell_angle_alpha 110.58169125
_cell_angle_beta 92.70962614000001
_cell_angle_gamma 106.39633941
_space_... | data_image0
_chemical_formula_structural Li4Cr2P4O14Bh
_chemical_formula_sum "Li4 Cr2 P4 O14 Bh1"
_cell_length_a 5.515163
_cell_length_b 6.44625524
_cell_length_c 8.97687023
_cell_angle_alpha 110.58169125
_cell_angle_beta 92.70962614000001
_cell_angle_gamma 106.39633941
_... |
InsertBetweenAtomsAction | 87c04c8b-db03-4265-815e-150187358099 | mp-1227760 | Insert a Mg atom in the line between atoms at indices 18 and 8, and the inserted atom must be 1.20 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Ca4Dy6Sb6O28
_chemical_formula_sum "Ca4 Dy6 Sb6 O28"
_cell_length_a 7.48616469
_cell_length_b 7.48616469
_cell_length_c 10.49413412
_cell_angle_alpha 88.7638551
_cell_angle_beta 88.7638551
_cell_angle_gamma 90.36135191
_space_group... | data_image0
_chemical_formula_structural Ca4Dy6Sb6O28Mg
_chemical_formula_sum "Ca4 Dy6 Sb6 O28 Mg1"
_cell_length_a 7.48616469
_cell_length_b 7.48616469
_cell_length_c 10.49413412
_cell_angle_alpha 88.7638551
_cell_angle_beta 88.7638551
_cell_angle_gamma 90.36135191
_space... |
InsertBetweenAtomsAction | 7ca254f8-3c92-4fe9-9482-d7fdf55b137b | mp-1213886 | Insert a Md atom in the line between atoms at indices 13 and 3, and the inserted atom must be 0.62 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce8Tl8F40Md
_chemical_formula_sum "Ce8 Tl8 F40 Md1"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_... |
InsertBetweenAtomsAction | 4cb8da34-cb54-439b-b9dd-610d7cfb0e71 | mp-33255 | Insert a C atom in the line between atoms at indices 7 and 27, and the inserted atom must be 3.84 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ni15O16
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_space_gr... | data_image0
_chemical_formula_structural Ni15O16C
_chemical_formula_sum "Ni15 O16 C1"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_spac... |
InsertBetweenAtomsAction | 8bbffd4c-2b73-4125-a2a3-72e97c9ddf4f | mp-29249 | Insert a Tl atom in the line between atoms at indices 0 and 11, and the inserted atom must be 3.96 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 Ge8As8Se8Tl
_chemical_formula_sum "Ge8 As8 Se8 Tl1"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | b1b7a3ad-85ef-43bd-8b77-160f17c6417b | mp-1208926 | Insert a O atom in the line between atoms at indices 25 and 21, and the inserted atom must be 3.61 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Sm4Ga18Ir6
_chemical_formula_sum "Sm4 Ga18 Ir6"
_cell_length_a 7.53738553
_cell_length_b 7.53738593
_cell_length_c 9.53524239
_cell_angle_alpha 90.00030669
_cell_angle_beta 90.00030257
_cell_angle_gamma 119.75825073
_space_group_na... | data_image0
_chemical_formula_structural Sm4Ga18Ir6O
_chemical_formula_sum "Sm4 Ga18 Ir6 O1"
_cell_length_a 7.53738553
_cell_length_b 7.53738593
_cell_length_c 9.53524239
_cell_angle_alpha 90.00030669
_cell_angle_beta 90.00030257
_cell_angle_gamma 119.75825073
_space_grou... |
InsertBetweenAtomsAction | 80a7eef6-0d44-4610-9a43-ccd57269babe | mp-1225219 | Insert a Pd atom in the line between atoms at indices 6 and 11, and the inserted atom must be 0.83 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_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 EuAl8SiAu4Pd
_chemical_formula_sum "Eu1 Al8 Si1 Au4 Pd1"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 708586d6-3536-410a-ad8a-94c557a353d6 | mp-6632 | Insert a Cr atom in the line between atoms at indices 16 and 11, and the inserted atom must be 0.36 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ca5B3O9F
_chemical_formula_sum "Ca5 B3 O9 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
_spac... | data_image0
_chemical_formula_structural Ca5B3O9FCr
_chemical_formula_sum "Ca5 B3 O9 F1 Cr1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
... |
InsertBetweenAtomsAction | c8432173-a7dc-4e47-8a68-097fac869846 | mp-21705 | Insert a Cf atom in the line between atoms at indices 26 and 23, and the inserted atom must be 3.57 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural K8In12Ag4Se24
_chemical_formula_sum "K8 In12 Ag4 Se24"
_cell_length_a 8.29834724
_cell_length_b 8.29834746
_cell_length_c 21.383902849999995
_cell_angle_alpha 84.27447969000002
_cell_angle_beta 84.27447803
_cell_angle_gamma 89.88291... | data_image0
_chemical_formula_structural K8In12Ag4Se24Cf
_chemical_formula_sum "K8 In12 Ag4 Se24 Cf1"
_cell_length_a 8.29834724
_cell_length_b 8.29834746
_cell_length_c 21.383902849999995
_cell_angle_alpha 84.27447969000002
_cell_angle_beta 84.27447803
_cell_angle_gamma 89... |
InsertBetweenAtomsAction | bbbfba01-725a-4091-87a7-d275f3390052 | mp-754552 | Insert a Ni atom in the line between atoms at indices 5 and 13, and the inserted atom must be 2.78 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li3Mn4B4O12
_chemical_formula_sum "Li3 Mn4 B4 O12"
_cell_length_a 5.291494
_cell_length_b 6.20734319
_cell_length_c 7.842728
_cell_angle_alpha 79.14851024
_cell_angle_beta 87.42970977
_cell_angle_gamma 87.53834646
_space_group_name... | data_image0
_chemical_formula_structural Li3Mn4B4O12Ni
_chemical_formula_sum "Li3 Mn4 B4 O12 Ni1"
_cell_length_a 5.291494
_cell_length_b 6.20734319
_cell_length_c 7.842728
_cell_angle_alpha 79.14851024
_cell_angle_beta 87.42970977
_cell_angle_gamma 87.53834646
_space_grou... |
InsertBetweenAtomsAction | 318b7707-7c25-4933-9f00-fa403938e681 | mp-1214888 | Insert a Ir atom in the line between atoms at indices 0 and 14, and the inserted atom must be 5.22 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O12Ir
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12 Ir1"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_grou... |
InsertBetweenAtomsAction | 0c14cae4-1d8d-4d57-8a4e-8681b86b0221 | mp-1233053 | Insert a Si atom in the line between atoms at indices 4 and 24, and the inserted atom must be 1.94 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural MgV8O8F8Si
_chemical_formula_sum "Mg1 V8 O8 F8 Si1"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_spac... |
InsertBetweenAtomsAction | 9da3b198-ee6b-4c50-a079-4025347fb4cc | mp-2227274 | Insert a Rn atom in the line between atoms at indices 4 and 5, and the inserted atom must be 3.34 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural MgW2Br4O4Rn
_chemical_formula_sum "Mg1 W2 Br4 O4 Rn1"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.... |
InsertBetweenAtomsAction | 11c69a6d-ed4f-45ce-87b7-393275220ff8 | mp-1191832 | Insert a Hf atom in the line between atoms at indices 4 and 1, and the inserted atom must be 1.97 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 Na2Mo8O12Hf
_chemical_formula_sum "Na2 Mo8 O12 Hf1"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 | 10379bec-66a8-46fc-a010-7ee991690545 | mp-1200783 | Insert a Be atom in the line between atoms at indices 97 and 14, and the inserted atom must be 6.97 angstrom from atom at 97 in the cif file. | data_image0
_chemical_formula_structural K4B24S16Cl24O32
_chemical_formula_sum "K4 B24 S16 Cl24 O32"
_cell_length_a 20.732491
_cell_length_b 9.842671
_cell_length_c 10.54402364
_cell_angle_alpha 79.37372503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural K4B24S16Cl24O32Be
_chemical_formula_sum "K4 B24 S16 Cl24 O32 Be1"
_cell_length_a 20.732491
_cell_length_b 9.842671
_cell_length_c 10.54402364
_cell_angle_alpha 79.37372503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 5ea0f8c2-ad7a-4e1f-b9ed-fbe7cfb7ac44 | mp-1219284 | Insert a Ar atom in the line between atoms at indices 8 and 9, and the inserted atom must be 0.95 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural ScNbPb2O6
_chemical_formula_sum "Sc1 Nb1 Pb2 O6"
_cell_length_a 5.81839845
_cell_length_b 5.81839845
_cell_length_c 5.81839845
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural ScNbPb2O6Ar
_chemical_formula_sum "Sc1 Nb1 Pb2 O6 Ar1"
_cell_length_a 5.81839845
_cell_length_b 5.81839845
_cell_length_c 5.81839845
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | 13106ee3-e446-4262-9031-91ce36dde060 | mp-541520 | Insert a Si atom in the line between atoms at indices 32 and 30, and the inserted atom must be 6.04 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural K2V6Se4O24
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2V6Se4O24Si
_chemical_formula_sum "K2 V6 Se4 O24 Si1"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name... |
InsertBetweenAtomsAction | 4e6dc0bc-8aee-48b6-bf5f-e2666aa539f1 | mp-558208 | Insert a V atom in the line between atoms at indices 14 and 8, and the inserted atom must be 5.69 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural Rb4In4As8O28V
_chemical_formula_sum "Rb4 In4 As8 O28 V1"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_... |
InsertBetweenAtomsAction | a5363f5b-76c9-48c9-b7c7-7bc5d4998b65 | mp-561165 | Insert a Bi atom in the line between atoms at indices 39 and 9, and the inserted atom must be 2.43 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural V6Bi12O30
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V6Bi12O30Bi
_chemical_formula_sum "V6 Bi13 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | e063369d-da7d-4f94-812c-7b1892d57a61 | mp-16136 | Insert a Ar atom in the line between atoms at indices 13 and 14, and the inserted atom must be 4.84 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14Ar
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14 Ar1"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_g... |
InsertBetweenAtomsAction | ad8f68c3-9db8-4ded-871d-c01682b2c514 | mp-1178577 | Insert a Ac atom in the line between atoms at indices 0 and 7, and the inserted atom must be 1.55 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Al4Fe4O12
_chemical_formula_sum "Al4 Fe4 O12"
_cell_length_a 4.96358685
_cell_length_b 4.963348700000001
_cell_length_c 9.494494210000001
_cell_angle_alpha 105.15160027000002
_cell_angle_beta 90.00137238
_cell_angle_gamma 119.998490... | data_image0
_chemical_formula_structural Al4Fe4O12Ac
_chemical_formula_sum "Al4 Fe4 O12 Ac1"
_cell_length_a 4.96358685
_cell_length_b 4.963348700000001
_cell_length_c 9.494494210000001
_cell_angle_alpha 105.15160027000002
_cell_angle_beta 90.00137238
_cell_angle_gamma 119.... |
InsertBetweenAtomsAction | d7f02941-ab88-463a-8cd5-9d78685de693 | mp-1234848 | Insert a Al atom in the line between atoms at indices 31 and 37, and the inserted atom must be 1.30 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural MgAg14Pb6O18
_chemical_formula_sum "Mg1 Ag14 Pb6 O18"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_space_gro... | data_image0
_chemical_formula_structural MgAg14Pb6O18Al
_chemical_formula_sum "Mg1 Ag14 Pb6 O18 Al1"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_spa... |
InsertBetweenAtomsAction | ecc92d2c-cfff-4f88-be84-7a98eeab93ee | mp-1193201 | Insert a Sg atom in the line between atoms at indices 7 and 6, and the inserted atom must be 5.42 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Gd12Se12N4
_chemical_formula_sum "Gd12 Se12 N4"
_cell_length_a 4.00144105
_cell_length_b 12.65259632
_cell_length_c 13.22567041
_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 Gd12Se12N4Sg
_chemical_formula_sum "Gd12 Se12 N4 Sg1"
_cell_length_a 4.00144105
_cell_length_b 12.65259632
_cell_length_c 13.22567041
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 4af98475-d1b7-4df3-9bc4-de12c925bec0 | mp-1192980 | Insert a Bi atom in the line between atoms at indices 5 and 17, and the inserted atom must be 9.08 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Tb10In8Pd4
_chemical_formula_sum "Tb10 In8 Pd4"
_cell_length_a 8.06403957
_cell_length_b 18.26175944
_cell_length_c 3.648529
_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 Tb10In8Pd4Bi
_chemical_formula_sum "Tb10 In8 Pd4 Bi1"
_cell_length_a 8.06403957
_cell_length_b 18.26175944
_cell_length_c 3.648529
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | f68e83a1-9bca-493c-9b99-129648c66c42 | mp-1030516 | Insert a Er atom in the line between atoms at indices 10 and 0, and the inserted atom must be 1.82 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34368152
_cell_length_b 3.3436815200000005
_cell_length_c 38.056017
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999905
_space_group_na... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2Er
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2 Er1"
_cell_length_a 3.34368152
_cell_length_b 3.3436815200000005
_cell_length_c 38.056017
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999905
_space_gr... |
InsertBetweenAtomsAction | c8fe4d38-ff0c-4559-8147-05528e4083ad | mp-1111200 | Insert a P atom in the line between atoms at indices 1 and 4, and the inserted atom must be 3.44 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K2TlAsI6
_chemical_formula_sum "K2 Tl1 As1 I6"
_cell_length_a 8.68891116
_cell_length_b 8.68891116
_cell_length_c 8.68891116
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2TlAsI6P
_chemical_formula_sum "K2 Tl1 As1 I6 P1"
_cell_length_a 8.68891116
_cell_length_b 8.68891116
_cell_length_c 8.68891116
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
InsertBetweenAtomsAction | a1e03e35-a632-4843-b630-423fe6e350ba | mp-545706 | Insert a As atom in the line between atoms at indices 9 and 0, and the inserted atom must be 3.90 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ca3Cu2Br2O4
_chemical_formula_sum "Ca3 Cu2 Br2 O4"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.838674... | data_image0
_chemical_formula_structural Ca3Cu2Br2O4As
_chemical_formula_sum "Ca3 Cu2 Br2 O4 As1"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.... |
InsertBetweenAtomsAction | 12b1c7a0-0c47-4c35-b099-62fa7b5c3083 | mp-1523289 | Insert a Db atom in the line between atoms at indices 5 and 14, and the inserted atom must be 2.55 angstrom from atom at 5 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 BaCaSn4O12Db
_chemical_formula_sum "Ba1 Ca1 Sn4 O12 Db1"
_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 | 31432c68-cee3-4f61-92f5-68b4b7a45088 | mp-559163 | Insert a Mc atom in the line between atoms at indices 14 and 24, and the inserted atom must be 3.31 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4As8O28Mc
_chemical_formula_sum "K4 Fe4 As8 O28 Mc1"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_spa... |
InsertBetweenAtomsAction | d3780cbd-28fd-4496-a836-b9ae7dd422dd | mp-1176298 | Insert a Tc atom in the line between atoms at indices 26 and 16, and the inserted atom must be 4.17 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.943337
_cell_length_b 10.048640040000002
_cell_length_c 10.16174457
_cell_angle_alpha 107.81864797
_cell_angle_beta 90.88685677000001
_cell_angle_gamma 91.4144918... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Tc
_chemical_formula_sum "Li9 Mn2 Co5 O16 Tc1"
_cell_length_a 2.943337
_cell_length_b 10.048640040000002
_cell_length_c 10.16174457
_cell_angle_alpha 107.81864797
_cell_angle_beta 90.88685677000001
_cell_angle_gamma 91.4... |
InsertBetweenAtomsAction | 9f4507f9-214d-4440-9c8a-b5f3071ebd81 | mp-550300 | Insert a At atom in the line between atoms at indices 12 and 3, and the inserted atom must be 5.15 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural RbNa7Co2O6
_chemical_formula_sum "Rb1 Na7 Co2 O6"
_cell_length_a 5.87513627
_cell_length_b 5.87513627
_cell_length_c 10.814337349999999
_cell_angle_alpha 88.75479323
_cell_angle_beta 88.75479323
_cell_angle_gamma 44.360227630000004
... | data_image0
_chemical_formula_structural RbNa7Co2O6At
_chemical_formula_sum "Rb1 Na7 Co2 O6 At1"
_cell_length_a 5.87513627
_cell_length_b 5.87513627
_cell_length_c 10.814337349999999
_cell_angle_alpha 88.75479323
_cell_angle_beta 88.75479323
_cell_angle_gamma 44.3602276300... |
InsertBetweenAtomsAction | 06815678-c872-4f25-a816-51e83f06f956 | mp-1208371 | Insert a Au atom in the line between atoms at indices 16 and 1, and the inserted atom must be 5.83 angstrom from atom at 16 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 Tl4N8Cl20O4Au
_chemical_formula_sum "Tl4 N8 Cl20 O4 Au1"
_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 | f05a8d6f-32e6-4e86-8681-8f9227ee7c10 | mp-757215 | Insert a Pr atom in the line between atoms at indices 9 and 2, and the inserted atom must be 3.06 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Gd5As2O12
_chemical_formula_sum "Gd5 As2 O12"
_cell_length_a 6.89701519
_cell_length_b 6.89701519
_cell_length_c 7.3787781
_cell_angle_alpha 74.46528271
_cell_angle_beta 74.46528271
_cell_angle_gamma 51.11359275000001
_space_group_... | data_image0
_chemical_formula_structural Gd5As2O12Pr
_chemical_formula_sum "Gd5 As2 O12 Pr1"
_cell_length_a 6.89701519
_cell_length_b 6.89701519
_cell_length_c 7.3787781
_cell_angle_alpha 74.46528271
_cell_angle_beta 74.46528271
_cell_angle_gamma 51.11359275000001
_space_... |
InsertBetweenAtomsAction | 903ebb17-329c-4301-83d7-e9253cbbff74 | mp-22244 | Insert a Fl atom in the line between atoms at indices 1 and 7, and the inserted atom must be 0.81 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Gd2Cr2O8
_chemical_formula_sum "Gd2 Cr2 O8"
_cell_length_a 5.98567858
_cell_length_b 5.985658249999999
_cell_length_c 5.985555230000001
_cell_angle_alpha 106.16209605
_cell_angle_beta 106.16227016999999
_cell_angle_gamma 116.3140512... | data_image0
_chemical_formula_structural Gd2Cr2O8Fl
_chemical_formula_sum "Gd2 Cr2 O8 Fl1"
_cell_length_a 5.98567858
_cell_length_b 5.985658249999999
_cell_length_c 5.985555230000001
_cell_angle_alpha 106.16209605
_cell_angle_beta 106.16227016999999
_cell_angle_gamma 116.3... |
InsertBetweenAtomsAction | 1c593401-488d-42e9-b0cc-25e83cff3def | mp-643934 | Insert a Ta atom in the line between atoms at indices 5 and 17, and the inserted atom must be 2.47 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cu2H4C4O8
_chemical_formula_sum "Cu2 H4 C4 O8"
_cell_length_a 7.982289
_cell_length_b 6.326653
_cell_length_c 8.09958624
_cell_angle_alpha 78.7284835
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cu2H4C4O8Ta
_chemical_formula_sum "Cu2 H4 C4 O8 Ta1"
_cell_length_a 7.982289
_cell_length_b 6.326653
_cell_length_c 8.09958624
_cell_angle_alpha 78.7284835
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 50fd37ac-e8c1-46e1-8983-efd4dfaf48e1 | mp-1667139 | Insert a Lr atom in the line between atoms at indices 36 and 47, and the inserted atom must be 0.34 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28Lr
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28 Lr1"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.9860... |
InsertBetweenAtomsAction | cb3ec5c0-05c0-405e-abc4-476947b9f827 | mp-1508 | Insert a Ba atom in the line between atoms at indices 14 and 7, and the inserted atom must be 8.85 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural La8S16Ba
_chemical_formula_sum "La8 S16 Ba1"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | 1e8933a6-bca5-4175-b39c-690d4da9aa94 | mp-759889 | Insert a Ba atom in the line between atoms at indices 37 and 14, and the inserted atom must be 1.71 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 9.01812527
_cell_length_b 9.01812527
_cell_length_c 9.862150509999998
_cell_angle_alpha 56.81618735
_cell_angle_beta 56.816187349999986
_cell_angle_gamma 71.85790404
_... | data_image0
_chemical_formula_structural Li8V4C8O24Ba
_chemical_formula_sum "Li8 V4 C8 O24 Ba1"
_cell_length_a 9.01812527
_cell_length_b 9.01812527
_cell_length_c 9.862150509999998
_cell_angle_alpha 56.81618735
_cell_angle_beta 56.816187349999986
_cell_angle_gamma 71.85790... |
InsertBetweenAtomsAction | c514cf6d-7f03-463c-9d08-1fec4bd37761 | mp-29249 | Insert a Ga atom in the line between atoms at indices 9 and 2, and the inserted atom must be 3.11 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 Ge8As8Se8Ga
_chemical_formula_sum "Ge8 As8 Se8 Ga1"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 8c2e63a7-b01d-451b-90c3-4af4c12be64e | mp-1178619 | Insert a Kr atom in the line between atoms at indices 26 and 22, and the inserted atom must be 3.11 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl8O32Kr
_chemical_formula_sum "Zr2 Cl8 O32 Kr1"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_spac... |
InsertBetweenAtomsAction | 24212c21-6c22-4c34-b089-8d924ecfc24c | mp-1072993 | Insert a Ca atom in the line between atoms at indices 5 and 0, and the inserted atom must be 2.30 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.42959707
_cell_length_b 5.429597070000001
_cell_length_c 18.53523443
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_gamma 41.3923071800000... | data_image0
_chemical_formula_structural Mg8Si12Ca
_chemical_formula_sum "Mg8 Si12 Ca1"
_cell_length_a 5.42959707
_cell_length_b 5.429597070000001
_cell_length_c 18.53523443
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_gamma 41.3923071... |
InsertBetweenAtomsAction | abbe8a51-8b2a-48a9-a753-17448153769e | mp-776005 | Insert a Th atom in the line between atoms at indices 8 and 9, and the inserted atom must be 1.59 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li4FeBiTe2O12
_chemical_formula_sum "Li4 Fe1 Bi1 Te2 O12"
_cell_length_a 5.24111
_cell_length_b 5.499534170000001
_cell_length_c 7.6237615
_cell_angle_alpha 86.09602721999998
_cell_angle_beta 89.98108368
_cell_angle_gamma 89.7893311... | data_image0
_chemical_formula_structural Li4FeBiTe2O12Th
_chemical_formula_sum "Li4 Fe1 Bi1 Te2 O12 Th1"
_cell_length_a 5.24111
_cell_length_b 5.499534170000001
_cell_length_c 7.6237615
_cell_angle_alpha 86.09602721999998
_cell_angle_beta 89.98108368
_cell_angle_gamma 89.7... |
InsertBetweenAtomsAction | 7e0b2b73-8b3e-4fe6-9ed6-11a61d0e6d8b | mp-723254 | Insert a Rb atom in the line between atoms at indices 55 and 9, and the inserted atom must be 3.68 angstrom from atom at 55 in the cif file. | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma 119.76... | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48Rb
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48 Rb1"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 30da53e4-2ca1-4bea-8ad0-8cd78b3e1ee0 | mp-1112440 | Insert a Br atom in the line between atoms at indices 3 and 9, and the inserted atom must be 2.32 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K2AlAuCl6
_chemical_formula_sum "K2 Al1 Au1 Cl6"
_cell_length_a 7.1909408
_cell_length_b 7.1909408
_cell_length_c 7.1909408
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2AlAuCl6Br
_chemical_formula_sum "K2 Al1 Au1 Cl6 Br1"
_cell_length_a 7.1909408
_cell_length_b 7.1909408
_cell_length_c 7.1909408
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | c1c58dcb-eb2f-4e62-970b-38425084e1ba | mp-1224356 | Insert a K atom in the line between atoms at indices 7 and 2, and the inserted atom must be 2.17 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural Ge5Te4SeK
_chemical_formula_sum "Ge5 Te4 Se1 K1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.... |
InsertBetweenAtomsAction | 7aa01499-633a-4df0-bdca-deb3bcd38d99 | mp-1147652 | Insert a F atom in the line between atoms at indices 12 and 7, and the inserted atom must be 1.27 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ho2Mn4O8
_chemical_formula_sum "Ho2 Mn4 O8"
_cell_length_a 6.46878885
_cell_length_b 6.46878885
_cell_length_c 6.252995219999999
_cell_angle_alpha 61.512189039999996
_cell_angle_beta 61.512189039999996
_cell_angle_gamma 57.256611459... | data_image0
_chemical_formula_structural Ho2Mn4O8F
_chemical_formula_sum "Ho2 Mn4 O8 F1"
_cell_length_a 6.46878885
_cell_length_b 6.46878885
_cell_length_c 6.252995219999999
_cell_angle_alpha 61.512189039999996
_cell_angle_beta 61.512189039999996
_cell_angle_gamma 57.25661... |
InsertBetweenAtomsAction | 5e2f448c-f895-4715-b4d4-90a94bfce95d | mp-770592 | Insert a Au atom in the line between atoms at indices 17 and 6, and the inserted atom must be 1.60 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_space_group... | data_image0
_chemical_formula_structural Mn8P4O20Au
_chemical_formula_sum "Mn8 P4 O20 Au1"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_space... |
InsertBetweenAtomsAction | 744c6ff2-ff32-4e0f-8311-ade9dd2b4b35 | mp-758001 | Insert a Cu atom in the line between atoms at indices 33 and 21, and the inserted atom must be 2.05 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Li8V4C4O20
_chemical_formula_sum "Li8 V4 C4 O20"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_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 Li8V4C4O20Cu
_chemical_formula_sum "Li8 V4 C4 O20 Cu1"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_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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