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 |
|---|---|---|---|---|---|
ChangeAtomAction | 3e238207-4da0-4e77-aad3-41fa3d7b8526 | mp-556173 | Change the atom at index 30 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... | data_image0
_chemical_formula_structural ZnAs2C6S12N9CfN2O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N11 Cf1 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000... |
ChangeAtomAction | 7d606ec7-d08e-4e95-af71-7a03cd7cdb70 | mp-1205485 | Change the atom at index 3 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc2CrReO6
_chemical_formula_sum "Sc2 Cr1 Re1 O6"
_cell_length_a 5.47141408
_cell_length_b 5.47141408
_cell_length_c 5.471414079999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Sc2CrNaO6
_chemical_formula_sum "Sc2 Cr1 Na1 O6"
_cell_length_a 5.47141408
_cell_length_b 5.47141408
_cell_length_c 5.471414079999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... |
ChangeAtomAction | 82d76029-afed-4433-a395-ae222c45fd02 | mp-1245698 | Change the atom at index 6 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn4Cr4N8
_chemical_formula_sum "Zn4 Cr4 N8"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 Zn4Cr2NCrN8
_chemical_formula_sum "Zn4 Cr3 N9"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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... |
ChangeAtomAction | 282ebd08-3eb4-46c6-933b-672c0bae8160 | mp-1340075 | Change the atom at index 12 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaNi2P4O14
_chemical_formula_sum "Ca1 Ni2 P4 O14"
_cell_length_a 6.445585
_cell_length_b 6.60223161
_cell_length_c 6.78733247
_cell_angle_alpha 114.17319242
_cell_angle_beta 87.59499806
_cell_angle_gamma 96.91312793999998
_space_gr... | data_image0
_chemical_formula_structural CaNi2P4O5LuO8
_chemical_formula_sum "Ca1 Ni2 P4 O13 Lu1"
_cell_length_a 6.445585
_cell_length_b 6.60223161
_cell_length_c 6.78733247
_cell_angle_alpha 114.17319242
_cell_angle_beta 87.59499806
_cell_angle_gamma 96.91312793999998
_s... |
ChangeAtomAction | 7eeb4acd-3e9f-40ad-ba47-c9fb0b6abf3b | mp-1201234 | Change the atom at index 35 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu4H32S12O40
_chemical_formula_sum "Cu4 H32 S12 O40"
_cell_length_a 20.699305
_cell_length_b 7.209669
_cell_length_c 7.899798069999999
_cell_angle_alpha 61.95298367
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu4H31AtS12O40
_chemical_formula_sum "Cu4 H31 At1 S12 O40"
_cell_length_a 20.699305
_cell_length_b 7.209669
_cell_length_c 7.899798069999999
_cell_angle_alpha 61.95298367
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
ChangeAtomAction | d9064c11-8d16-4140-a6a5-8c6262f79e08 | mp-1173581 | Change the atom at index 25 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Ti8P8OHgO38
_chemical_formula_sum "Na8 Ti8 P8 O39 Hg1"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | 6a55c63b-1c27-4591-bc18-7cd634713325 | mp-557500 | Change the atom at index 5 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2SOgS4
_chemical_formula_sum "Li1 Ni1 P2 S5 Og1"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_sp... |
ChangeAtomAction | 7178acaf-39d5-4739-8191-9a0f69bc5ed1 | mp-1214002 | Change the atom at index 21 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce3P6Pd12RbPd7
_chemical_formula_sum "Ce3 P6 Pd19 Rb1"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.0301374... |
ChangeAtomAction | 97173efa-d0c7-4fcb-93ae-9146e78b6162 | mp-1523308 | Change the atom at index 17 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_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 Ba4Sr4Gd4Sb4OMcO22
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O23 Mc1"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | 6865c9e1-5adf-4dad-b034-8ae7ac4f46a4 | mp-566278 | Change the atom at index 4 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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_num... | data_image0
_chemical_formula_structural W4PO11
_chemical_formula_sum "W4 P1 O11"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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... |
ChangeAtomAction | 62f1dacb-6263-4459-a772-a7872e637f83 | mp-849652 | Change the atom at index 2 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Ti2Cu3O10
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_sp... | data_image0
_chemical_formula_structural Li2NiTi2Cu3O10
_chemical_formula_sum "Li2 Ni1 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.2634979... |
ChangeAtomAction | 8ddb6aa3-4f3f-4d63-a08d-2954d40de6ae | mp-1103082 | Change the atom at index 6 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm2Co6Ni2B2
_chemical_formula_sum "Sm2 Co6 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm2Co4MgCoNi2B2
_chemical_formula_sum "Sm2 Co5 Mg1 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M... |
ChangeAtomAction | 3b075820-8dc6-491a-85bf-79890cfa1484 | mp-554185 | Change the atom at index 81 into Ac in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al16P16O64
_chemical_formula_sum "Al16 P16 O64"
_cell_length_a 13.383214
_cell_length_b 13.383214
_cell_length_c 14.232741730000003
_cell_angle_alpha 82.59023077999998
_cell_angle_beta 82.59023077999998
_cell_angle_gamma 62.55849402... | data_image0
_chemical_formula_structural Al16P16O49AcO14
_chemical_formula_sum "Al16 P16 O63 Ac1"
_cell_length_a 13.383214
_cell_length_b 13.383214
_cell_length_c 14.232741730000003
_cell_angle_alpha 82.59023077999998
_cell_angle_beta 82.59023077999998
_cell_angle_gamma 62... |
ChangeAtomAction | 8aa3873a-c6aa-4aea-a8f8-1d97deb2e6ea | mp-757246 | Change the atom at index 1 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ti6V2O16
_chemical_formula_sum "Li4 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
... | data_image0
_chemical_formula_structural LiNbLi2Ti6V2O16
_chemical_formula_sum "Li3 Nb1 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68... |
ChangeAtomAction | dfc3067b-5867-46ee-a925-7bc9df43979a | mp-1516711 | Change the atom at index 8 into Cm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_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 Sr8CmSm3Nb4O24
_chemical_formula_sum "Sr8 Cm1 Sm3 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 7cd79546-db3a-48f1-a5f8-2ecd7880912e | mp-1236137 | Change the atom at index 1 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiY4Bi4O12
_chemical_formula_sum "Li1 Y4 Bi4 O12"
_cell_length_a 5.96680956
_cell_length_b 6.0726233800000005
_cell_length_c 9.440687
_cell_angle_alpha 92.39237984999998
_cell_angle_beta 88.64828208
_cell_angle_gamma 94.05135863
_s... | data_image0
_chemical_formula_structural LiTeY3Bi4O12
_chemical_formula_sum "Li1 Te1 Y3 Bi4 O12"
_cell_length_a 5.96680956
_cell_length_b 6.0726233800000005
_cell_length_c 9.440687
_cell_angle_alpha 92.39237984999998
_cell_angle_beta 88.64828208
_cell_angle_gamma 94.051358... |
ChangeAtomAction | b5c1c5e4-afbb-4666-88bb-260a31e11d74 | mp-771159 | Change the atom at index 27 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O15Np
_chemical_formula_sum "Li4 V6 W2 O15 Np1"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma ... |
ChangeAtomAction | 195d8452-bb96-4c37-bf33-a9551f7fa1dc | mp-505712 | Change the atom at index 8 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se2CnSe3
_chemical_formula_sum "Cs2 Ho2 Zn2 Se5 Cn1"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_g... |
ChangeAtomAction | 122e836e-4fb5-4065-ba30-e93bcbed60a7 | mp-1193265 | Change the atom at index 6 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_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 Na6CeNa5Sb4Se12
_chemical_formula_sum "Na11 Ce1 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | d38a6d41-ec3b-49d0-9045-85d226e04cfa | mp-1191147 | Change the atom at index 18 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm2Fe12P7
_chemical_formula_sum "Sm2 Fe12 P7"
_cell_length_a 9.02490835
_cell_length_b 9.02490835
_cell_length_c 3.659076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sm2Fe12P4ClP2
_chemical_formula_sum "Sm2 Fe12 P6 Cl1"
_cell_length_a 9.02490835
_cell_length_b 9.02490835
_cell_length_c 3.659076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_H-M_alt... |
ChangeAtomAction | b7f7b8af-4442-47db-8899-836772b29aa2 | mp-2236954 | Change the atom at index 4 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_space_gro... | data_image0
_chemical_formula_structural Co4TeCoO6F6
_chemical_formula_sum "Co5 Te1 O6 F6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_s... |
ChangeAtomAction | 6c35e8b0-af7c-474e-8b6b-bae528687b09 | mp-1032565 | Change the atom at index 7 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_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 Mg6ZnMnO8
_chemical_formula_sum "Mg6 Zn1 Mn1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | 472d6511-e85e-4837-bd50-c0c8c4e57e8a | mp-1079659 | Change the atom at index 9 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_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 Ta2B4Mo3Mt
_chemical_formula_sum "Ta2 B4 Mo3 Mt1"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
ChangeAtomAction | 14945bbe-4f82-48c5-9e01-5ad9992e7f07 | mp-753901 | Change the atom at index 3 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er4Cu2O8
_chemical_formula_sum "Er4 Cu2 O8"
_cell_length_a 6.48362809
_cell_length_b 6.483628090000001
_cell_length_c 5.467002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.09180630999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Er3TiCu2O8
_chemical_formula_sum "Er3 Ti1 Cu2 O8"
_cell_length_a 6.48362809
_cell_length_b 6.483628090000001
_cell_length_c 5.467002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.09180630999998
_space_group_nam... |
ChangeAtomAction | a4a793ee-a61f-4837-b467-f4497b68ce08 | mp-863373 | Change the atom at index 42 into Ag in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Co12P12O48
_chemical_formula_sum "Li12 Co12 P12 O48"
_cell_length_a 7.521903
_cell_length_b 8.49533
_cell_length_c 16.88228373
_cell_angle_alpha 60.10124674000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Li12Co12P12O6AgO41
_chemical_formula_sum "Li12 Co12 P12 O47 Ag1"
_cell_length_a 7.521903
_cell_length_b 8.49533
_cell_length_c 16.88228373
_cell_angle_alpha 60.10124674000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
ChangeAtomAction | 8fe9c2e8-a298-4596-98ad-0c773404fa2c | mp-31691 | Change the atom at index 7 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 7.95490816
_cell_length_b 7.954908499999999
_cell_length_c 10.48992031
_cell_angle_alpha 88.26967111
_cell_angle_beta 91.73033275
_cell_angle_gamma 65.44205188999999
... | data_image0
_chemical_formula_structural Li4Cr3CuP8O28
_chemical_formula_sum "Li4 Cr3 Cu1 P8 O28"
_cell_length_a 7.95490816
_cell_length_b 7.954908499999999
_cell_length_c 10.48992031
_cell_angle_alpha 88.26967111
_cell_angle_beta 91.73033275
_cell_angle_gamma 65.442051889... |
ChangeAtomAction | ddbada3b-2d5f-4431-8432-9fcc522d4e4c | mp-1233765 | Change the atom at index 9 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH8NdH11Br4N4O4
_chemical_formula_sum "Mg1 H19 Nd1 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.7723... |
ChangeAtomAction | 2e4c9c58-c9ca-4979-9ff6-c20ecfc2ba2c | mp-1104062 | Change the atom at index 9 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sr2Ga4Se3ErSe4
_chemical_formula_sum "Sr2 Ga4 Se7 Er1"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_na... |
ChangeAtomAction | edc686c7-1211-4a8a-ba08-57863742de15 | mp-1223078 | Change the atom at index 0 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... | data_image0
_chemical_formula_structural SLa3PtO7
_chemical_formula_sum "S1 La3 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_n... |
ChangeAtomAction | f8a8501a-8f2f-4ff1-93c8-8b131f933ebf | mp-1079383 | Change the atom at index 9 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ce4In2Cu3Pt
_chemical_formula_sum "Ce4 In2 Cu3 Pt1"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
ChangeAtomAction | daa9c936-33c5-4eeb-a516-b4c6614f1215 | mp-753944 | Change the atom at index 2 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn6O10F6
_chemical_formula_sum "Li8 Mn6 O10 F6"
_cell_length_a 2.933047
_cell_length_b 15.76265863
_cell_length_c 6.733708979999999
_cell_angle_alpha 90.22832932
_cell_angle_beta 77.42159341
_cell_angle_gamma 90.00017755
_space_... | data_image0
_chemical_formula_structural Li2ReLi5Mn6O10F6
_chemical_formula_sum "Li7 Re1 Mn6 O10 F6"
_cell_length_a 2.933047
_cell_length_b 15.76265863
_cell_length_c 6.733708979999999
_cell_angle_alpha 90.22832932
_cell_angle_beta 77.42159341
_cell_angle_gamma 90.00017755... |
ChangeAtomAction | 1ab9ec87-70f7-49f4-81b0-0f3e2af2d84f | mp-557540 | Change the atom at index 11 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Ag4Sb4S16
_chemical_formula_sum "Rb8 Ag4 Sb4 S16"
_cell_length_a 10.992473
_cell_length_b 8.381543
_cell_length_c 13.37265562
_cell_angle_alpha 52.668803270000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Rb8Ag3SnSb4S16
_chemical_formula_sum "Rb8 Ag3 Sn1 Sb4 S16"
_cell_length_a 10.992473
_cell_length_b 8.381543
_cell_length_c 13.37265562
_cell_angle_alpha 52.668803270000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
ChangeAtomAction | 983dc123-b089-4c9c-8b6e-c7a6352a882d | mp-1239127 | Change the atom at index 5 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Hf4CrMnCr2Cu4S16
_chemical_formula_sum "Hf4 Cr3 Mn1 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 7f3f36ae-f78c-42e9-8fc2-c412b02104ad | mp-2215902 | Change the atom at index 3 into Tm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCu2Rh4O8
_chemical_formula_sum "Mg1 Cu2 Rh4 O8"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_spac... | data_image0
_chemical_formula_structural MgCu2TmRh3O8
_chemical_formula_sum "Mg1 Cu2 Tm1 Rh3 O8"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
... |
ChangeAtomAction | 7e4486c5-4c22-46dc-9ce0-84954c8a8acf | mp-21286 | Change the atom at index 10 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn4Co4Ge2AsGe
_chemical_formula_sum "Mn4 Co4 Ge3 As1"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | 8830270d-8f60-4684-8eba-caab37df23fe | mp-770748 | Change the atom at index 25 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 Gd12Ta4O9CfO18
_chemical_formula_sum "Gd12 Ta4 O27 Cf1"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 797f5fd0-6397-49ce-8494-097b18e6ad50 | mp-1212973 | Change the atom at index 4 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... | data_image0
_chemical_formula_structural Eu3TiPO7
_chemical_formula_sum "Eu3 Ti1 P1 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006... |
ChangeAtomAction | 32b20543-af0a-446a-8a3a-962e1883b32b | mp-1181553 | Change the atom at index 14 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy10Tl6
_chemical_formula_sum "Dy10 Tl6"
_cell_length_a 8.95511876
_cell_length_b 8.95525361
_cell_length_c 6.647105889999999
_cell_angle_alpha 90.00000222
_cell_angle_beta 89.99999846
_cell_angle_gamma 120.00027852
_space_group_na... | data_image0
_chemical_formula_structural Dy10Tl4ZnTl
_chemical_formula_sum "Dy10 Tl5 Zn1"
_cell_length_a 8.95511876
_cell_length_b 8.95525361
_cell_length_c 6.647105889999999
_cell_angle_alpha 90.00000222
_cell_angle_beta 89.99999846
_cell_angle_gamma 120.00027852
_space_... |
ChangeAtomAction | eeaa4718-3250-4ae8-bd2c-3170636be24b | mp-1193684 | Change the atom at index 22 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe6Si4O18
_chemical_formula_sum "Fe6 Si4 O18"
_cell_length_a 5.29336253
_cell_length_b 5.2933625300000005
_cell_length_c 14.47968119
_cell_angle_alpha 89.37314443
_cell_angle_beta 89.37314443
_cell_angle_gamma 119.26640457000002
_s... | data_image0
_chemical_formula_structural Fe6Si4O12CfO5
_chemical_formula_sum "Fe6 Si4 O17 Cf1"
_cell_length_a 5.29336253
_cell_length_b 5.2933625300000005
_cell_length_c 14.47968119
_cell_angle_alpha 89.37314443
_cell_angle_beta 89.37314443
_cell_angle_gamma 119.2664045700... |
ChangeAtomAction | 1710fbd7-dc32-4cbb-af90-72122c3d4417 | mp-23792 | Change the atom at index 28 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O14CrO3
_chemical_formula_sum "Na2 Ca4 Si6 H2 O17 Cr1"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.448830529... |
ChangeAtomAction | 9ab1c4af-30ea-407f-9cfd-1855bbf7899b | mp-613 | Change the atom at index 8 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Te4Pd4CnPd
_chemical_formula_sum "Te4 Pd5 Cn1"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_a... |
ChangeAtomAction | 66062198-f59a-4d3c-8c21-1023943046c2 | mp-1194067 | Change the atom at index 26 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... | data_image0
_chemical_formula_structural Na2Ni2H8S2O12GaF
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 Ga1 F1"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_... |
ChangeAtomAction | 6bec0065-512b-4b4a-a6cd-aeca06ee6553 | mp-1228692 | Change the atom at index 52 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaCaZr8P12O48
_chemical_formula_sum "Ba1 Ca1 Zr8 P12 O48"
_cell_length_a 8.917607
_cell_length_b 9.36286206
_cell_length_c 12.9291506
_cell_angle_alpha 93.81950518
_cell_angle_beta 90.00062041
_cell_angle_gamma 90.00663963
_space_g... | data_image0
_chemical_formula_structural BaCaZr8P12O30CdO17
_chemical_formula_sum "Ba1 Ca1 Zr8 P12 O47 Cd1"
_cell_length_a 8.917607
_cell_length_b 9.36286206
_cell_length_c 12.9291506
_cell_angle_alpha 93.81950518
_cell_angle_beta 90.00062041
_cell_angle_gamma 90.00663963
... |
ChangeAtomAction | e89d6789-9090-471d-a298-16924c1344e2 | mp-2217543 | Change the atom at index 0 into Ts in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... | data_image0
_chemical_formula_structural TsCoP2O7
_chemical_formula_sum "Ts1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... |
ChangeAtomAction | 593e35a3-7b7b-4dc0-908e-9a8eb25eb665 | mp-1204580 | Change the atom at index 18 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd2H12S2N2O20
_chemical_formula_sum "Nd2 H12 S2 N2 O20"
_cell_length_a 6.15457797
_cell_length_b 6.97092337
_cell_length_c 8.92426997
_cell_angle_alpha 90.0
_cell_angle_beta 93.69777155
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nd2H12S2N2HeO19
_chemical_formula_sum "Nd2 H12 S2 N2 He1 O19"
_cell_length_a 6.15457797
_cell_length_b 6.97092337
_cell_length_c 8.92426997
_cell_angle_alpha 90.0
_cell_angle_beta 93.69777155
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | 92dee749-d0e5-415d-9a3c-5db81804cb3d | mp-1041307 | Change the atom at index 9 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho2Zn2W4O12
_chemical_formula_sum "Ho2 Zn2 W4 O12"
_cell_length_a 5.507471
_cell_length_b 5.837335
_cell_length_c 7.87867697
_cell_angle_alpha 87.8951239
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ho2Zn2W4ORhO10
_chemical_formula_sum "Ho2 Zn2 W4 O11 Rh1"
_cell_length_a 5.507471
_cell_length_b 5.837335
_cell_length_c 7.87867697
_cell_angle_alpha 87.8951239
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | 4ba22dc5-0298-40af-bfa0-d14dd6f4188c | mp-758242 | Change the atom at index 33 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... | data_image0
_chemical_formula_structural Li2P6W4O21VO2
_chemical_formula_sum "Li2 P6 W4 O23 V1"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288... |
ChangeAtomAction | 53d4b936-9f44-4ea4-b201-6411d4aa62ed | mp-1209592 | Change the atom at index 27 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural P8O19LuO4
_chemical_formula_sum "P8 O23 Lu1"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | d32343e7-0c25-48c9-af99-e1e2c13dc7cd | mp-600520 | Change the atom at index 19 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2Cu2H8C7CuO16
_chemical_formula_sum "Sr2 Cu3 H8 C7 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | 55f69b7f-d539-45c9-8d2e-13cc8fa76286 | mp-768946 | Change the atom at index 15 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li8Cr6CoPuO16
_chemical_formula_sum "Li8 Cr6 Co1 Pu1 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_spac... |
ChangeAtomAction | f24141ca-ec84-4cf8-abd6-0dcf073c68f7 | mp-1233765 | Change the atom at index 29 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH20Br4N4AtO3
_chemical_formula_sum "Mg1 H20 Br4 N4 At1 O3"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.772341... |
ChangeAtomAction | eec3faab-30fe-469a-a747-eeb6a8633739 | mp-1638898 | Change the atom at index 1 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe2P2H2O10
_chemical_formula_sum "Li4 Fe2 P2 H2 O10"
_cell_length_a 5.43196326
_cell_length_b 5.52898179
_cell_length_c 7.60347552
_cell_angle_alpha 108.45345149000002
_cell_angle_beta 110.28523021999999
_cell_angle_gamma 93.8252... | data_image0
_chemical_formula_structural LiPoLi2Fe2P2H2O10
_chemical_formula_sum "Li3 Po1 Fe2 P2 H2 O10"
_cell_length_a 5.43196326
_cell_length_b 5.52898179
_cell_length_c 7.60347552
_cell_angle_alpha 108.45345149000002
_cell_angle_beta 110.28523021999999
_cell_angle_gamma ... |
ChangeAtomAction | 4fb00b1a-bcbb-446c-ab2c-12d78fa44b0d | mp-1522800 | Change the atom at index 6 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaEuHfWO6
_chemical_formula_sum "Ca1 Eu1 Hf1 W1 O6"
_cell_length_a 5.79275101
_cell_length_b 5.792751009999999
_cell_length_c 5.792751009999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural CaEuHfWO2ZrO3
_chemical_formula_sum "Ca1 Eu1 Hf1 W1 O5 Zr1"
_cell_length_a 5.79275101
_cell_length_b 5.792751009999999
_cell_length_c 5.792751009999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angl... |
ChangeAtomAction | e8e4d5a7-87bc-4fe8-b550-fcba5cf2249a | mp-696283 | Change the atom at index 22 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... | data_image0
_chemical_formula_structural H8S8N6AtN5O2
_chemical_formula_sum "H8 S8 N11 At1 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_gro... |
ChangeAtomAction | 1775df2a-0666-447b-8251-cd2b1d7b5ad2 | mp-2898998 | Change the atom at index 8 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Mn4O8
_chemical_formula_sum "Ca2 Mn4 O8"
_cell_length_a 6.76146264
_cell_length_b 6.76146264
_cell_length_c 10.40359285
_cell_angle_alpha 56.1154693
_cell_angle_beta 56.115469299999994
_cell_angle_gamma 24.612645530000012
_space... | data_image0
_chemical_formula_structural Ca2Mn4O2PuO5
_chemical_formula_sum "Ca2 Mn4 O7 Pu1"
_cell_length_a 6.76146264
_cell_length_b 6.76146264
_cell_length_c 10.40359285
_cell_angle_alpha 56.1154693
_cell_angle_beta 56.115469299999994
_cell_angle_gamma 24.612645530000012... |
ChangeAtomAction | da7ec8da-7fb6-4393-af23-f99ad333b75c | mp-1200470 | Change the atom at index 39 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Co8Sn26
_chemical_formula_sum "Ca6 Co8 Sn26"
_cell_length_a 9.639199
_cell_length_b 9.639199
_cell_length_c 9.639199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Ca6Co8Sn25U
_chemical_formula_sum "Ca6 Co8 Sn25 U1"
_cell_length_a 9.639199
_cell_length_b 9.639199
_cell_length_c 9.639199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
ChangeAtomAction | a0718d2a-f7c7-49e5-b22c-c1893b7fed34 | mp-1208510 | Change the atom at index 13 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2YFe3O8
_chemical_formula_sum "Sr2 Y1 Fe3 O8"
_cell_length_a 3.90931
_cell_length_b 3.90931
_cell_length_c 11.948726
_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 Sr2YFe3O7Nb
_chemical_formula_sum "Sr2 Y1 Fe3 O7 Nb1"
_cell_length_a 3.90931
_cell_length_b 3.90931
_cell_length_c 11.948726
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | a283f7b6-d932-4b43-aa84-12e2d1837ee0 | mp-1195087 | Change the atom at index 16 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_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 Tl16YPb3Se12
_chemical_formula_sum "Tl16 Y1 Pb3 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 1385c65f-d0fa-4bd4-9704-b15ed658790b | mp-5861 | Change the atom at index 4 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm8Fe56B4
_chemical_formula_sum "Tm8 Fe56 B4"
_cell_length_a 8.709902
_cell_length_b 8.709902
_cell_length_c 11.818414
_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 Tm4DbTm3Fe56B4
_chemical_formula_sum "Tm7 Db1 Fe56 B4"
_cell_length_a 8.709902
_cell_length_b 8.709902
_cell_length_c 11.818414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 17c0a811-b534-443d-b74a-6579c690a069 | mp-1199296 | Change the atom at index 10 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd5P12Ru19
_chemical_formula_sum "Gd5 P12 Ru19"
_cell_length_a 12.47882132
_cell_length_b 12.47876775
_cell_length_c 3.97836817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99985794
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Gd5P5PoP6Ru19
_chemical_formula_sum "Gd5 P11 Po1 Ru19"
_cell_length_a 12.47882132
_cell_length_b 12.47876775
_cell_length_c 3.97836817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99985794
_space_group_name_H-... |
ChangeAtomAction | 0f87449e-78f5-452f-8bf3-63048184daef | mp-1213886 | Change the atom at index 53 into Og in the cif file. The indices of atoms are started from 0. | 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 Ce8Tl8F37OgF2
_chemical_formula_sum "Ce8 Tl8 F39 Og1"
_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_nam... |
ChangeAtomAction | a6f5cab9-5e61-48e0-9988-d6985105ba70 | mp-1104546 | Change the atom at index 10 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B6Mo2NbMo3
_chemical_formula_sum "Co2 B6 Mo5 Nb1"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_gro... |
ChangeAtomAction | 66d9288c-3225-42dd-97ce-fb27f51d2c72 | mp-1644899 | Change the atom at index 23 into B in the cif file. The indices of atoms are started from 0. | 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 Li6V4C8O5BO18
_chemical_formula_sum "Li6 V4 C8 O23 B1"
_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... |
ChangeAtomAction | dad4c0b7-f182-407a-be4f-3c6ed65b769b | mp-1247503 | Change the atom at index 0 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 PtMn3Cu2N4
_chemical_formula_sum "Pt1 Mn3 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
ChangeAtomAction | 4842f98f-81bf-4a7e-8d95-df84131f0e4c | mp-1033104 | Change the atom at index 10 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6AlZnO8
_chemical_formula_sum "Mg6 Al1 Zn1 O8"
_cell_length_a 8.5797983
_cell_length_b 4.30447278
_cell_length_c 4.30447278
_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 Mg6AlZnO2BrO5
_chemical_formula_sum "Mg6 Al1 Zn1 O7 Br1"
_cell_length_a 8.5797983
_cell_length_b 4.30447278
_cell_length_c 4.30447278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 7f022f5b-e36a-492b-b667-7e25fccb8aac | mp-1019708 | Change the atom at index 46 into Ac in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O26AcO
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O27 Ac1"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
ChangeAtomAction | b41b91f3-bd6d-48e2-91b8-c98a307a093b | mp-780331 | Change the atom at index 13 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.107436
_cell_length_b 11.530895760000002
_cell_length_c 6.081616399999999
_cell_angle_alpha 90.04130526
_cell_angle_beta 89.99877151
_cell_angle_gamma 89.99512489
... | data_image0
_chemical_formula_structural Li4Mn4P4ONdO14
_chemical_formula_sum "Li4 Mn4 P4 O15 Nd1"
_cell_length_a 5.107436
_cell_length_b 11.530895760000002
_cell_length_c 6.081616399999999
_cell_angle_alpha 90.04130526
_cell_angle_beta 89.99877151
_cell_angle_gamma 89.995... |
ChangeAtomAction | 64d54ce8-f1b0-470d-8e30-8ecc109cfb3c | mp-540267 | Change the atom at index 15 into Pa in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O9PaO4
_chemical_formula_sum "Cr2 P4 O13 Pa1"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_... |
ChangeAtomAction | 7bd45cf1-a38a-498c-96dc-38ef835e5d18 | mp-1147737 | Change the atom at index 6 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnPNiS8
_chemical_formula_sum "Li4 Zn1 P1 Ni1 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_spac... |
ChangeAtomAction | 05cfccb0-51be-4891-9a94-8a7da4301b6f | mp-1193573 | Change the atom at index 27 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... | data_image0
_chemical_formula_structural Eu2Ni18Ge7As
_chemical_formula_sum "Eu2 Ni18 Ge7 As1"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445... |
ChangeAtomAction | 4c7b95a6-69e3-401c-afcb-b1d10ad1df22 | mp-755181 | Change the atom at index 12 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F3McF3
_chemical_formula_sum "V4 O5 F6 Mc1"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_gro... |
ChangeAtomAction | e5cb6087-94f5-4aa8-9045-033ae769426c | mp-1103845 | Change the atom at index 10 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co2S2O10
_chemical_formula_sum "Co2 S2 O10"
_cell_length_a 5.24041662
_cell_length_b 5.24041662
_cell_length_c 7.340449699999999
_cell_angle_alpha 108.82113058999998
_cell_angle_beta 108.82113058999998
_cell_angle_gamma 97.5566005
... | data_image0
_chemical_formula_structural Co2S2O6SnO3
_chemical_formula_sum "Co2 S2 O9 Sn1"
_cell_length_a 5.24041662
_cell_length_b 5.24041662
_cell_length_c 7.340449699999999
_cell_angle_alpha 108.82113058999998
_cell_angle_beta 108.82113058999998
_cell_angle_gamma 97.556... |
ChangeAtomAction | c1ea42f3-104e-4123-98b4-ee1f8d2278ea | mp-1216936 | Change the atom at index 9 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4TeSe7
_chemical_formula_sum "U4 Te1 Se7"
_cell_length_a 4.170615
_cell_length_b 7.613506
_cell_length_c 9.15650564
_cell_angle_alpha 89.56521396000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural U4TeSe4HfSe2
_chemical_formula_sum "U4 Te1 Se6 Hf1"
_cell_length_a 4.170615
_cell_length_b 7.613506
_cell_length_c 9.15650564
_cell_angle_alpha 89.56521396000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 6a0ea901-c3f6-410c-9029-5bf7723679b8 | mp-734561 | Change the atom at index 17 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb6P6H8O24
_chemical_formula_sum "Rb6 P6 H8 O24"
_cell_length_a 8.708768
_cell_length_b 9.72170004
_cell_length_c 9.78200371
_cell_angle_alpha 119.44829971
_cell_angle_beta 111.72985164999999
_cell_angle_gamma 86.26054615
_space_gr... | data_image0
_chemical_formula_structural Rb6P6H5MgH2O24
_chemical_formula_sum "Rb6 P6 H7 Mg1 O24"
_cell_length_a 8.708768
_cell_length_b 9.72170004
_cell_length_c 9.78200371
_cell_angle_alpha 119.44829971
_cell_angle_beta 111.72985164999999
_cell_angle_gamma 86.26054615
_... |
ChangeAtomAction | d4f2dc27-9be5-4aed-8a20-b442145f9a1c | mp-1110620 | Change the atom at index 9 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF5Mt
_chemical_formula_sum "Na2 Tl1 Co1 F5 Mt1"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958... |
ChangeAtomAction | 31998416-cbd9-47d6-8729-dc6012822d95 | mp-695890 | Change the atom at index 62 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg20Si6H8O36
_chemical_formula_sum "Mg20 Si6 H8 O36"
_cell_length_a 5.163712
_cell_length_b 8.828419
_cell_length_c 14.134205
_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 Mg20Si6H8O28NdO7
_chemical_formula_sum "Mg20 Si6 H8 O35 Nd1"
_cell_length_a 5.163712
_cell_length_b 8.828419
_cell_length_c 14.134205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 57a1313e-cd85-46cb-92d6-7495428b15b7 | mp-2228948 | Change the atom at index 11 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O4MgO5
_chemical_formula_sum "Mg2 Sb2 P2 H2 O9"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.117... |
ChangeAtomAction | f0afd51a-ded8-43ab-a9dd-8330aff80828 | mp-1045731 | Change the atom at index 27 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As11ThAs4Se8O56
_chemical_formula_sum "Ca8 Sb8 As15 Th1 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle... |
ChangeAtomAction | 69c92bb0-4a1c-4c12-98a1-29ac7adb4be9 | mp-800838 | Change the atom at index 12 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... | data_image0
_chemical_formula_structural Mn2Al2P4H4TbH25O30
_chemical_formula_sum "Mn2 Al2 P4 H29 Tb1 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03... |
ChangeAtomAction | 3857aa81-5154-457d-8d23-d6e880677bb8 | mp-556061 | Change the atom at index 5 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Sb8F44
_chemical_formula_sum "Cs4 Sb8 F44"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cs4SbRbSb6F44
_chemical_formula_sum "Cs4 Sb7 Rb1 F44"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | 99000a77-7c81-427c-8c75-3f0aee74d105 | mp-1042925 | Change the atom at index 25 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4V4As8O28
_chemical_formula_sum "Ca4 V4 As8 O28"
_cell_length_a 8.578659
_cell_length_b 8.136143
_cell_length_c 10.65287533
_cell_angle_alpha 60.72981673999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ca4V4As8O9AsO18
_chemical_formula_sum "Ca4 V4 As9 O27"
_cell_length_a 8.578659
_cell_length_b 8.136143
_cell_length_c 10.65287533
_cell_angle_alpha 60.72981673999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | 5b0cc679-ab41-4aea-b833-424d199fe7cf | mp-1207874 | Change the atom at index 3 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Y3NeY2Si7Ni16
_chemical_formula_sum "Y5 Ne1 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
ChangeAtomAction | cec0e818-f969-43b5-8444-dbd48537baeb | mp-17777 | Change the atom at index 37 into Pa in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr10As6O24F2
_chemical_formula_sum "Sr10 As6 O24 F2"
_cell_length_a 10.16641641
_cell_length_b 10.16641641
_cell_length_c 7.49607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000270000001
_space_group_name_H... | data_image0
_chemical_formula_structural Sr10As6O21PaO2F2
_chemical_formula_sum "Sr10 As6 O23 Pa1 F2"
_cell_length_a 10.16641641
_cell_length_b 10.16641641
_cell_length_c 7.49607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000270000001
_space_grou... |
ChangeAtomAction | 6be9bde7-0bcb-43d8-92ff-16beba0a1938 | mp-697253 | Change the atom at index 26 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SiH12C2N6F6
_chemical_formula_sum "Si1 H12 C2 N6 F6"
_cell_length_a 7.34302716
_cell_length_b 7.34302716
_cell_length_c 6.25315057
_cell_angle_alpha 69.1722045
_cell_angle_beta 69.1722045
_cell_angle_gamma 59.76569175
_space_group_... | data_image0
_chemical_formula_structural SiH12C2N6F5I
_chemical_formula_sum "Si1 H12 C2 N6 F5 I1"
_cell_length_a 7.34302716
_cell_length_b 7.34302716
_cell_length_c 6.25315057
_cell_angle_alpha 69.1722045
_cell_angle_beta 69.1722045
_cell_angle_gamma 59.76569175
_space_gr... |
ChangeAtomAction | 8a331aee-5e9d-4c8b-8b23-4540d0ed52c3 | mp-16491 | Change the atom at index 4 into Gd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrAl9Co2
_chemical_formula_sum "Sr1 Al9 Co2"
_cell_length_a 7.84298531
_cell_length_b 7.84298407
_cell_length_c 3.89742083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000106999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural SrAl3GdAl5Co2
_chemical_formula_sum "Sr1 Al8 Gd1 Co2"
_cell_length_a 7.84298531
_cell_length_b 7.84298407
_cell_length_c 3.89742083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000106999998
_space_group_name... |
ChangeAtomAction | 3704407b-1fd0-4db0-a1f8-de9980ce300c | mp-1194512 | Change the atom at index 19 into Bi in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4Cu6O18
_chemical_formula_sum "V4 Cu6 O18"
_cell_length_a 6.556707
_cell_length_b 7.60968
_cell_length_c 7.78715794
_cell_angle_alpha 86.45493427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural V4Cu6O9BiO8
_chemical_formula_sum "V4 Cu6 O17 Bi1"
_cell_length_a 6.556707
_cell_length_b 7.60968
_cell_length_c 7.78715794
_cell_angle_alpha 86.45493427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 554ef9b7-8b16-4702-9ae7-5ae664832e0a | mp-1196678 | Change the atom at index 37 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In4Ag4P8H8O32
_chemical_formula_sum "In4 Ag4 P8 H8 O32"
_cell_length_a 6.71893036
_cell_length_b 6.77223216
_cell_length_c 14.998627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.62467366
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural In4Ag4P8H8O13RnO18
_chemical_formula_sum "In4 Ag4 P8 H8 O31 Rn1"
_cell_length_a 6.71893036
_cell_length_b 6.77223216
_cell_length_c 14.998627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.62467366
_space_group_n... |
ChangeAtomAction | 629591bc-30c2-441e-a934-2a4f65131b79 | mp-23963 | Change the atom at index 18 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H4I4O12
_chemical_formula_sum "H4 I4 O12"
_cell_length_a 5.716437
_cell_length_b 5.890396
_cell_length_c 8.00416
_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 H4I4O10FlO
_chemical_formula_sum "H4 I4 O11 Fl1"
_cell_length_a 5.716437
_cell_length_b 5.890396
_cell_length_c 8.00416
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
ChangeAtomAction | 8e2ed2a5-6328-4701-b8f6-f5bc99d81fa9 | mp-1228061 | Change the atom at index 2 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba2NoBaCu2IBrO4
_chemical_formula_sum "Ba3 No1 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
ChangeAtomAction | 0bda652e-505a-4de4-af66-adcd0c1455b4 | mp-1342975 | Change the atom at index 4 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ni8O16
_chemical_formula_sum "Ca4 Ni8 O16"
_cell_length_a 4.95341487
_cell_length_b 5.823023299999999
_cell_length_c 10.85513397
_cell_angle_alpha 94.38458175999999
_cell_angle_beta 90.01604898
_cell_angle_gamma 89.99700022
_spa... | data_image0
_chemical_formula_structural Ca4AtNi7O16
_chemical_formula_sum "Ca4 At1 Ni7 O16"
_cell_length_a 4.95341487
_cell_length_b 5.823023299999999
_cell_length_c 10.85513397
_cell_angle_alpha 94.38458175999999
_cell_angle_beta 90.01604898
_cell_angle_gamma 89.99700022... |
ChangeAtomAction | 45438908-57f1-4b67-ae39-632b27fd01fd | mp-1028276 | Change the atom at index 11 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg14Sn
_chemical_formula_sum "K1 Mg14 Sn1"
_cell_length_a 6.48083808
_cell_length_b 6.48083754
_cell_length_c 10.86105586
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000276
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg10CdMg3Sn
_chemical_formula_sum "K1 Mg13 Cd1 Sn1"
_cell_length_a 6.48083808
_cell_length_b 6.48083754
_cell_length_c 10.86105586
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000276
_space_group_name_H-M_a... |
ChangeAtomAction | 82152754-52e0-4cde-a90e-923091a0d8c2 | mp-1238837 | Change the atom at index 8 into Nh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B8NhB15H24
_chemical_formula_sum "B23 Nh1 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_gr... |
ChangeAtomAction | 48f4c8e0-e53e-451c-bd64-a724e8698bb6 | mp-561248 | Change the atom at index 1 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural SmTlSm6Cu8Te8S8
_chemical_formula_sum "Sm7 Tl1 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 75fa8285-1784-4784-8e61-38b48134e7bb | mp-7492 | Change the atom at index 2 into Dy in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2B2O6
_chemical_formula_sum "La2 B2 O6"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2DyBO6
_chemical_formula_sum "La2 Dy1 B1 O6"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | ce0ec44e-2934-4d77-a320-0e0872936ba7 | mp-767328 | Change the atom at index 13 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Fe5Si7O24
_chemical_formula_sum "Li5 Fe5 Si7 O24"
_cell_length_a 7.864131
_cell_length_b 7.94624588
_cell_length_c 9.50522826
_cell_angle_alpha 89.03556867999998
_cell_angle_beta 89.68223595
_cell_angle_gamma 89.50975027000001
_... | data_image0
_chemical_formula_structural Li5Fe5Si3ClSi3O24
_chemical_formula_sum "Li5 Fe5 Si6 Cl1 O24"
_cell_length_a 7.864131
_cell_length_b 7.94624588
_cell_length_c 9.50522826
_cell_angle_alpha 89.03556867999998
_cell_angle_beta 89.68223595
_cell_angle_gamma 89.50975027... |
ChangeAtomAction | ee0339ad-cd8e-4bad-8334-66069ea4d482 | mp-1147737 | Change the atom at index 9 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnP2S2FlS5
_chemical_formula_sum "Li4 Zn1 P2 S7 Fl1"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_s... |
ChangeAtomAction | 79f821ca-4ea5-4fbf-a2b6-7168a7aa7882 | mp-1046667 | Change the atom at index 4 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Co2P2O10
_chemical_formula_sum "Mg2 Co2 P2 O10"
_cell_length_a 5.289674
_cell_length_b 5.34162801
_cell_length_c 6.813073880000001
_cell_angle_alpha 104.21338557
_cell_angle_beta 103.98050196
_cell_angle_gamma 102.46780101999998
... | data_image0
_chemical_formula_structural Mg2Co2McPO10
_chemical_formula_sum "Mg2 Co2 Mc1 P1 O10"
_cell_length_a 5.289674
_cell_length_b 5.34162801
_cell_length_c 6.813073880000001
_cell_angle_alpha 104.21338557
_cell_angle_beta 103.98050196
_cell_angle_gamma 102.4678010199... |
ChangeAtomAction | 271cecd8-5b6c-49ab-af4f-6ad51f8116ae | mp-1198574 | Change the atom at index 55 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4H32C12N8O24
_chemical_formula_sum "Mg4 H32 C12 N8 O24"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_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 Mg4H32C12N7SbO24
_chemical_formula_sum "Mg4 H32 C12 N7 Sb1 O24"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | 9700d339-219f-4166-8bcb-e41b58ece940 | mp-2646935 | Change the atom at index 12 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Gd2Ru2O12
_chemical_formula_sum "Ba4 Gd2 Ru2 O12"
_cell_length_a 6.01122416
_cell_length_b 6.001117
_cell_length_c 8.486485860000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.01897810999999
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba4Gd2Ru2O4YO7
_chemical_formula_sum "Ba4 Gd2 Ru2 O11 Y1"
_cell_length_a 6.01122416
_cell_length_b 6.001117
_cell_length_c 8.486485860000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.01897810999999
_cell_angle_gamma 90.0
_space_gr... |
ChangeAtomAction | da58aec8-4566-495c-8c76-aac5e6c8ac7b | mp-568136 | Change the atom at index 28 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br16CdBr
_chemical_formula_sum "Rb6 V6 Br17 Cd1"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.9999... |
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