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 | 20baec68-a261-447d-a83e-83974d43fa44 | mp-763659 | Change the atom at index 5 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3V2SiFeO8
_chemical_formula_sum "Li3 V2 Si1 Fe1 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
... |
ChangeAtomAction | a1265d4c-bc9c-4b90-9462-2fb9855e98a3 | mp-1033833 | Change the atom at index 1 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsOgMg6O7
_chemical_formula_sum "Cs1 Og1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... |
ChangeAtomAction | 80fefd53-e658-4580-abf3-87bc0961dcde | mp-1238696 | Change the atom at index 52 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe4H40S8N16O32
_chemical_formula_sum "Fe4 H40 S8 N16 O32"
_cell_length_a 8.51289682
_cell_length_b 11.98523831
_cell_length_c 9.362529659999998
_cell_angle_alpha 89.0593966
_cell_angle_beta 102.58209187
_cell_angle_gamma 92.48701985... | data_image0
_chemical_formula_structural Fe4H40S8BN15O32
_chemical_formula_sum "Fe4 H40 S8 B1 N15 O32"
_cell_length_a 8.51289682
_cell_length_b 11.98523831
_cell_length_c 9.362529659999998
_cell_angle_alpha 89.0593966
_cell_angle_beta 102.58209187
_cell_angle_gamma 92.4870... |
ChangeAtomAction | 5e6340bb-80bf-4d3a-ba07-a0495d02a8ed | mp-1098369 | Change the atom at index 17 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 Mg17LvMg12TiCrO32
_chemical_formula_sum "Mg29 Lv1 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | da0e98f1-f139-46ae-a482-41f6b279363a | mp-1212504 | Change the atom at index 1 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural NdONd6P12H20W4O36
_chemical_formula_sum "Nd7 O37 P12 H20 W4"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
ChangeAtomAction | 221caf1d-96f9-4f01-b138-5312597dfce8 | mp-755878 | Change the atom at index 5 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu5RuOF11
_chemical_formula_sum "Cu5 Ru1 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_na... |
ChangeAtomAction | 1004a25d-2d56-4293-b6ea-ff1cb3a6c68e | mp-1044845 | Change the atom at index 32 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6Al3Fe6F33
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ba6Al3Fe6F17CsF15
_chemical_formula_sum "Ba6 Al3 Fe6 F32 Cs1"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_gro... |
ChangeAtomAction | 17526fcb-1079-4dba-a397-5f15984b8393 | mp-1221954 | Change the atom at index 4 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTi2ZnErO5
_chemical_formula_sum "Mg1 Ti2 Zn1 Er1 O5"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54... |
ChangeAtomAction | 23f5b464-fb2e-47ae-a960-44fc26cc823d | mp-2231016 | Change the atom at index 11 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe6O7F5
_chemical_formula_sum "Mg1 Fe6 O7 F5"
_cell_length_a 5.23093221
_cell_length_b 5.189853770000001
_cell_length_c 8.8565157
_cell_angle_alpha 86.86399567999999
_cell_angle_beta 92.12704567999998
_cell_angle_gamma 102.3567853... | data_image0
_chemical_formula_structural MgFe6O4NeO2F5
_chemical_formula_sum "Mg1 Fe6 O6 Ne1 F5"
_cell_length_a 5.23093221
_cell_length_b 5.189853770000001
_cell_length_c 8.8565157
_cell_angle_alpha 86.86399567999999
_cell_angle_beta 92.12704567999998
_cell_angle_gamma 102... |
ChangeAtomAction | 5e662357-1ec5-49d9-b09f-2bdd04fe116b | mp-1105260 | Change the atom at index 13 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge3LvGe4Rh2
_chemical_formula_sum "Tb8 In2 Ge7 Lv1 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63... |
ChangeAtomAction | 79c9bda8-4f0c-4c40-b4af-37bf735de4ab | mp-1173893 | Change the atom at index 10 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_group_n... | data_image0
_chemical_formula_structural Li4Mn2Co2O2NiO5
_chemical_formula_sum "Li4 Mn2 Co2 O7 Ni1"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space... |
ChangeAtomAction | ba892db4-6b84-49f4-9c60-5aafd7d09943 | mp-9563 | Change the atom at index 15 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Sb6
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li12Sb3FSb2
_chemical_formula_sum "Li12 Sb5 F1"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name... |
ChangeAtomAction | e19bd1f1-5d79-4874-8e5d-d731238bb7b4 | mp-707732 | Change the atom at index 30 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4ZnP6H12O24
_chemical_formula_sum "Na4 Zn1 P6 H12 O24"
_cell_length_a 7.356004
_cell_length_b 9.31164289
_cell_length_c 9.54838386
_cell_angle_alpha 65.6011162
_cell_angle_beta 74.88099345
_cell_angle_gamma 71.92320563999999
_spa... | data_image0
_chemical_formula_structural Na4ZnP6H12O7HgO16
_chemical_formula_sum "Na4 Zn1 P6 H12 O23 Hg1"
_cell_length_a 7.356004
_cell_length_b 9.31164289
_cell_length_c 9.54838386
_cell_angle_alpha 65.6011162
_cell_angle_beta 74.88099345
_cell_angle_gamma 71.923205639999... |
ChangeAtomAction | e8bea5a3-ed93-45ac-95b6-8605ef087ae1 | mp-1403373 | Change the atom at index 0 into Pb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2ZnSbO6
_chemical_formula_sum "La2 Zn1 Sb1 O6"
_cell_length_a 5.77686642
_cell_length_b 5.77686642
_cell_length_c 5.776866339999999
_cell_angle_alpha 61.07135203000001
_cell_angle_beta 61.07135203000001
_cell_angle_gamma 61.071350... | data_image0
_chemical_formula_structural PbLaZnSbO6
_chemical_formula_sum "Pb1 La1 Zn1 Sb1 O6"
_cell_length_a 5.77686642
_cell_length_b 5.77686642
_cell_length_c 5.776866339999999
_cell_angle_alpha 61.07135203000001
_cell_angle_beta 61.07135203000001
_cell_angle_gamma 61.0... |
ChangeAtomAction | ae035718-8ebd-418f-8a01-0f25b4d5eb1f | mp-1517143 | Change the atom at index 17 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Nd2Eu2Sb2O12
_chemical_formula_sum "Ca2 Nd2 Eu2 Sb2 O12"
_cell_length_a 5.80313197
_cell_length_b 5.97664008
_cell_length_c 8.35689443
_cell_angle_alpha 89.58348116000002
_cell_angle_beta 90.56943828000001
_cell_angle_gamma 89.91... | data_image0
_chemical_formula_structural Ca2Nd2Eu2Sb2O9AtO2
_chemical_formula_sum "Ca2 Nd2 Eu2 Sb2 O11 At1"
_cell_length_a 5.80313197
_cell_length_b 5.97664008
_cell_length_c 8.35689443
_cell_angle_alpha 89.58348116000002
_cell_angle_beta 90.56943828000001
_cell_angle_gamma ... |
ChangeAtomAction | 4588288c-0f55-478e-9fb1-ae27b2cbafe8 | mp-752925 | Change the atom at index 10 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Fe2Si2O8
_chemical_formula_sum "Li2 Fe2 Si2 O8"
_cell_length_a 4.539481
_cell_length_b 8.599942
_cell_length_c 4.539481999999999
_cell_angle_alpha 90.00000666000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.00000666000001
_spac... | data_image0
_chemical_formula_structural Li2Fe2Si2O4NiO3
_chemical_formula_sum "Li2 Fe2 Si2 O7 Ni1"
_cell_length_a 4.539481
_cell_length_b 8.599942
_cell_length_c 4.539481999999999
_cell_angle_alpha 90.00000666000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0000066600000... |
ChangeAtomAction | 1ccea108-eae6-4902-9746-809ba53e725b | mp-27013 | 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 Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li18V6P2IP13O58
_chemical_formula_sum "Li18 V6 P15 I1 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group... |
ChangeAtomAction | 726fffa6-85eb-4557-b902-9eedfee423ff | mp-504385 | Change the atom at index 57 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O25TlO22
_chemical_formula_sum "Li12 Fe8 P12 O47 Tl1"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | 3f98c8bd-790a-48c0-8c16-44a02acd6560 | mp-1212483 | Change the atom at index 31 into Ra in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O3RaO24
_chemical_formula_sum "Hg16 P4 H4 N4 O27 Ra1"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_na... |
ChangeAtomAction | d5f89cad-445e-455c-929a-e8a727dc9e31 | mp-613 | Change the atom at index 9 into Cr 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 Te4Pd5Cr
_chemical_formula_sum "Te4 Pd5 Cr1"
_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... |
ChangeAtomAction | bfdff128-459d-4e92-a605-6a417307a508 | mp-2217356 | Change the atom at index 5 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2YMgBiYbO5
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 Yb1 O5"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99... |
ChangeAtomAction | 89efdd52-a95d-46c7-a047-581dbccbcc88 | mp-1044828 | Change the atom at index 29 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Sn12O24
_chemical_formula_sum "Ca6 Sn12 O24"
_cell_length_a 6.90739232
_cell_length_b 6.9073923200000005
_cell_length_c 16.91513194
_cell_angle_alpha 89.50690369
_cell_angle_beta 89.50690369
_cell_angle_gamma 56.98103381
_space_... | data_image0
_chemical_formula_structural Ca6Sn12O11OgO12
_chemical_formula_sum "Ca6 Sn12 O23 Og1"
_cell_length_a 6.90739232
_cell_length_b 6.9073923200000005
_cell_length_c 16.91513194
_cell_angle_alpha 89.50690369
_cell_angle_beta 89.50690369
_cell_angle_gamma 56.98103381... |
ChangeAtomAction | f044b55d-19fb-43b9-8d15-c64446a758a5 | mp-2218385 | Change the atom at index 0 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural ScMn4O4F4
_chemical_formula_sum "Sc1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... |
ChangeAtomAction | 1404808f-2a2f-43b0-877a-0905324ddb9b | mp-972121 | Change the atom at index 11 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural TmAl8Cr4
_chemical_formula_sum "Tm1 Al8 Cr4"
_cell_length_a 6.77139271
_cell_length_b 6.77139271
_cell_length_c 6.77139271
_cell_angle_alpha 97.9981911
_cell_angle_beta 97.9981911
_cell_angle_gamma 136.19636589999996
_space_group_n... | data_image0
_chemical_formula_structural TmAl8Cr2SgCr
_chemical_formula_sum "Tm1 Al8 Cr3 Sg1"
_cell_length_a 6.77139271
_cell_length_b 6.77139271
_cell_length_c 6.77139271
_cell_angle_alpha 97.9981911
_cell_angle_beta 97.9981911
_cell_angle_gamma 136.19636589999996
_space... |
ChangeAtomAction | cb54e649-48ad-4924-a656-daba929ba844 | mp-720255 | Change the atom at index 82 into Tm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr20P12ClO48F3
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023196699... | data_image0
_chemical_formula_structural Sr20P12ClO48FTmF
_chemical_formula_sum "Sr20 P12 Cl1 O48 F2 Tm1"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023... |
ChangeAtomAction | 1ab00b08-edad-4e7a-b40b-e3d549e29acb | mp-1210947 | Change the atom at index 13 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O5CO10
_chemical_formula_sum "Lu2 Ag2 W4 O15 C1"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_s... |
ChangeAtomAction | cd144a83-6f53-4862-b28a-b68471f933a8 | mp-720430 | Change the atom at index 21 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... | data_image0
_chemical_formula_structural Ca2B6H13TeO18
_chemical_formula_sum "Ca2 B6 H13 Te1 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_sp... |
ChangeAtomAction | d67d2e61-e358-4bb8-9918-db1f74a961af | mp-1194492 | Change the atom at index 9 into Md in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al4Te2S2OMdO16
_chemical_formula_sum "Al4 Te2 S2 O17 Md1"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | 7cd2545e-9462-486b-997d-7108c0db7f5f | mp-1518832 | Change the atom at index 36 into Pb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_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 Ba4Na4Pr4Nb4O20PbO3
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O23 Pb1"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | 381dd7e3-f85f-40ef-8db3-59be454178bf | mp-1223055 | Change the atom at index 33 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La8Mg2Cr6O24
_chemical_formula_sum "La8 Mg2 Cr6 O24"
_cell_length_a 7.86161243
_cell_length_b 7.914223340000001
_cell_length_c 7.87884488
_cell_angle_alpha 89.97539867
_cell_angle_beta 89.95009291
_cell_angle_gamma 89.67831836
_spa... | data_image0
_chemical_formula_structural La8Mg2Cr6O17TcO6
_chemical_formula_sum "La8 Mg2 Cr6 O23 Tc1"
_cell_length_a 7.86161243
_cell_length_b 7.914223340000001
_cell_length_c 7.87884488
_cell_angle_alpha 89.97539867
_cell_angle_beta 89.95009291
_cell_angle_gamma 89.678318... |
ChangeAtomAction | a7924d67-2a34-492b-ab61-69ad0dbff699 | mp-19140 | Change the atom at index 11 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K11RnMn4O16
_chemical_formula_sum "K11 Rn1 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927... |
ChangeAtomAction | 4ee7c41b-6fe2-4e3c-bd78-5535a99086c5 | mp-1205609 | Change the atom at index 0 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr2P2Os4C2
_chemical_formula_sum "Pr2 P2 Os4 C2"
_cell_length_a 5.87434922
_cell_length_b 5.87434922
_cell_length_c 7.147218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.53883479
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural FPrP2Os4C2
_chemical_formula_sum "F1 Pr1 P2 Os4 C2"
_cell_length_a 5.87434922
_cell_length_b 5.87434922
_cell_length_c 7.147218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.53883479
_space_group_name_H-M_alt ... |
ChangeAtomAction | 6e467b75-7eba-4dce-aa6e-2d7f8ea883d4 | mp-23675 | Change the atom at index 0 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 WH7Br2N2
_chemical_formula_sum "W1 H7 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 | d915e12c-2eda-48e3-8301-14419e8402b4 | mp-780891 | Change the atom at index 3 into Pm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... | data_image0
_chemical_formula_structural Fe3PmFe4O14F2
_chemical_formula_sum "Fe7 Pm1 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_spa... |
ChangeAtomAction | 5c57709e-fa5f-46ae-b322-df10e9cd9163 | mp-558102 | Change the atom at index 12 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O4AsO5
_chemical_formula_sum "K2 Li2 Si4 O9 As1"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 329124ab-56d3-4610-9aa8-622fa3344ee5 | mp-1020147 | Change the atom at index 49 into Pd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Mg8P12N4O36
_chemical_formula_sum "Na8 Mg8 P12 N4 O36"
_cell_length_a 9.352436
_cell_length_b 9.352436
_cell_length_c 9.352436
_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 Na8Mg8P12N4O17PdO18
_chemical_formula_sum "Na8 Mg8 P12 N4 O35 Pd1"
_cell_length_a 9.352436
_cell_length_b 9.352436
_cell_length_c 9.352436
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 351dade9-4175-4f93-a338-9ee9f3e21f10 | mp-2217356 | Change the atom at index 5 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2YMgBiPtO5
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 Pt1 O5"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99... |
ChangeAtomAction | 08aaf982-175c-4ca5-aeed-e7f1aa00f654 | mp-778157 | Change the atom at index 7 into Ra in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe10O6F14
_chemical_formula_sum "Fe10 O6 F14"
_cell_length_a 4.78456862
_cell_length_b 4.783618090000001
_cell_length_c 15.727625559999998
_cell_angle_alpha 89.83781460999998
_cell_angle_beta 90.05519869
_cell_angle_gamma 90.4524454... | data_image0
_chemical_formula_structural Fe7RaFe2O6F14
_chemical_formula_sum "Fe9 Ra1 O6 F14"
_cell_length_a 4.78456862
_cell_length_b 4.783618090000001
_cell_length_c 15.727625559999998
_cell_angle_alpha 89.83781460999998
_cell_angle_beta 90.05519869
_cell_angle_gamma 90.... |
ChangeAtomAction | 2631a348-a919-48b2-8eea-5627f5df8664 | mp-1191832 | Change the atom at index 2 into Ru in the cif file. The indices of atoms are started from 0. | 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 Na2RuMo7O12
_chemical_formula_sum "Na2 Ru1 Mo7 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"
_sp... |
ChangeAtomAction | ac704334-0058-4a26-82fc-1c0cbeebcc33 | mp-777349 | Change the atom at index 0 into Ge in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural GeMn5O6F6
_chemical_formula_sum "Ge1 Mn5 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_spac... |
ChangeAtomAction | 014c22fd-c579-4967-bfcd-6c808c5c9f59 | mp-1214002 | Change the atom at index 27 into Ni 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 Ce3P6Pd18NiPd
_chemical_formula_sum "Ce3 P6 Pd19 Ni1"
_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 60.03013740... |
ChangeAtomAction | 62f1808b-ebd0-4fd7-8104-007b21a19cb9 | mp-27772 | Change the atom at index 6 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb6I16
_chemical_formula_sum "Nb6 I16"
_cell_length_a 15.08258044
_cell_length_b 15.08258044
_cell_length_c 15.08257981
_cell_angle_alpha 29.57353376000001
_cell_angle_beta 29.573533759999997
_cell_angle_gamma 29.57353019999999
_sp... | data_image0
_chemical_formula_structural Nb6SeI15
_chemical_formula_sum "Nb6 Se1 I15"
_cell_length_a 15.08258044
_cell_length_b 15.08258044
_cell_length_c 15.08257981
_cell_angle_alpha 29.57353376000001
_cell_angle_beta 29.573533759999997
_cell_angle_gamma 29.5735301999999... |
ChangeAtomAction | 72241e9b-0d62-4ec1-804b-305f7a834412 | mp-866812 | 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 U2Ta4S12Cl12O2
_chemical_formula_sum "U2 Ta4 S12 Cl12 O2"
_cell_length_a 6.986233
_cell_length_b 9.6792223
_cell_length_c 12.87159687
_cell_angle_alpha 84.14986946999998
_cell_angle_beta 83.15207639999998
_cell_angle_gamma 88.786650... | data_image0
_chemical_formula_structural U2Ta4S12FlCl11O2
_chemical_formula_sum "U2 Ta4 S12 Fl1 Cl11 O2"
_cell_length_a 6.986233
_cell_length_b 9.6792223
_cell_length_c 12.87159687
_cell_angle_alpha 84.14986946999998
_cell_angle_beta 83.15207639999998
_cell_angle_gamma 88.... |
ChangeAtomAction | b43b3d9d-c65a-492c-acf3-148a4837c042 | mp-753734 | Change the atom at index 8 into Gd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn4Cr2O2GdO9
_chemical_formula_sum "Mn4 Cr2 O11 Gd1"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt ... |
ChangeAtomAction | 1d4ec2d5-70ea-4e71-af39-b148e9d28284 | mp-17256 | Change the atom at index 11 into Ra in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... | data_image0
_chemical_formula_structural Rb4Hf6ORaF24
_chemical_formula_sum "Rb4 Hf6 O1 Ra1 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.331936770... |
ChangeAtomAction | fc00ad8e-22ee-4b9a-9c99-0755ef726973 | mp-777845 | Change the atom at index 7 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe6O5F7
_chemical_formula_sum "Fe6 O5 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_name... | data_image0
_chemical_formula_structural Fe6OAtO3F7
_chemical_formula_sum "Fe6 O4 At1 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_gro... |
ChangeAtomAction | 87f3b30b-18f0-4654-8ace-2c50a0408af6 | mp-765689 | Change the atom at index 22 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co6O4F12
_chemical_formula_sum "Li8 Co6 O4 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.16652366999999
... | data_image0
_chemical_formula_structural Li8Co6O4F4McF7
_chemical_formula_sum "Li8 Co6 O4 F11 Mc1"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.166523669... |
ChangeAtomAction | 235c6595-f422-4381-91c2-c3c4f1dc7909 | mp-1192677 | Change the atom at index 16 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI5TbI7
_chemical_formula_sum "Cs4 Pr6 Os1 I12 Tb1"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87... |
ChangeAtomAction | 9b247bc8-0a6d-4c62-a833-749312d16c6c | mp-1336779 | Change the atom at index 61 into Ho in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20Fe10S31HoS8
_chemical_formula_sum "Lu20 Fe10 S39 Ho1"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gam... |
ChangeAtomAction | f5094ef5-5de2-4988-85af-7ae0675463a3 | mp-1200075 | Change the atom at index 9 into Bi in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523140... | data_image0
_chemical_formula_structural H9BiH16Pt2C6N6Cl4O2
_chemical_formula_sum "H25 Bi1 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98... |
ChangeAtomAction | cd64a975-2b39-46bf-80fe-1ff35706b81a | mp-28684 | Change the atom at index 99 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb14Se16F70
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sb14Se16F69Cn
_chemical_formula_sum "Sb14 Se16 F69 Cn1"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | 5898fef0-c773-4b39-9b0e-426d6209d918 | mp-2228398 | Change the atom at index 5 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCo6O9F3
_chemical_formula_sum "Mg1 Co6 O9 F3"
_cell_length_a 4.96812265
_cell_length_b 4.97965833
_cell_length_c 8.61320675
_cell_angle_alpha 89.06827837
_cell_angle_beta 91.67215628
_cell_angle_gamma 102.36653829000001
_space_gr... | data_image0
_chemical_formula_structural MgCo4MoCoO9F3
_chemical_formula_sum "Mg1 Co5 Mo1 O9 F3"
_cell_length_a 4.96812265
_cell_length_b 4.97965833
_cell_length_c 8.61320675
_cell_angle_alpha 89.06827837
_cell_angle_beta 91.67215628
_cell_angle_gamma 102.36653829000001
_... |
ChangeAtomAction | 00d44552-ed1d-4a42-9698-ba2761a3128d | mp-1095109 | Change the atom at index 9 into H in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2BiIrO6
_chemical_formula_sum "Ba2 Bi1 Ir1 O6"
_cell_length_a 6.07830403
_cell_length_b 6.07830403
_cell_length_c 6.078304029999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Ba2BiIrO5H
_chemical_formula_sum "Ba2 Bi1 Ir1 O5 H1"
_cell_length_a 6.07830403
_cell_length_b 6.07830403
_cell_length_c 6.078304029999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... |
ChangeAtomAction | fd993a0d-8dda-4af8-a27f-1dde43c84a45 | mp-1226415 | Change the atom at index 18 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... | data_image0
_chemical_formula_structural Co4Mo4O10LrO8
_chemical_formula_sum "Co4 Mo4 O18 Lr1"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_... |
ChangeAtomAction | 0a62deb2-50ed-4457-b158-cb73ccee7833 | mp-603241 | Change the atom at index 30 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe4Si16O6PuO33
_chemical_formula_sum "Ba4 Fe4 Si16 O39 Pu1"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99... |
ChangeAtomAction | 4380f0f3-420c-45f8-8152-d6c40ee72b84 | mp-561286 | Change the atom at index 12 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn12ReZn7S20
_chemical_formula_sum "Zn19 Re1 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group... |
ChangeAtomAction | 6c8067e8-785f-4211-811c-f3fd577a55e3 | mp-27197 | Change the atom at index 11 into Pb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8As4O14
_chemical_formula_sum "Na8 As4 O14"
_cell_length_a 5.84356663
_cell_length_b 5.843566630000001
_cell_length_c 12.222710270000002
_cell_angle_alpha 88.52213325999999
_cell_angle_beta 88.52213325999999
_cell_angle_gamma 118.... | data_image0
_chemical_formula_structural Na8As3PbO14
_chemical_formula_sum "Na8 As3 Pb1 O14"
_cell_length_a 5.84356663
_cell_length_b 5.843566630000001
_cell_length_c 12.222710270000002
_cell_angle_alpha 88.52213325999999
_cell_angle_beta 88.52213325999999
_cell_angle_gamma ... |
ChangeAtomAction | 600bd136-6ec0-470b-b7e7-09406d949312 | mp-1210214 | Change the atom at index 7 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Nb4BiGaBi2O18
_chemical_formula_sum "Na2 Nb4 Bi3 Ga1 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | e7c89472-56c4-483a-8356-376c05cad51e | mp-690490 | Change the atom at index 7 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 Ti4V3ClO16
_chemical_formula_sum "Ti4 V3 Cl1 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
ChangeAtomAction | bce4fa37-509b-4b5a-99c4-be9c690947a2 | mp-510 | Change the atom at index 16 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta16RhO31
_chemical_formula_sum "Ta16 Rh1 O31"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_... |
ChangeAtomAction | 12e31df1-77c9-492c-8eff-27966a0565c2 | mp-667336 | Change the atom at index 44 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr12Te16LuTe47
_chemical_formula_sum "Cs16 Zr12 Te63 Lu1"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
ChangeAtomAction | 327c4744-402f-4266-8329-11837036987a | mp-795772 | Change the atom at index 6 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb10Co4O8
_chemical_formula_sum "Rb10 Co4 O8"
_cell_length_a 7.061377
_cell_length_b 9.32316657
_cell_length_c 9.725491290000003
_cell_angle_alpha 118.05706487
_cell_angle_beta 89.66912512
_cell_angle_gamma 108.44379706000001
_spac... | data_image0
_chemical_formula_structural Rb6OsRb3Co4O8
_chemical_formula_sum "Rb9 Os1 Co4 O8"
_cell_length_a 7.061377
_cell_length_b 9.32316657
_cell_length_c 9.725491290000003
_cell_angle_alpha 118.05706487
_cell_angle_beta 89.66912512
_cell_angle_gamma 108.44379706000001... |
ChangeAtomAction | 81871e8f-aed9-40df-88ca-12f4977f5e1d | mp-568534 | Change the atom at index 11 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P16C8Se12N8
_chemical_formula_sum "P16 C8 Se12 N8"
_cell_length_a 6.853759
_cell_length_b 12.511679
_cell_length_c 14.24437576
_cell_angle_alpha 72.46563389
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural P11RfP4C8Se12N8
_chemical_formula_sum "P15 Rf1 C8 Se12 N8"
_cell_length_a 6.853759
_cell_length_b 12.511679
_cell_length_c 14.24437576
_cell_angle_alpha 72.46563389
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | 8e27eeb2-2703-4d17-a4ca-b14a4f32c68f | mp-1229207 | Change the atom at index 22 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4Si8O24
_chemical_formula_sum "Al4 Si8 O24"
_cell_length_a 9.563469
_cell_length_b 9.57905997
_cell_length_c 9.71377535
_cell_angle_alpha 94.47840969
_cell_angle_beta 95.04810756999998
_cell_angle_gamma 94.63304470999998
_space_g... | data_image0
_chemical_formula_structural Al4Si8O10OsO13
_chemical_formula_sum "Al4 Si8 O23 Os1"
_cell_length_a 9.563469
_cell_length_b 9.57905997
_cell_length_c 9.71377535
_cell_angle_alpha 94.47840969
_cell_angle_beta 95.04810756999998
_cell_angle_gamma 94.63304470999998
... |
ChangeAtomAction | 81674a33-74d4-4d02-b7bf-0cacac784dd7 | mp-1173764 | Change the atom at index 17 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2ONdO22
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O23 Nd1"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.044704... |
ChangeAtomAction | 74fd9fb2-7db8-4e42-895d-21d473fab067 | mp-1219521 | Change the atom at index 1 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb4As4Ir4
_chemical_formula_sum "Sb4 As4 Ir4"
_cell_length_a 6.398697
_cell_length_b 6.4034486
_cell_length_c 6.55434184
_cell_angle_alpha 114.09464444
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural SbCrSb2As4Ir4
_chemical_formula_sum "Sb3 Cr1 As4 Ir4"
_cell_length_a 6.398697
_cell_length_b 6.4034486
_cell_length_c 6.55434184
_cell_angle_alpha 114.09464444
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | d832e68f-9e75-4f75-8c9c-40fb1b940014 | mp-1246932 | Change the atom at index 36 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_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 Ba28Hf4N4AlN19
_chemical_formula_sum "Ba28 Hf4 N23 Al1"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 62956739-a16f-42bf-8cea-c7d7bc6f211c | mp-18398 | Change the atom at index 29 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2V6Te4O24
_chemical_formula_sum "Cs2 V6 Te4 O24"
_cell_length_a 7.27519056
_cell_length_b 7.27519056
_cell_length_c 11.869581
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000506
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2V6Te4O17BrO6
_chemical_formula_sum "Cs2 V6 Te4 O23 Br1"
_cell_length_a 7.27519056
_cell_length_b 7.27519056
_cell_length_c 11.869581
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000506
_space_group_name_H... |
ChangeAtomAction | 82811dca-7afe-41bd-b1f4-84241f0c289a | mp-984755 | Change the atom at index 31 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O19EsO2
_chemical_formula_sum "Nb8 Ag4 O21 Es1"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 2... |
ChangeAtomAction | 248f7c80-488e-4897-9f20-3b6052d71f44 | mp-2321 | Change the atom at index 8 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb6Ge10
_chemical_formula_sum "Tb6 Ge10"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb6Ge2YbGe7
_chemical_formula_sum "Tb6 Ge9 Yb1"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name... |
ChangeAtomAction | 501220f4-24b5-4340-8658-67e9a233429d | mp-1176767 | Change the atom at index 76 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Cu12P12O48
_chemical_formula_sum "Li12 Cu12 P12 O48"
_cell_length_a 18.617069
_cell_length_b 5.65504
_cell_length_c 8.472034
_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 Li12Cu12P12O40KO7
_chemical_formula_sum "Li12 Cu12 P12 O47 K1"
_cell_length_a 18.617069
_cell_length_b 5.65504
_cell_length_c 8.472034
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 06e68e44-2e8c-4c16-a196-50176df93aa8 | mp-1094347 | Change the atom at index 7 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Mg6TiOTi4
_chemical_formula_sum "Mg6 Ti5 O1"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_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... |
ChangeAtomAction | 0eb59025-a6a8-4afb-9e0e-76152bb899fe | mp-1215043 | Change the atom at index 80 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Al12O72
_chemical_formula_sum "Ca6 Al12 O72"
_cell_length_a 16.0686127
_cell_length_b 16.0686127
_cell_length_c 9.065298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca6Al12O62MgO9
_chemical_formula_sum "Ca6 Al12 O71 Mg1"
_cell_length_a 16.0686127
_cell_length_b 16.0686127
_cell_length_c 9.065298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name... |
ChangeAtomAction | c790fd64-a128-4329-8910-74af33bdb489 | mp-27888 | Change the atom at index 10 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr3GeO8
_chemical_formula_sum "Zr3 Ge1 O8"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group_... | data_image0
_chemical_formula_structural Zr3GeO6SiO
_chemical_formula_sum "Zr3 Ge1 O7 Si1"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space... |
ChangeAtomAction | 20c1a626-0de3-4622-b9e2-1ab1d3dfacf3 | mp-28535 | Change the atom at index 7 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Se6O16
_chemical_formula_sum "Ca4 Se6 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_group... | data_image0
_chemical_formula_structural Ca4Se3ScSe2O16
_chemical_formula_sum "Ca4 Se5 Sc1 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_sp... |
ChangeAtomAction | f997f672-af0c-42dc-8db7-f74b4df73e60 | mp-556061 | Change the atom at index 25 into Li 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 Cs4Sb8F13LiF30
_chemical_formula_sum "Cs4 Sb8 F43 Li1"
_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_... |
ChangeAtomAction | 64dd80d2-4ae4-49b4-9697-ba4876aba0e2 | mp-1210964 | Change the atom at index 15 into Ds in the cif file. The indices of atoms are started from 0. | 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 Lu12Cr3DsS24
_chemical_formula_sum "Lu12 Cr3 Ds1 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 ... |
ChangeAtomAction | 7d03a5c2-73d8-4c0c-87ab-d754852e7753 | mp-1197082 | Change the atom at index 16 into Ra in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb6Tm2S6O24
_chemical_formula_sum "Rb6 Tm2 S6 O24"
_cell_length_a 9.41269635
_cell_length_b 9.41269635
_cell_length_c 9.43326427
_cell_angle_alpha 70.76036173
_cell_angle_beta 70.76036173
_cell_angle_gamma 109.51419768
_space_group... | data_image0
_chemical_formula_structural Rb6Tm2S6O2RaO21
_chemical_formula_sum "Rb6 Tm2 S6 O23 Ra1"
_cell_length_a 9.41269635
_cell_length_b 9.41269635
_cell_length_c 9.43326427
_cell_angle_alpha 70.76036173
_cell_angle_beta 70.76036173
_cell_angle_gamma 109.51419768
_spa... |
ChangeAtomAction | 355eade4-232e-41e6-981d-215db36ef077 | mp-759690 | Change the atom at index 2 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2McH15N4F12
_chemical_formula_sum "Mn2 Mc1 H15 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H... |
ChangeAtomAction | 6105fec6-5bf3-4260-997a-3a164728a165 | mp-561527 | Change the atom at index 49 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb6Zr4P10S36
_chemical_formula_sum "Rb6 Zr4 P10 S36"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_space_grou... | data_image0
_chemical_formula_structural Rb6Zr4P10S29TbS6
_chemical_formula_sum "Rb6 Zr4 P10 S35 Tb1"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_sp... |
ChangeAtomAction | 7b035f14-24e6-4212-9bd2-ae85793a9d78 | mp-1247313 | Change the atom at index 4 into H in the cif file. The indices of atoms are started from 0. | 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 Zn4HZn11Ag4N12
_chemical_formula_sum "Zn15 H1 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
_... |
ChangeAtomAction | 2adadac2-b73b-435a-a079-fa71ce6896f7 | mp-1078810 | Change the atom at index 7 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 Sc4Sn2AuClAu2
_chemical_formula_sum "Sc4 Sn2 Au3 Cl1"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 6c401406-058d-471d-af3d-3ecf440f08c6 | mp-2452 | Change the atom at index 11 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O7TlO2
_chemical_formula_sum "P4 O9 Tl1"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_na... |
ChangeAtomAction | a4ecb498-8d74-4645-9eda-b6e2046733d3 | mp-1217691 | Change the atom at index 5 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... | data_image0
_chemical_formula_structural Tb3DyAlEsAl6
_chemical_formula_sum "Tb3 Dy1 Al7 Es1"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_spa... |
ChangeAtomAction | fb6458a8-869c-4f87-943c-1fcff9398825 | mp-770592 | Change the atom at index 26 into Ne in the cif file. The indices of atoms are started from 0. | 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 Mn8P4O14NeO5
_chemical_formula_sum "Mn8 P4 O19 Ne1"
_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
_spa... |
ChangeAtomAction | 03ca92c0-8861-4bd7-8238-a44087e2a10b | mp-1191832 | Change the atom at index 7 into Ir in the cif file. The indices of atoms are started from 0. | 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 Na2Mo5IrMo2O12
_chemical_formula_sum "Na2 Mo7 Ir1 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"
... |
ChangeAtomAction | ef02a6bb-3bbd-4bbe-b6ee-8e2c0477f7a8 | mp-759690 | Change the atom at index 15 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H13SrH2N4F12
_chemical_formula_sum "Mn2 H15 Sr1 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name... |
ChangeAtomAction | db5f57f1-3eab-4d2f-bf28-a9bf10651f1b | mp-1114234 | Change the atom at index 9 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiRhF5U
_chemical_formula_sum "Na2 Li1 Rh1 F5 U1"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
ChangeAtomAction | f9b52427-a6fc-43f2-887b-0820d1ff61dd | mp-1522855 | Change the atom at index 15 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KEuZr4O12
_chemical_formula_sum "K1 Eu1 Zr4 O12"
_cell_length_a 5.80215694
_cell_length_b 5.80215694
_cell_length_c 8.46359513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.6025642
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural KEuZr4O9TiO2
_chemical_formula_sum "K1 Eu1 Zr4 O11 Ti1"
_cell_length_a 5.80215694
_cell_length_b 5.80215694
_cell_length_c 8.46359513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.6025642
_space_group_name_H-M_a... |
ChangeAtomAction | 5028af94-e48e-472b-8c7f-be66693a690d | mp-756505 | Change the atom at index 11 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs6Sc2O6
_chemical_formula_sum "Cs6 Sc2 O6"
_cell_length_a 7.32418222
_cell_length_b 7.32418222
_cell_length_c 7.44391154
_cell_angle_alpha 83.170733
_cell_angle_beta 83.170733
_cell_angle_gamma 115.61349048
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs6Sc2O3SrO2
_chemical_formula_sum "Cs6 Sc2 O5 Sr1"
_cell_length_a 7.32418222
_cell_length_b 7.32418222
_cell_length_c 7.44391154
_cell_angle_alpha 83.170733
_cell_angle_beta 83.170733
_cell_angle_gamma 115.61349048
_space_group_na... |
ChangeAtomAction | c3deb803-8598-464e-a50e-c5cb90355367 | mp-1189074 | Change the atom at index 7 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Al2O2F10
_chemical_formula_sum "Rb4 Al2 O2 F10"
_cell_length_a 6.39481619
_cell_length_b 6.394816189999999
_cell_length_c 7.635639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.4904225
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb4Al2OFmF10
_chemical_formula_sum "Rb4 Al2 O1 Fm1 F10"
_cell_length_a 6.39481619
_cell_length_b 6.394816189999999
_cell_length_c 7.635639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.4904225
_space_group_name_... |
ChangeAtomAction | 4d828cf8-2b5f-45d5-9028-ab05f913e296 | mp-1103522 | Change the atom at index 7 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga10W4
_chemical_formula_sum "Ga10 W4"
_cell_length_a 9.179984
_cell_length_b 9.179984
_cell_length_c 2.734625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Ga7CrGa2W4
_chemical_formula_sum "Ga9 Cr1 W4"
_cell_length_a 9.179984
_cell_length_b 9.179984
_cell_length_c 2.734625
_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... |
ChangeAtomAction | 3ff687c0-23cc-4b0a-8361-59bfba68e657 | mp-558805 | Change the atom at index 37 into Eu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B8O13EuO10
_chemical_formula_sum "Na12 Nd4 B8 O23 Eu1"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
ChangeAtomAction | f44b9f47-a4e1-4bce-8b75-755db302eaaa | mp-1225453 | Change the atom at index 13 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er14Ag51
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er13ArAg51
_chemical_formula_sum "Er13 Ar1 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt... |
ChangeAtomAction | 9422bf60-7aa3-4613-b409-27c74b57c7fb | mp-573073 | Change the atom at index 28 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F2FeF35
_chemical_formula_sum "Cs14 Cu12 F37 Fe1"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
ChangeAtomAction | 6c3938e5-d20d-4647-abd9-ec482852d6b1 | mp-1217937 | Change the atom at index 5 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti6FeBi9O27
_chemical_formula_sum "Ti6 Fe1 Bi9 O27"
_cell_length_a 6.095446
_cell_length_b 5.707039
_cell_length_c 19.800503
_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 Ti5LuFeBi9O27
_chemical_formula_sum "Ti5 Lu1 Fe1 Bi9 O27"
_cell_length_a 6.095446
_cell_length_b 5.707039
_cell_length_c 19.800503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | ee90c653-94b0-4b81-a2a9-86eb7dfd43ff | mp-1200029 | Change the atom at index 32 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co3P4H48N2O30
_chemical_formula_sum "Co3 P4 H48 N2 O30"
_cell_length_a 6.19672752
_cell_length_b 7.041263
_cell_length_c 17.78336569
_cell_angle_alpha 101.41846615
_cell_angle_beta 90.87874117
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Co3P4H25AtH22N2O30
_chemical_formula_sum "Co3 P4 H47 At1 N2 O30"
_cell_length_a 6.19672752
_cell_length_b 7.041263
_cell_length_c 17.78336569
_cell_angle_alpha 101.41846615
_cell_angle_beta 90.87874117
_cell_angle_gamma 90.0
_space... |
ChangeAtomAction | 3ca33a90-bef5-4000-abd0-4e66acd33e13 | mp-1047132 | Change the atom at index 0 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... | data_image0
_chemical_formula_structural FlCaAg4O8
_chemical_formula_sum "Fl1 Ca1 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_... |
ChangeAtomAction | 3ae3f545-c917-4beb-b915-9a3684afb538 | mp-1214431 | Change the atom at index 8 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CdSn3F6
_chemical_formula_sum "Cd1 Sn3 F6"
_cell_length_a 11.630125
_cell_length_b 11.66003966
_cell_length_c 20.736229490000003
_cell_angle_alpha 95.93458659999999
_cell_angle_beta 92.58664804
_cell_angle_gamma 119.17874084
_space... | data_image0
_chemical_formula_structural CdSn3F4IrF
_chemical_formula_sum "Cd1 Sn3 F5 Ir1"
_cell_length_a 11.630125
_cell_length_b 11.66003966
_cell_length_c 20.736229490000003
_cell_angle_alpha 95.93458659999999
_cell_angle_beta 92.58664804
_cell_angle_gamma 119.17874084
... |
ChangeAtomAction | 32e02021-dbe1-4a64-bac1-b5b159f24c89 | mp-722910 | Change the atom at index 26 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10NpNO4
_chemical_formula_sum "K4 B12 H10 Np1 N1 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_... |
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