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 | 45ccedbb-f3ca-4f1e-98ad-06e50cb50cf2 | mp-1194576 | Change the atom at index 49 into Ge in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb12Sb8Br36
_chemical_formula_sum "Rb12 Sb8 Br36"
_cell_length_a 7.68782753
_cell_length_b 13.69578094
_cell_length_c 19.48151806
_cell_angle_alpha 89.05068551
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb12Sb8Br29GeBr6
_chemical_formula_sum "Rb12 Sb8 Br35 Ge1"
_cell_length_a 7.68782753
_cell_length_b 13.69578094
_cell_length_c 19.48151806
_cell_angle_alpha 89.05068551
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | dd380ada-aa4e-4649-aafb-50cecd7a0f7e | mp-779404 | Change the atom at index 19 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Cr8As12O48
_chemical_formula_sum "Li12 Cr8 As12 O48"
_cell_length_a 10.51052944
_cell_length_b 10.51052944
_cell_length_c 10.51052944
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Li12Cr7XeAs12O48
_chemical_formula_sum "Li12 Cr7 Xe1 As12 O48"
_cell_length_a 10.51052944
_cell_length_b 10.51052944
_cell_length_c 10.51052944
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122... |
ChangeAtomAction | 4877c58a-c121-4c8e-9a60-6605f4e28fe1 | mp-29817 | 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 Ga8P16I72
_chemical_formula_sum "Ga8 P16 I72"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_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 Ga8P9McP6I72
_chemical_formula_sum "Ga8 P15 Mc1 I72"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 4cb9bca9-7b39-46dc-b777-ffe3bbf837e0 | mp-763831 | Change the atom at index 26 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16Mn2O8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li16Mn2O8WF3
_chemical_formula_sum "Li16 Mn2 O8 W1 F3"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_... |
ChangeAtomAction | 19da701c-3fea-488e-a474-9a8125ac093b | mp-758458 | Change the atom at index 25 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4V4P16OScO46
_chemical_formula_sum "Li4 V4 P16 O47 Sc1"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | 4def5d0f-17d9-4d1d-a3a4-225389ef3c81 | mp-1028186 | Change the atom at index 15 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaCaMg14
_chemical_formula_sum "Na1 Ca1 Mg14"
_cell_length_a 6.57203517
_cell_length_b 6.55068295
_cell_length_c 10.53355028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.89258933
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural NaCaMg13Lu
_chemical_formula_sum "Na1 Ca1 Mg13 Lu1"
_cell_length_a 6.57203517
_cell_length_b 6.55068295
_cell_length_c 10.53355028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.89258933
_space_group_name_H-M_al... |
ChangeAtomAction | 39eb3e6d-8c27-403e-88a8-1c96692553b6 | mp-1225618 | Change the atom at index 9 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er2Ga6Cu11
_chemical_formula_sum "Er2 Ga6 Cu11"
_cell_length_a 6.56066199
_cell_length_b 6.560661990000001
_cell_length_c 6.5606616
_cell_angle_alpha 83.56990939999999
_cell_angle_beta 83.56990939999999
_cell_angle_gamma 83.56991377... | data_image0
_chemical_formula_structural Er2Ga6CuTeCu9
_chemical_formula_sum "Er2 Ga6 Cu10 Te1"
_cell_length_a 6.56066199
_cell_length_b 6.560661990000001
_cell_length_c 6.5606616
_cell_angle_alpha 83.56990939999999
_cell_angle_beta 83.56990939999999
_cell_angle_gamma 83.5... |
ChangeAtomAction | a6ad3c8d-c9c4-43eb-bae0-74df47592989 | mp-22781 | Change the atom at index 3 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn3WMn4Ge4O16
_chemical_formula_sum "Mn7 W1 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_na... |
ChangeAtomAction | 31205df1-b1d8-4fe3-a8c5-ec207a83b60e | mp-1215240 | Change the atom at index 8 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4Ti4Pd4
_chemical_formula_sum "Zr4 Ti4 Pd4"
_cell_length_a 5.3695121
_cell_length_b 5.48048527
_cell_length_c 8.698884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.66137671999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Ti4AsPd3
_chemical_formula_sum "Zr4 Ti4 As1 Pd3"
_cell_length_a 5.3695121
_cell_length_b 5.48048527
_cell_length_c 8.698884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.66137671999999
_space_group_name_H-M_... |
ChangeAtomAction | 28249c64-6d7b-4ba7-b58c-b1acfb427182 | mp-1219272 | Change the atom at index 9 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe4LrFe28C4
_chemical_formula_sum "Sm4 Cr1 Fe32 Lr1 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_sp... |
ChangeAtomAction | 9c88f7e0-2042-4bd9-a0b7-b556a2d8c827 | mp-1033845 | Change the atom at index 26 into Ag in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14BCO16
_chemical_formula_sum "Mg14 B1 C1 O16"
_cell_length_a 8.50440118
_cell_length_b 8.50440118
_cell_length_c 4.19993262
_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 Mg14BCO10AgO5
_chemical_formula_sum "Mg14 B1 C1 O15 Ag1"
_cell_length_a 8.50440118
_cell_length_b 8.50440118
_cell_length_c 4.19993262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | c6e6343d-f5bf-4e5a-a906-4de63badac4d | mp-558208 | Change the atom at index 40 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural Rb4In4As8O24FeO3
_chemical_formula_sum "Rb4 In4 As8 O27 Fe1"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.7309106000000... |
ChangeAtomAction | f81af287-468c-40fd-8aa0-a18cdd90bfb4 | mp-771733 | Change the atom at index 13 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... | data_image0
_chemical_formula_structural Li3MgV8OTeO14
_chemical_formula_sum "Li3 Mg1 V8 O15 Te1"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_... |
ChangeAtomAction | 9cc286fb-e02a-4eb6-add8-f3c22b7d38db | mp-1073003 | Change the atom at index 15 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_gro... | data_image0
_chemical_formula_structural Mg8Si7FrSi4
_chemical_formula_sum "Mg8 Si11 Fr1"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_s... |
ChangeAtomAction | 8c19ccad-21e0-41af-9eb6-09582cb1ee50 | mp-542864 | Change the atom at index 13 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Ni2H24S4O28
_chemical_formula_sum "Na4 Ni2 H24 S4 O28"
_cell_length_a 11.998646
_cell_length_b 6.011579
_cell_length_c 8.8819732
_cell_angle_alpha 76.01844686
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Na4Ni2H7CnH16S4O28
_chemical_formula_sum "Na4 Ni2 H23 Cn1 S4 O28"
_cell_length_a 11.998646
_cell_length_b 6.011579
_cell_length_c 8.8819732
_cell_angle_alpha 76.01844686
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | 9475d369-26a0-4e8a-be21-6014f704cdf3 | mp-554739 | Change the atom at index 24 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural C12I4Cl4O4FlO3F24
_chemical_formula_sum "C12 I4 Cl4 O7 Fl1 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | d0ddcabf-72cd-44d1-bb71-3c022c29f2dc | mp-557497 | Change the atom at index 62 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pr4Nb22O36ThO23
_chemical_formula_sum "Pr4 Nb22 O59 Th1"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_nam... |
ChangeAtomAction | bbf97cd6-5cc5-4bb8-9291-411fb3603bea | mp-755663 | Change the atom at index 3 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta3CsPb4O14
_chemical_formula_sum "Ta3 Cs1 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_... |
ChangeAtomAction | 27b42ce5-484e-48fa-9c91-91b2aee9805f | mp-1331651 | Change the atom at index 2 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li2BLiMn3V3Sb2O16
_chemical_formula_sum "Li3 B1 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_sp... |
ChangeAtomAction | 9f987df5-b895-479a-a6cc-753c6ed94259 | mp-27382 | Change the atom at index 1 into Ag in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural UAgU6Tl8F40
_chemical_formula_sum "U7 Ag1 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | e6beba5e-8cb1-4a69-ac95-8140ae0885f0 | mp-1046963 | Change the atom at index 4 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaZnCu4O8
_chemical_formula_sum "Ba1 Zn1 Cu4 O8"
_cell_length_a 5.30967127
_cell_length_b 5.309671269999999
_cell_length_c 7.156594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999096
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural BaZnCu2CsCuO8
_chemical_formula_sum "Ba1 Zn1 Cu3 Cs1 O8"
_cell_length_a 5.30967127
_cell_length_b 5.309671269999999
_cell_length_c 7.156594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999096
_space_group_na... |
ChangeAtomAction | db6eaa3b-66e7-4ec4-857a-30b8bc9a6bea | mp-1223525 | Change the atom at index 11 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu3PrO16
_chemical_formula_sum "K1 La7 Cu3 Pr1 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5... |
ChangeAtomAction | 7f15383c-b287-4893-b9ec-b3eede126815 | mp-780531 | Change the atom at index 1 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Mn12O32
_chemical_formula_sum "Na12 Mn12 O32"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_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 NaWNa10Mn12O32
_chemical_formula_sum "Na11 W1 Mn12 O32"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 47fafd99-b6e2-470e-b8b1-69212abb8af6 | mp-1225501 | Change the atom at index 19 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy6Al6Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_gro... | data_image0
_chemical_formula_structural Dy6Al6Fe7FmFe4
_chemical_formula_sum "Dy6 Al6 Fe11 Fm1"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_s... |
ChangeAtomAction | 39214787-a81d-48e6-a6ae-42420d1839fb | mp-1214345 | Change the atom at index 17 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Si24Pt10
_chemical_formula_sum "Ba2 Si24 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667499999... | data_image0
_chemical_formula_structural Ba2Si15YSi8Pt10
_chemical_formula_sum "Ba2 Si23 Y1 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.656666... |
ChangeAtomAction | 3b524604-3560-4ed0-a528-3ee208b90520 | mp-758514 | Change the atom at index 49 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Fe6P8O32
_chemical_formula_sum "Li6 Fe6 P8 O32"
_cell_length_a 8.527769
_cell_length_b 9.21324108
_cell_length_c 10.03660871
_cell_angle_alpha 108.15266091
_cell_angle_beta 105.36546497
_cell_angle_gamma 109.61331428000001
_spac... | data_image0
_chemical_formula_structural Li6Fe6P8O29KO2
_chemical_formula_sum "Li6 Fe6 P8 O31 K1"
_cell_length_a 8.527769
_cell_length_b 9.21324108
_cell_length_c 10.03660871
_cell_angle_alpha 108.15266091
_cell_angle_beta 105.36546497
_cell_angle_gamma 109.61331428000001
... |
ChangeAtomAction | 2a15afa3-900c-4a0a-add4-f4c7fa49a79b | mp-1245175 | Change the atom at index 31 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta50N50
_chemical_formula_sum "Ta50 N50"
_cell_length_a 11.09207323
_cell_length_b 10.63223837
_cell_length_c 10.97325726
_cell_angle_alpha 90.47321580999999
_cell_angle_beta 91.80549763
_cell_angle_gamma 87.44350961
_space_group_n... | data_image0
_chemical_formula_structural Ta31CoTa18N50
_chemical_formula_sum "Ta49 Co1 N50"
_cell_length_a 11.09207323
_cell_length_b 10.63223837
_cell_length_c 10.97325726
_cell_angle_alpha 90.47321580999999
_cell_angle_beta 91.80549763
_cell_angle_gamma 87.44350961
_spa... |
ChangeAtomAction | 5b38076f-499b-4087-813e-af5f18762804 | mp-775339 | Change the atom at index 15 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si9TeSi2O30
_chemical_formula_sum "Li4 V2 Si11 Te1 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamm... |
ChangeAtomAction | 1ef5b5fe-ef3c-4f88-bb27-b385eff42745 | mp-649415 | Change the atom at index 21 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural K4Bi4N4Cl9ICl2O12
_chemical_formula_sum "K4 Bi4 N4 Cl11 I1 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
ChangeAtomAction | cf0f47ef-faff-4f24-ac23-cec9027e10bf | mp-21827 | Change the atom at index 30 into Eu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In18Cu8Se32
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_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 In18Cu8Se4EuSe27
_chemical_formula_sum "In18 Cu8 Se31 Eu1"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | cbcc70ba-48b9-40ce-85c9-41811b49ad67 | mp-1196507 | Change the atom at index 36 into Ag in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K36Fe8O32
_chemical_formula_sum "K36 Fe8 O32"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_space_gr... | data_image0
_chemical_formula_structural K36AgFe7O32
_chemical_formula_sum "K36 Ag1 Fe7 O32"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_sp... |
ChangeAtomAction | 3af09b86-b4a5-41ad-9735-da6ab9f2c747 | mp-1239205 | Change the atom at index 1 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta2Cr6Ag4S16
_chemical_formula_sum "Ta2 Cr6 Ag4 S16"
_cell_length_a 6.023637
_cell_length_b 6.927959
_cell_length_c 14.957959830000002
_cell_angle_alpha 62.36883373999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural TaNpCr6Ag4S16
_chemical_formula_sum "Ta1 Np1 Cr6 Ag4 S16"
_cell_length_a 6.023637
_cell_length_b 6.927959
_cell_length_c 14.957959830000002
_cell_angle_alpha 62.36883373999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
ChangeAtomAction | ca81ad4b-eeab-4d77-ae10-f0cc81c55f44 | mp-1038443 | 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 HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_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 HfMg4EsMg25CdO32
_chemical_formula_sum "Hf1 Mg29 Es1 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 085942b9-88e3-42d8-ab17-42e8c86ad3a8 | mp-1235910 | Change the atom at index 6 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... | data_image0
_chemical_formula_structural LiMn5ArO4F8
_chemical_formula_sum "Li1 Mn5 Ar1 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634... |
ChangeAtomAction | 21f18ca8-3326-4d4b-a936-4c310b1f0dcf | mp-675818 | Change the atom at index 16 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li11TiAs4Db
_chemical_formula_sum "Li11 Ti1 As4 Db1"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2... |
ChangeAtomAction | ec019cd3-a875-4dea-a6b3-948748bdbdf0 | mp-678 | Change the atom at index 58 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag4TiAg12
_chemical_formula_sum "Mg54 Ag16 Ti1"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_gro... |
ChangeAtomAction | 81f721fd-e813-4800-b229-88106102ebb2 | mp-1218836 | Change the atom at index 15 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.38... | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O8Tb
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O8 Tb1"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma ... |
ChangeAtomAction | a9006aba-30d0-44a0-a39e-15f902ff67d5 | mp-21827 | Change the atom at index 4 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In18Cu8Se32
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_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 In4BaIn13Cu8Se32
_chemical_formula_sum "In17 Ba1 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 1b1889ce-23e4-43a0-b684-62b150efbbb6 | mp-20843 | Change the atom at index 8 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4In2Pd4
_chemical_formula_sum "Sr4 In2 Pd4"
_cell_length_a 6.05803228
_cell_length_b 6.04504045
_cell_length_c 8.37278286
_cell_angle_alpha 101.75932553
_cell_angle_beta 90.0
_cell_angle_gamma 120.07111383
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sr4In2Pd2ClPd
_chemical_formula_sum "Sr4 In2 Pd3 Cl1"
_cell_length_a 6.05803228
_cell_length_b 6.04504045
_cell_length_c 8.37278286
_cell_angle_alpha 101.75932553
_cell_angle_beta 90.0
_cell_angle_gamma 120.07111383
_space_group_na... |
ChangeAtomAction | 1d0ffea6-a254-4d34-8ee1-70a10f69f469 | mp-1191856 | Change the atom at index 20 into Pb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In4As4Cl4O10
_chemical_formula_sum "In4 As4 Cl4 O10"
_cell_length_a 6.843761
_cell_length_b 7.6331631
_cell_length_c 9.17066783
_cell_angle_alpha 108.41518677
_cell_angle_beta 104.79502943000001
_cell_angle_gamma 102.17767142999999
... | data_image0
_chemical_formula_structural In4As4Cl4O8PbO
_chemical_formula_sum "In4 As4 Cl4 O9 Pb1"
_cell_length_a 6.843761
_cell_length_b 7.6331631
_cell_length_c 9.17066783
_cell_angle_alpha 108.41518677
_cell_angle_beta 104.79502943000001
_cell_angle_gamma 102.1776714299... |
ChangeAtomAction | ca786be8-8aa1-49f6-9ca7-a9236f3004fb | mp-569776 | Change the atom at index 9 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Ni12
_chemical_formula_sum "Ta4 Ni12"
_cell_length_a 4.50048397
_cell_length_b 5.0775531
_cell_length_c 8.564185050000003
_cell_angle_alpha 90.0
_cell_angle_beta 100.87707586
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ta4Ni5SNi6
_chemical_formula_sum "Ta4 Ni11 S1"
_cell_length_a 4.50048397
_cell_length_b 5.0775531
_cell_length_c 8.564185050000003
_cell_angle_alpha 90.0
_cell_angle_beta 100.87707586
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 3bf296c3-b2d1-4ccd-b228-cb3833c85bf9 | mp-1204170 | Change the atom at index 8 into Ag in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg10C8O36
_chemical_formula_sum "Mg10 C8 O36"
_cell_length_a 10.22997894
_cell_length_b 10.22997894
_cell_length_c 9.092686
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.37519941
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg8AgMgC8O36
_chemical_formula_sum "Mg9 Ag1 C8 O36"
_cell_length_a 10.22997894
_cell_length_b 10.22997894
_cell_length_c 9.092686
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.37519941
_space_group_name_H-M_alt... |
ChangeAtomAction | 12ff372f-2bc7-4214-82a0-5a33ceb8e328 | mp-1179595 | 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 Sb6O28
_chemical_formula_sum "Sb6 O28"
_cell_length_a 14.943285
_cell_length_b 5.856034
_cell_length_c 5.863911219999999
_cell_angle_alpha 71.72741294
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb2ReSb3O28
_chemical_formula_sum "Sb5 Re1 O28"
_cell_length_a 14.943285
_cell_length_b 5.856034
_cell_length_c 5.863911219999999
_cell_angle_alpha 71.72741294
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | db058226-dc29-42b3-a022-e574c776ded9 | mp-1029491 | Change the atom at index 8 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Co4N4
_chemical_formula_sum "Cs4 Co4 N4"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_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 Cs4Co4MtN3
_chemical_formula_sum "Cs4 Co4 Mt1 N3"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_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 | 84045c99-cdd3-4111-9aa4-77641b493de8 | mp-583615 | Change the atom at index 8 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12In8As12
_chemical_formula_sum "K12 In8 As12"
_cell_length_a 10.51184083
_cell_length_b 10.51184083
_cell_length_c 14.88376899
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 142.13376966
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8TiK3In8As12
_chemical_formula_sum "K11 Ti1 In8 As12"
_cell_length_a 10.51184083
_cell_length_b 10.51184083
_cell_length_c 14.88376899
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 142.13376966
_space_group_name_H... |
ChangeAtomAction | 91d6b298-0685-4ad1-b784-725d0debf4c8 | mp-603241 | Change the atom at index 16 into Tm 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 Ba4Fe4Si8TmSi7O40
_chemical_formula_sum "Ba4 Fe4 Si15 Tm1 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 89.99... |
ChangeAtomAction | 455c9454-86a4-450c-a1d9-5225efed86fc | mp-560378 | Change the atom at index 72 into Ac in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca12Ta16O48F8
_chemical_formula_sum "Ca12 Ta16 O48 F8"
_cell_length_a 10.538277
_cell_length_b 10.538277
_cell_length_c 10.538277
_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 Ca12Ta16O44AcO3F8
_chemical_formula_sum "Ca12 Ta16 O47 Ac1 F8"
_cell_length_a 10.538277
_cell_length_b 10.538277
_cell_length_c 10.538277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | e9cc1193-dfb9-4c5c-8c02-09d37771a15e | mp-1193265 | 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 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 Na9RhNa2Sb4Se12
_chemical_formula_sum "Na11 Rh1 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 | 09fefa23-c388-4eec-bf3c-c4a9021ec77b | mp-1205001 | 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 Os8Xe4O24F40
_chemical_formula_sum "Os8 Xe4 O24 F40"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_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 Os8Xe4O24F16CdF23
_chemical_formula_sum "Os8 Xe4 O24 F39 Cd1"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 9066bd65-5056-431e-b729-897f71e90ab2 | mp-1103158 | Change the atom at index 4 into Dy in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Ge4Ir4
_chemical_formula_sum "Ti4 Ge4 Ir4"
_cell_length_a 3.94684421
_cell_length_b 6.29461026
_cell_length_c 7.36967752
_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 Ti4DyGe3Ir4
_chemical_formula_sum "Ti4 Dy1 Ge3 Ir4"
_cell_length_a 3.94684421
_cell_length_b 6.29461026
_cell_length_c 7.36967752
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 57945cf0-4a19-436d-8da0-05ba5db5a829 | mp-757418 | Change the atom at index 47 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... | data_image0
_chemical_formula_structural KTi16O30CrO
_chemical_formula_sum "K1 Ti16 O31 Cr1"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_spa... |
ChangeAtomAction | c6039196-587e-4a7d-a19e-412df072b103 | mp-1175318 | Change the atom at index 27 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.9583734
_sp... | data_image0
_chemical_formula_structural Li14Mn10O3IrO20
_chemical_formula_sum "Li14 Mn10 O23 Ir1"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.9583... |
ChangeAtomAction | 7c569d09-4d9f-4f8e-ab40-1d86fd5a3e84 | mp-774335 | Change the atom at index 20 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn16P16O56
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_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 Sn16P4IP11O56
_chemical_formula_sum "Sn16 P15 I1 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | d8ca595f-ee06-4c38-896f-da56114d5fcf | mp-1196015 | Change the atom at index 8 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 Cs8RuP3Au4S16
_chemical_formula_sum "Cs8 Ru1 P3 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | cdf98319-1377-424a-9712-9f667273cb26 | mp-2215121 | Change the atom at index 0 into Eu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... | data_image0
_chemical_formula_structural EuCo3NiO8
_chemical_formula_sum "Eu1 Co3 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364... |
ChangeAtomAction | 71039e91-50a3-4e05-8ea4-678e194d9f88 | mp-1195795 | Change the atom at index 33 into Bi in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S18BiS3
_chemical_formula_sum "La4 Y11 S21 Bi1"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
... |
ChangeAtomAction | 80530b07-7eb6-4116-aaec-9bb949de0fb3 | mp-1173233 | Change the atom at index 3 into Dy in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural Sr3DyCu2Bi4O12
_chemical_formula_sum "Sr3 Dy1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... |
ChangeAtomAction | f6d1782b-9734-4852-8ece-150d1ea2cf18 | mp-1175381 | Change the atom at index 22 into Bi in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... | data_image0
_chemical_formula_structural Li9Co7O6BiO9
_chemical_formula_sum "Li9 Co7 O15 Bi1"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_sp... |
ChangeAtomAction | 1341b99a-123b-4b0f-8045-0cf56e7cd7e1 | mp-1185716 | Change the atom at index 12 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... | data_image0
_chemical_formula_structural Mg12GaMg3Al12V
_chemical_formula_sum "Mg15 Ga1 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914... |
ChangeAtomAction | 2a769834-bc1f-4a84-99be-9b21ba3e112b | mp-770394 | Change the atom at index 37 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na10Fe4P4C4O28
_chemical_formula_sum "Na10 Fe4 P4 C4 O28"
_cell_length_a 6.68731
_cell_length_b 8.97397999
_cell_length_c 10.46054342
_cell_angle_alpha 90.26436813999999
_cell_angle_beta 90.25765964
_cell_angle_gamma 90.59874483
_s... | data_image0
_chemical_formula_structural Na10Fe4P4C4O15AsO12
_chemical_formula_sum "Na10 Fe4 P4 C4 O27 As1"
_cell_length_a 6.68731
_cell_length_b 8.97397999
_cell_length_c 10.46054342
_cell_angle_alpha 90.26436813999999
_cell_angle_beta 90.25765964
_cell_angle_gamma 90.598... |
ChangeAtomAction | a420bad5-d2a1-40ff-8b4b-56476531b0ab | mp-975336 | Change the atom at index 6 into Eu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural K4C2EuCS4N4
_chemical_formula_sum "K4 C3 Eu1 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | 7759b27c-5b57-4d02-9c75-483a2ff067c9 | mp-2460 | Change the atom at index 2 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er6O9
_chemical_formula_sum "Er6 O9"
_cell_length_a 3.43167153
_cell_length_b 7.10234264
_cell_length_c 8.48446669
_cell_angle_alpha 99.89320707
_cell_angle_beta 90.00002786999998
_cell_angle_gamma 103.97785276
_space_group_name_H-... | data_image0
_chemical_formula_structural Er2LiEr3O9
_chemical_formula_sum "Er5 Li1 O9"
_cell_length_a 3.43167153
_cell_length_b 7.10234264
_cell_length_c 8.48446669
_cell_angle_alpha 99.89320707
_cell_angle_beta 90.00002786999998
_cell_angle_gamma 103.97785276
_space_grou... |
ChangeAtomAction | a2e34b8f-3ebd-4aa3-80fc-c220cd9b5bce | mp-4584 | Change the atom at index 9 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl6B2O6
_chemical_formula_sum "Tl6 B2 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tl6B2OHeO4
_chemical_formula_sum "Tl6 B2 O5 He1"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt ... |
ChangeAtomAction | 889bb6a4-64fb-482a-b287-a85cedcc2d24 | mp-1191148 | Change the atom at index 16 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Cu4B4O12
_chemical_formula_sum "Sr2 Cu4 B4 O12"
_cell_length_a 7.28681241
_cell_length_b 7.28681241
_cell_length_c 7.286813030000001
_cell_angle_alpha 102.71824613
_cell_angle_beta 102.7182562
_cell_angle_gamma 124.03409063000001... | data_image0
_chemical_formula_structural Sr2Cu4B4O6HgO5
_chemical_formula_sum "Sr2 Cu4 B4 O11 Hg1"
_cell_length_a 7.28681241
_cell_length_b 7.28681241
_cell_length_c 7.286813030000001
_cell_angle_alpha 102.71824613
_cell_angle_beta 102.7182562
_cell_angle_gamma 124.0340906... |
ChangeAtomAction | b9f66e11-da16-423c-9b82-57ad67a3d0cc | mp-1199432 | Change the atom at index 25 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al2FeP2H18O18
_chemical_formula_sum "Al2 Fe1 P2 H18 O18"
_cell_length_a 5.26297988
_cell_length_b 7.0316164
_cell_length_c 10.34434355
_cell_angle_alpha 96.11274837
_cell_angle_beta 101.34742511
_cell_angle_gamma 110.46688023
_spac... | data_image0
_chemical_formula_structural Al2FeP2H18O2SbO15
_chemical_formula_sum "Al2 Fe1 P2 H18 O17 Sb1"
_cell_length_a 5.26297988
_cell_length_b 7.0316164
_cell_length_c 10.34434355
_cell_angle_alpha 96.11274837
_cell_angle_beta 101.34742511
_cell_angle_gamma 110.4668802... |
ChangeAtomAction | 803680b0-ebd3-4b2f-bcf2-55ae91683f65 | mp-997515 | Change the atom at index 4 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Fe16O24
_chemical_formula_sum "Li2 Fe16 O24"
_cell_length_a 5.97719948
_cell_length_b 5.99319591
_cell_length_c 13.44468737
_cell_angle_alpha 103.09989205
_cell_angle_beta 103.09598309
_cell_angle_gamma 89.9428753
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe2HfFe13O24
_chemical_formula_sum "Li2 Fe15 Hf1 O24"
_cell_length_a 5.97719948
_cell_length_b 5.99319591
_cell_length_c 13.44468737
_cell_angle_alpha 103.09989205
_cell_angle_beta 103.09598309
_cell_angle_gamma 89.9428753
_spac... |
ChangeAtomAction | d8595f44-e871-411d-83fc-2c9e843007d8 | mp-753980 | Change the atom at index 11 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... | data_image0
_chemical_formula_structural Li4Mn2TeWO3RuO8
_chemical_formula_sum "Li4 Mn2 Te1 W1 O11 Ru1"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma ... |
ChangeAtomAction | 208fa612-6fe6-476b-b40b-9697f49be73e | mp-1022964 | Change the atom at index 0 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y2Mg12Cu2
_chemical_formula_sum "Y2 Mg12 Cu2"
_cell_length_a 4.954655
_cell_length_b 6.058748
_cell_length_c 12.047795
_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 AsYMg12Cu2
_chemical_formula_sum "As1 Y1 Mg12 Cu2"
_cell_length_a 4.954655
_cell_length_b 6.058748
_cell_length_c 12.047795
_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 | 873a2b83-3d60-43e2-9c5a-b19269818ed6 | mp-1214614 | Change the atom at index 44 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Ga6Ge40
_chemical_formula_sum "Ba8 Ga6 Ge40"
_cell_length_a 11.04858372
_cell_length_b 11.04858372
_cell_length_c 11.04858372
_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 Ba8Ga6Ge30AlGe9
_chemical_formula_sum "Ba8 Ga6 Ge39 Al1"
_cell_length_a 11.04858372
_cell_length_b 11.04858372
_cell_length_c 11.04858372
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | a1a76f88-8910-4c4f-ba14-257fc6f8e3ba | mp-2713621 | Change the atom at index 18 into Cm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti2CmTiSi8P4O48
_chemical_formula_sum "Na12 Zr4 Ti3 Cm1 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamm... |
ChangeAtomAction | 7450451f-50a5-43a9-8275-7390f1aa63df | mp-1359845 | Change the atom at index 24 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2Cu4P8O10FlO17
_chemical_formula_sum "Ca2 Cu4 P8 O27 Fl1"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_spac... |
ChangeAtomAction | 8b1c89f6-717a-439e-b5e4-b2b201146b4a | mp-1189731 | Change the atom at index 5 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P4Br12O4
_chemical_formula_sum "P4 Br12 O4"
_cell_length_a 6.564227
_cell_length_b 10.251911
_cell_length_c 10.600444
_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 P4BrAmBr10O4
_chemical_formula_sum "P4 Br11 Am1 O4"
_cell_length_a 6.564227
_cell_length_b 10.251911
_cell_length_c 10.600444
_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 | c87b5f70-9a2e-4f72-992a-c673fc626a73 | mp-545404 | 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 SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2Al2O3CnO3
_chemical_formula_sum "Sr1 Gd2 Al2 O6 Cn1"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999... |
ChangeAtomAction | 631bf149-fa16-4e2e-b933-10c0d6e4ff7d | mp-1200624 | Change the atom at index 8 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... | data_image0
_chemical_formula_structural K4V4ArVP8O40
_chemical_formula_sum "K4 V5 Ar1 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_sp... |
ChangeAtomAction | 7dae47eb-4360-4f0d-af30-03f42cf4e610 | mp-630329 | Change the atom at index 15 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb8Se7SnO24
_chemical_formula_sum "Pb8 Se7 Sn1 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | b5cd4440-d16f-41b9-82d6-c5334e13a465 | mp-1174059 | Change the atom at index 10 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5MnCo2O8
_chemical_formula_sum "Li5 Mn1 Co2 O8"
_cell_length_a 9.75348313
_cell_length_b 9.75348313
_cell_length_c 5.094650180000001
_cell_angle_alpha 86.21867935
_cell_angle_beta 86.21867935
_cell_angle_gamma 17.041642740000004
... | data_image0
_chemical_formula_structural Li5MnCo2O2HfO5
_chemical_formula_sum "Li5 Mn1 Co2 O7 Hf1"
_cell_length_a 9.75348313
_cell_length_b 9.75348313
_cell_length_c 5.094650180000001
_cell_angle_alpha 86.21867935
_cell_angle_beta 86.21867935
_cell_angle_gamma 17.041642740... |
ChangeAtomAction | 68950dc1-9d0e-41a8-94fe-86e28472d361 | mp-1190647 | 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 Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge5EsF16
_chemical_formula_sum "Ge5 Es1 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 10409852-5233-4855-80db-956e133669e6 | mp-753124 | Change the atom at index 11 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba5Bi3O11
_chemical_formula_sum "Ba5 Bi3 O11"
_cell_length_a 6.28351456
_cell_length_b 6.2835145599999995
_cell_length_c 9.235104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.03880228
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba5Bi3O3BkO7
_chemical_formula_sum "Ba5 Bi3 O10 Bk1"
_cell_length_a 6.28351456
_cell_length_b 6.2835145599999995
_cell_length_c 9.235104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.03880228
_space_group_name_H... |
ChangeAtomAction | 97570937-7792-4ef5-8c05-41b25073797c | mp-1196133 | Change the atom at index 41 into La in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U8P4Cl44O4
_chemical_formula_sum "U8 P4 Cl44 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_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 U8P4Cl29LaCl14O4
_chemical_formula_sum "U8 P4 Cl43 La1 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 36247f4e-f68f-45e0-be6b-02c825476221 | mp-24402 | Change the atom at index 1 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Al4Si4H4O20
_chemical_formula_sum "Ca4 Al4 Si4 H4 O20"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_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 CaCfCa2Al4Si4H4O20
_chemical_formula_sum "Ca3 Cf1 Al4 Si4 H4 O20"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | 780f20f8-a8a1-4baf-993f-db5c241ee317 | mp-1020590 | Change the atom at index 7 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8N3O
_chemical_formula_sum "Na8 N3 O1"
_cell_length_a 5.788327
_cell_length_b 5.788327
_cell_length_c 5.788327
_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 Na7MtN3O
_chemical_formula_sum "Na7 Mt1 N3 O1"
_cell_length_a 5.788327
_cell_length_b 5.788327
_cell_length_c 5.788327
_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 | 5adc68c8-ef4d-4142-b770-1161b57b14a4 | mp-22385 | Change the atom at index 5 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NpAl8Fe4
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_space... | data_image0
_chemical_formula_structural NpAl4TeAl3Fe4
_chemical_formula_sum "Np1 Al7 Te1 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.1564514... |
ChangeAtomAction | 8934bcb8-eea2-4019-a971-57e10edee9a5 | mp-26198 | Change the atom at index 29 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4P8O28
_chemical_formula_sum "Co4 P8 O28"
_cell_length_a 6.14724177
_cell_length_b 6.147241770000001
_cell_length_c 12.929038539999999
_cell_angle_alpha 75.27262183
_cell_angle_beta 75.27262183
_cell_angle_gamma 80.94715248
_spac... | data_image0
_chemical_formula_structural Co4P8O17SmO10
_chemical_formula_sum "Co4 P8 O27 Sm1"
_cell_length_a 6.14724177
_cell_length_b 6.147241770000001
_cell_length_c 12.929038539999999
_cell_angle_alpha 75.27262183
_cell_angle_beta 75.27262183
_cell_angle_gamma 80.947152... |
ChangeAtomAction | 3f4d9562-7435-4709-be07-177d3d6d0982 | mp-774670 | Change the atom at index 0 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3Cu3Sn2O16
_chemical_formula_sum "Li4 Mn3 Cu3 Sn2 O16"
_cell_length_a 5.95631685
_cell_length_b 5.90008281
_cell_length_c 9.68288621
_cell_angle_alpha 89.97640245
_cell_angle_beta 89.09654226
_cell_angle_gamma 119.7738885699999... | data_image0
_chemical_formula_structural YbLi3Mn3Cu3Sn2O16
_chemical_formula_sum "Yb1 Li3 Mn3 Cu3 Sn2 O16"
_cell_length_a 5.95631685
_cell_length_b 5.90008281
_cell_length_c 9.68288621
_cell_angle_alpha 89.97640245
_cell_angle_beta 89.09654226
_cell_angle_gamma 119.7738885... |
ChangeAtomAction | 7db4e33d-3a1c-4718-948d-48ec8b677268 | mp-1522640 | Change the atom at index 5 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaCeEuGeO6
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural CaCeEuGeONdO4
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O5 Nd1"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... |
ChangeAtomAction | 67d6525e-984f-4680-85fc-7939e323737d | mp-29185 | Change the atom at index 8 into Bh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O4BhOF4
_chemical_formula_sum "Te4 O5 Bh1 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.678314099999... |
ChangeAtomAction | 2aba9c5c-72cc-4c68-bcc2-6a846e00ffaa | mp-752533 | 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 Sr2La4O8
_chemical_formula_sum "Sr2 La4 O8"
_cell_length_a 6.24234218
_cell_length_b 6.24234218
_cell_length_c 11.561748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.65723719000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2La4ZrO7
_chemical_formula_sum "Sr2 La4 Zr1 O7"
_cell_length_a 6.24234218
_cell_length_b 6.24234218
_cell_length_c 11.561748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.65723719000002
_space_group_name_H-M_... |
ChangeAtomAction | b3451b6b-6878-4619-bc3e-5676339b4845 | mp-1105286 | Change the atom at index 0 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural McEu8Pd6
_chemical_formula_sum "Mc1 Eu8 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group... |
ChangeAtomAction | 58ad17e0-b53f-478c-b800-82948b4f4905 | mp-26228 | Change the atom at index 25 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O13MtO14
_chemical_formula_sum "V4 P8 O27 Mt1"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.383... |
ChangeAtomAction | 7598f246-b4fc-40cc-9f31-85dc405c6404 | mp-1209131 | Change the atom at index 52 into Rg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sn27Pd25RgPd13
_chemical_formula_sum "Sn27 Pd38 Rg1"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt... |
ChangeAtomAction | 385083ba-a3b9-4da6-adf7-0c840929aefb | mp-1218859 | Change the atom at index 9 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Ca2Ti6O18
_chemical_formula_sum "Sr4 Ca2 Ti6 O18"
_cell_length_a 12.39689951
_cell_length_b 12.38982443
_cell_length_c 5.55699853
_cell_angle_alpha 77.11570031
_cell_angle_beta 76.97351799
_cell_angle_gamma 25.91078169999999
_sp... | data_image0
_chemical_formula_structural Sr4Ca2Ti3RbTi2O18
_chemical_formula_sum "Sr4 Ca2 Ti5 Rb1 O18"
_cell_length_a 12.39689951
_cell_length_b 12.38982443
_cell_length_c 5.55699853
_cell_angle_alpha 77.11570031
_cell_angle_beta 76.97351799
_cell_angle_gamma 25.9107816999... |
ChangeAtomAction | 127bfdfc-678f-47d6-a9dc-26ba6e0777c2 | mp-26118 | Change the atom at index 57 into Tm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn8P12O48
_chemical_formula_sum "Li4 Mn8 P12 O48"
_cell_length_a 8.492028
_cell_length_b 8.225922
_cell_length_c 11.70736746
_cell_angle_alpha 89.96285947999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Mn8P12O33TmO14
_chemical_formula_sum "Li4 Mn8 P12 O47 Tm1"
_cell_length_a 8.492028
_cell_length_b 8.225922
_cell_length_c 11.70736746
_cell_angle_alpha 89.96285947999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
ChangeAtomAction | 5ebe6bed-4faa-4133-8e68-1051437bd6c6 | mp-1192151 | Change the atom at index 3 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb3TlZn10As8
_chemical_formula_sum "Rb3 Tl1 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_gro... |
ChangeAtomAction | 9c4b5408-3f55-4e20-8d4e-076e287396c8 | mp-849991 | Change the atom at index 71 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li24Fe12F48
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li24Fe12F35NoF12
_chemical_formula_sum "Li24 Fe12 F47 No1"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | 65f09a54-752c-4f58-902b-ecb15d27a241 | mp-2228948 | Change the atom at index 15 into Mo 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 MgSb2P2H2O8MoO
_chemical_formula_sum "Mg1 Sb2 P2 H2 O9 Mo1"
_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.... |
ChangeAtomAction | e1b286ca-058d-4821-a1f6-39fd63ff91d8 | mp-1218930 | Change the atom at index 20 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Ca2Cu4Bi4O16
_chemical_formula_sum "Sr4 Ca2 Cu4 Bi4 O16"
_cell_length_a 16.11398919
_cell_length_b 16.11398919
_cell_length_c 5.417115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.44549941
_space_group_name... | data_image0
_chemical_formula_structural Sr4Ca2Cu4Bi4O6CO9
_chemical_formula_sum "Sr4 Ca2 Cu4 Bi4 O15 C1"
_cell_length_a 16.11398919
_cell_length_b 16.11398919
_cell_length_c 5.417115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.44549941
_space_group... |
ChangeAtomAction | 788f20f1-c13f-4772-8149-ce29d921822d | mp-1212542 | Change the atom at index 23 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H18C6I2N12O2
_chemical_formula_sum "H18 C6 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spa... | data_image0
_chemical_formula_structural H18C5ArI2N12O2
_chemical_formula_sum "H18 C5 Ar1 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428... |
ChangeAtomAction | fbfe9f5d-18eb-49dc-8141-84ac87689674 | mp-1106213 | Change the atom at index 8 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd4Mg2Ir2ZrO11
_chemical_formula_sum "Nd4 Mg2 Ir2 Zr1 O11"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | 3589040b-50ff-4d6f-b3e0-31b7e833ddb2 | mp-26553 | Change the atom at index 8 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn3P4O14
_chemical_formula_sum "Li2 Mn3 P4 O14"
_cell_length_a 5.666978
_cell_length_b 6.9959771
_cell_length_c 7.509740429999999
_cell_angle_alpha 73.95862277
_cell_angle_beta 81.95472473999999
_cell_angle_gamma 67.66943656
_sp... | data_image0
_chemical_formula_structural Li2Mn3P3DbO14
_chemical_formula_sum "Li2 Mn3 P3 Db1 O14"
_cell_length_a 5.666978
_cell_length_b 6.9959771
_cell_length_c 7.509740429999999
_cell_angle_alpha 73.95862277
_cell_angle_beta 81.95472473999999
_cell_angle_gamma 67.6694365... |
ChangeAtomAction | 87fec8ea-aaf2-4259-85be-70f376a5624d | mp-1195825 | Change the atom at index 3 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si3SnSi8Br24
_chemical_formula_sum "Si11 Sn1 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.5854698499999... |
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