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 | ebb1ee49-cf63-44b0-a062-80d8bcb6d487 | mp-1180605 | Change the atom at index 36 into Pa in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Al2S4O38
_chemical_formula_sum "Na2 Al2 S4 O38"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.456240189... | data_image0
_chemical_formula_structural Na2Al2S4O28PaO9
_chemical_formula_sum "Na2 Al2 S4 O37 Pa1"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.4... |
ChangeAtomAction | e717f0a3-7bec-4a8e-b927-81e1a940e13e | mp-22991 | Change the atom at index 5 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2V2I6
_chemical_formula_sum "Cs2 V2 I6"
_cell_length_a 8.23111885
_cell_length_b 8.23111858
_cell_length_c 6.9510579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.98621892
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cs2V2IZrI4
_chemical_formula_sum "Cs2 V2 I5 Zr1"
_cell_length_a 8.23111885
_cell_length_b 8.23111858
_cell_length_c 6.9510579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.98621892
_space_group_name_H-M_alt ... |
ChangeAtomAction | df316afb-a776-4e6e-8663-73a949926ea0 | mp-1208371 | Change the atom at index 16 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Tl4N8Cl4AmCl15O4
_chemical_formula_sum "Tl4 N8 Cl19 Am1 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 965a8aea-d8f1-409a-bb8b-4d91a224c7d5 | mp-1196536 | Change the atom at index 7 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Np8Se4O36
_chemical_formula_sum "Np8 Se4 O36"
_cell_length_a 6.936237
_cell_length_b 7.026773
_cell_length_c 16.16707673
_cell_angle_alpha 89.58419548
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Np7PoSe4O36
_chemical_formula_sum "Np7 Po1 Se4 O36"
_cell_length_a 6.936237
_cell_length_b 7.026773
_cell_length_c 16.16707673
_cell_angle_alpha 89.58419548
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | f77b2fd8-ced4-4ef0-95ce-8d7876d53650 | mp-1196507 | Change the atom at index 13 into Cf 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 K13CfK22Fe8O32
_chemical_formula_sum "K35 Cf1 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
... |
ChangeAtomAction | 712c37f0-c198-4d66-a35a-6d5da9976973 | mp-34376 | Change the atom at index 3 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Cd2S8
_chemical_formula_sum "Tb4 Cd2 S8"
_cell_length_a 7.30690212
_cell_length_b 7.30690212
_cell_length_c 7.30690212
_cell_angle_alpha 110.44193812999998
_cell_angle_beta 110.44193812999998
_cell_angle_gamma 107.54675677
_spac... | data_image0
_chemical_formula_structural Tb3FeCd2S8
_chemical_formula_sum "Tb3 Fe1 Cd2 S8"
_cell_length_a 7.30690212
_cell_length_b 7.30690212
_cell_length_c 7.30690212
_cell_angle_alpha 110.44193812999998
_cell_angle_beta 110.44193812999998
_cell_angle_gamma 107.54675677
... |
ChangeAtomAction | 7dc57f1e-6037-4656-928b-b848b57db681 | mp-765621 | Change the atom at index 22 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4F20
_chemical_formula_sum "V4 F20"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural V4F18TcF
_chemical_formula_sum "V4 F19 Tc1"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_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 | 90758865-e2e0-45c1-8fc2-64bd9129052e | mp-1029491 | Change the atom at index 4 into O 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 Cs4OCo3N4
_chemical_formula_sum "Cs4 O1 Co3 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_... |
ChangeAtomAction | 17eade62-7efd-4c3d-8fa5-ed041d77c035 | mp-1195683 | Change the atom at index 31 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na10Lu2H8C8O28
_chemical_formula_sum "Na10 Lu2 H8 C8 O28"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na10Lu2H8C8O3ZnO24
_chemical_formula_sum "Na10 Lu2 H8 C8 O27 Zn1"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 91b421a4-f648-4e3f-a201-d48b5b58b090 | mp-753328 | Change the atom at index 17 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Mn3Co2O10
_chemical_formula_sum "Li5 Mn3 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_grou... | data_image0
_chemical_formula_structural Li5Mn3Co2O7HsO2
_chemical_formula_sum "Li5 Mn3 Co2 O9 Hs1"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_spac... |
ChangeAtomAction | 82f3fd79-21fa-4faa-8ff4-80ae94e2b70e | mp-19414 | Change the atom at index 7 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K6Cr2O8
_chemical_formula_sum "K6 Cr2 O8"
_cell_length_a 6.14423983
_cell_length_b 8.50865562
_cell_length_c 6.14424008
_cell_angle_alpha 89.99999225
_cell_angle_beta 89.99999519
_cell_angle_gamma 89.99998945
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K6CrMgO8
_chemical_formula_sum "K6 Cr1 Mg1 O8"
_cell_length_a 6.14423983
_cell_length_b 8.50865562
_cell_length_c 6.14424008
_cell_angle_alpha 89.99999225
_cell_angle_beta 89.99999519
_cell_angle_gamma 89.99998945
_space_group_name... |
ChangeAtomAction | 4041d688-dd46-40f3-9b92-332a1db71483 | mp-760060 | Change the atom at index 44 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb8S16O64
_chemical_formula_sum "Sb8 S16 O64"
_cell_length_a 9.379545
_cell_length_b 9.548574
_cell_length_c 14.133053
_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 Sb8S16O20AuO43
_chemical_formula_sum "Sb8 S16 O63 Au1"
_cell_length_a 9.379545
_cell_length_b 9.548574
_cell_length_c 14.133053
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 06645157-12db-447b-b7a1-6fc710677417 | mp-760233 | Change the atom at index 19 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2CrNi3P6O24
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837645
_... | data_image0
_chemical_formula_structural Mn2CrNi3P6O7DbO16
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O23 Db1"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.58... |
ChangeAtomAction | b2e950fa-eff6-455c-953a-4161c7df7ba3 | mp-2240560 | Change the atom at index 3 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCoMgO6
_chemical_formula_sum "Mg2 Ti1 Co1 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.4464540... |
ChangeAtomAction | d655544c-11c1-48b4-b5cd-dcacd6b05e79 | mp-818536 | Change the atom at index 2 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce2Cr4O20
_chemical_formula_sum "Ce2 Cr4 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ce2TlCr3O20
_chemical_formula_sum "Ce2 Tl1 Cr3 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | b3078a9b-c34b-42b1-a4fa-8a0b15f437a3 | mp-1212516 | Change the atom at index 51 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... | data_image0
_chemical_formula_structural H24C4S4N12O7BaO4
_chemical_formula_sum "H24 C4 S4 N12 O11 Ba1"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_gr... |
ChangeAtomAction | 5157e3ad-5d85-44cd-a407-27278987bf84 | mp-768410 | Change the atom at index 22 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Mn2B8O18
_chemical_formula_sum "Li6 Mn2 B8 O18"
_cell_length_a 8.745581
_cell_length_b 5.817883
_cell_length_c 6.697982640000001
_cell_angle_alpha 77.50653433
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li6Mn2B8O6TlO11
_chemical_formula_sum "Li6 Mn2 B8 O17 Tl1"
_cell_length_a 8.745581
_cell_length_b 5.817883
_cell_length_c 6.697982640000001
_cell_angle_alpha 77.50653433
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | 112a616e-efaa-4f9f-a756-b0b31885cb60 | mp-861170 | Change the atom at index 19 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.16601
_cell_length_b 5.59102518
_cell_length_c 15.065638179999999
_cell_angle_alpha 84.34933135000001
_cell_angle_beta 89.81013104
_cell_angle_gamma 89.91484064
_spac... | data_image0
_chemical_formula_structural Ti5Fe11O3NO20
_chemical_formula_sum "Ti5 Fe11 O23 N1"
_cell_length_a 5.16601
_cell_length_b 5.59102518
_cell_length_c 15.065638179999999
_cell_angle_alpha 84.34933135000001
_cell_angle_beta 89.81013104
_cell_angle_gamma 89.91484064
... |
ChangeAtomAction | 494214b5-ab63-4c92-b834-fb8cfa4e61ba | mp-1359845 | Change the atom at index 35 into Tc 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 Ca2Cu4P8O21TcO6
_chemical_formula_sum "Ca2 Cu4 P8 O27 Tc1"
_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... |
ChangeAtomAction | 6db23406-89af-4027-9263-d8d09530a89e | mp-1173784 | Change the atom at index 23 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na9Mg9AlSi10O35
_chemical_formula_sum "Na9 Mg9 Al1 Si10 O35"
_cell_length_a 25.12591308
_cell_length_b 8.70348242
_cell_length_c 6.49278501
_cell_angle_alpha 90.00000080000001
_cell_angle_beta 90.00306439
_cell_angle_gamma 30.004440... | data_image0
_chemical_formula_structural Na9Mg9AlSi4LrSi5O35
_chemical_formula_sum "Na9 Mg9 Al1 Si9 Lr1 O35"
_cell_length_a 25.12591308
_cell_length_b 8.70348242
_cell_length_c 6.49278501
_cell_angle_alpha 90.00000080000001
_cell_angle_beta 90.00306439
_cell_angle_gamma 30... |
ChangeAtomAction | 89c5680c-048d-497b-9769-3b35da8d0faa | mp-1097054 | Change the atom at index 35 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Ce8Fe4O24
_chemical_formula_sum "K4 Ce8 Fe4 O24"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_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 K4Ce8Fe4O19SmO4
_chemical_formula_sum "K4 Ce8 Fe4 O23 Sm1"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | e1ddaf55-d256-4c85-aa82-63cffdd59df5 | mp-1227649 | Change the atom at index 19 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Se8O22
_chemical_formula_sum "Ca4 Se8 O22"
_cell_length_a 8.33764981
_cell_length_b 8.33764981
_cell_length_c 12.175655180000001
_cell_angle_alpha 65.11946191
_cell_angle_beta 65.11946191
_cell_angle_gamma 50.96985560000001
_spa... | data_image0
_chemical_formula_structural Ca4Se8O7TlO14
_chemical_formula_sum "Ca4 Se8 O21 Tl1"
_cell_length_a 8.33764981
_cell_length_b 8.33764981
_cell_length_c 12.175655180000001
_cell_angle_alpha 65.11946191
_cell_angle_beta 65.11946191
_cell_angle_gamma 50.969855600000... |
ChangeAtomAction | 5772abe0-1980-41ab-a852-a3dc94318354 | mp-767412 | Change the atom at index 9 into La in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... | data_image0
_chemical_formula_structural Li3Co4S2LaS5
_chemical_formula_sum "Li3 Co4 S7 La1"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_spac... |
ChangeAtomAction | d2c875b7-9a75-4686-b048-0d60dc44f8ca | mp-1193190 | Change the atom at index 23 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O13FlO4
_chemical_formula_sum "K4 Cr6 O17 Fl1"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | 1a5a671d-6d5b-46a9-a7e4-e26267b50926 | mp-1246736 | Change the atom at index 1 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6V2N6
_chemical_formula_sum "Mn6 V2 N6"
_cell_length_a 6.87298802
_cell_length_b 6.82548822
_cell_length_c 3.902309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.80338612999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural MnEsMn4V2N6
_chemical_formula_sum "Mn5 Es1 V2 N6"
_cell_length_a 6.87298802
_cell_length_b 6.82548822
_cell_length_c 3.902309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.80338612999999
_space_group_name_H-M_a... |
ChangeAtomAction | 82d7280c-f661-4a7c-8027-3f983f2f90e6 | mp-1246871 | Change the atom at index 7 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy2Mg2Mn2S8
_chemical_formula_sum "Dy2 Mg2 Mn2 S8"
_cell_length_a 7.74106626
_cell_length_b 7.55652854
_cell_length_c 7.55628571
_cell_angle_alpha 60.18353225
_cell_angle_beta 59.17145785
_cell_angle_gamma 59.20400401999999
_space_... | data_image0
_chemical_formula_structural Dy2Mg2Mn2SSgS6
_chemical_formula_sum "Dy2 Mg2 Mn2 S7 Sg1"
_cell_length_a 7.74106626
_cell_length_b 7.55652854
_cell_length_c 7.55628571
_cell_angle_alpha 60.18353225
_cell_angle_beta 59.17145785
_cell_angle_gamma 59.20400401999999
... |
ChangeAtomAction | 049f3ddb-9872-4b0e-8fa8-0c3c0d8a8758 | mp-1213897 | Change the atom at index 10 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4W4O8
_chemical_formula_sum "Ca4 W4 O8"
_cell_length_a 7.39204584
_cell_length_b 7.39204584
_cell_length_c 7.39204584
_cell_angle_alpha 129.86715672
_cell_angle_beta 129.86715672
_cell_angle_gamma 73.61922588
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca4W4O2CnO5
_chemical_formula_sum "Ca4 W4 O7 Cn1"
_cell_length_a 7.39204584
_cell_length_b 7.39204584
_cell_length_c 7.39204584
_cell_angle_alpha 129.86715672
_cell_angle_beta 129.86715672
_cell_angle_gamma 73.61922588
_space_group... |
ChangeAtomAction | b83a23c8-866a-4034-ba20-031e84cd4a4a | mp-1208000 | Change the atom at index 16 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm2CuGe4O12
_chemical_formula_sum "Tm2 Cu1 Ge4 O12"
_cell_length_a 4.983862
_cell_length_b 7.19407863
_cell_length_c 7.9632799
_cell_angle_alpha 113.99763921
_cell_angle_beta 87.05121009
_cell_angle_gamma 102.37933051
_space_group_... | data_image0
_chemical_formula_structural Tm2CuGe4O9ReO2
_chemical_formula_sum "Tm2 Cu1 Ge4 O11 Re1"
_cell_length_a 4.983862
_cell_length_b 7.19407863
_cell_length_c 7.9632799
_cell_angle_alpha 113.99763921
_cell_angle_beta 87.05121009
_cell_angle_gamma 102.37933051
_space... |
ChangeAtomAction | 3167047f-b725-45ec-9443-7439653cd789 | mp-651997 | Change the atom at index 0 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe12Ge8O32
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural ZnFe11Ge8O32
_chemical_formula_sum "Zn1 Fe11 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
ChangeAtomAction | b9aed14d-72ce-4e52-bfce-80f3fc500e2f | mp-861612 | 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 Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O3TlO12
_chemical_formula_sum "Cr2 Fe2 P4 O15 Tl1"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 1ab007db-346f-4f4e-aedb-12f103af3850 | mp-771136 | Change the atom at index 9 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... | data_image0
_chemical_formula_structural Ho4Se5OsO24
_chemical_formula_sum "Ho4 Se5 Os1 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space... |
ChangeAtomAction | f59c88d2-da98-4aea-9947-a69b59624a78 | mp-1650920 | Change the atom at index 14 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrLa4Cr5O15
_chemical_formula_sum "Sr1 La4 Cr5 O15"
_cell_length_a 5.55545134
_cell_length_b 6.786953540000001
_cell_length_c 8.73338731
_cell_angle_alpha 104.83756037999999
_cell_angle_beta 108.43716370999998
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural SrLa4Cr5O4TcO10
_chemical_formula_sum "Sr1 La4 Cr5 O14 Tc1"
_cell_length_a 5.55545134
_cell_length_b 6.786953540000001
_cell_length_c 8.73338731
_cell_angle_alpha 104.83756037999999
_cell_angle_beta 108.43716370999998
_cell_angle_gamma... |
ChangeAtomAction | be4ce983-0af4-42db-9d41-ca02f0f1105a | mp-754097 | Change the atom at index 19 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... | data_image0
_chemical_formula_structural Li8Fe4B4O3SgO12
_chemical_formula_sum "Li8 Fe4 B4 O15 Sg1"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
... |
ChangeAtomAction | 761d4530-02c8-478b-ad8d-5d000699593d | mp-760314 | Change the atom at index 5 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V5IrO5F19
_chemical_formula_sum "V5 Ir1 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_spa... |
ChangeAtomAction | b53e09f0-dee3-420d-98a2-e8067197a5ab | mp-569364 | Change the atom at index 34 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be44Re2
_chemical_formula_sum "Be44 Re2"
_cell_length_a 8.13274172
_cell_length_b 8.13274113
_cell_length_c 8.132742219999999
_cell_angle_alpha 60.00074062000001
_cell_angle_beta 60.00073954
_cell_angle_gamma 60.000751649999984
_sp... | data_image0
_chemical_formula_structural Be34NoBe9Re2
_chemical_formula_sum "Be43 No1 Re2"
_cell_length_a 8.13274172
_cell_length_b 8.13274113
_cell_length_c 8.132742219999999
_cell_angle_alpha 60.00074062000001
_cell_angle_beta 60.00073954
_cell_angle_gamma 60.00075164999... |
ChangeAtomAction | 600fba90-41e2-4d21-aece-d34fe593fd40 | mp-1045008 | 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 Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 Ba2RuW3O7
_chemical_formula_sum "Ba2 Ru1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
ChangeAtomAction | e029228f-bf89-4658-b027-19a6e40bb129 | mp-1239200 | Change the atom at index 47 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Na8Cr16S23OsS8
_chemical_formula_sum "Na8 Cr16 S31 Os1"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 3502f551-9455-44d7-b7ec-c417804bc27b | mp-1209619 | Change the atom at index 7 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF3EsF2
_chemical_formula_sum "Rb3 Bi1 F5 Es1"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_spac... |
ChangeAtomAction | 0586e38a-601d-4ee3-8ad0-5a275ad195be | mp-1643264 | Change the atom at index 8 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co10Sn2O24
_chemical_formula_sum "Li8 Co10 Sn2 O24"
_cell_length_a 5.07252516
_cell_length_b 5.03807126
_cell_length_c 19.82383601
_cell_angle_alpha 91.98006383
_cell_angle_beta 85.19405963000001
_cell_angle_gamma 120.10979549999... | data_image0
_chemical_formula_structural Li8HeCo9Sn2O24
_chemical_formula_sum "Li8 He1 Co9 Sn2 O24"
_cell_length_a 5.07252516
_cell_length_b 5.03807126
_cell_length_c 19.82383601
_cell_angle_alpha 91.98006383
_cell_angle_beta 85.19405963000001
_cell_angle_gamma 120.1097954... |
ChangeAtomAction | 28c9cb79-b8f0-491d-ac3f-e474807eecff | mp-3824 | 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 Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta3DyTa5Ni2S6
_chemical_formula_sum "Ta8 Dy1 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_al... |
ChangeAtomAction | 72c767cb-5988-4475-85d0-51d1c64f0295 | mp-1305999 | Change the atom at index 11 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi4O3LrO4
_chemical_formula_sum "Li3 Ti1 Ni4 O7 Lr1"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.454927339... |
ChangeAtomAction | c2a3bb0a-2453-4901-a29f-fef0935d9858 | mp-673347 | Change the atom at index 13 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4H4O5EsO6
_chemical_formula_sum "Nb4 H4 O11 Es1"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_... |
ChangeAtomAction | d7d765c6-497a-4094-b4e1-9e0056fe91d3 | mp-1246950 | Change the atom at index 7 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnC6ZrCN6
_chemical_formula_sum "Mn1 C7 Zr1 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.1603673... |
ChangeAtomAction | c1148659-c091-452d-be88-aa6869429823 | mp-2223637 | Change the atom at index 9 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... | data_image0
_chemical_formula_structural MgFeCo2O5Ar
_chemical_formula_sum "Mg1 Fe1 Co2 O5 Ar1"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_gr... |
ChangeAtomAction | 0d397abf-7286-4670-8b87-b21e166640af | mp-27442 | Change the atom at index 1 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Cr4I12
_chemical_formula_sum "Rb4 Cr4 I12"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_space_grou... | data_image0
_chemical_formula_structural RbTaRb2Cr4I12
_chemical_formula_sum "Rb3 Ta1 Cr4 I12"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_sp... |
ChangeAtomAction | e47b668d-a19c-4067-ae32-fdfa23ae3376 | mp-1202130 | Change the atom at index 20 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4U4Se8O32
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K4U4Se8O4XeO27
_chemical_formula_sum "K4 U4 Se8 O31 Xe1"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | 178ca0df-b95c-4200-a2ba-60aed63f118a | mp-1200198 | Change the atom at index 51 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd8Cu8P8S4O68
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_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 Cd8Cu8P8S4O23CeO44
_chemical_formula_sum "Cd8 Cu8 P8 S4 O67 Ce1"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | e27c2d7d-9bf7-461f-a1fd-2972acbd9f15 | mp-1101922 | Change the atom at index 4 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Eu4MoFe7
_chemical_formula_sum "Eu4 Mo1 Fe7"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | f559794a-b765-4494-adac-d4b23b434219 | mp-1232290 | Change the atom at index 6 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu3SbF12
_chemical_formula_sum "Cu3 Sb1 F12"
_cell_length_a 6.70660229
_cell_length_b 6.70660189
_cell_length_c 6.70660296
_cell_angle_alpha 109.47121481
_cell_angle_beta 109.4712136
_cell_angle_gamma 109.47122883
_space_group_name... | data_image0
_chemical_formula_structural Cu3SbF2ThF9
_chemical_formula_sum "Cu3 Sb1 F11 Th1"
_cell_length_a 6.70660229
_cell_length_b 6.70660189
_cell_length_c 6.70660296
_cell_angle_alpha 109.47121481
_cell_angle_beta 109.4712136
_cell_angle_gamma 109.47122883
_space_gro... |
ChangeAtomAction | 8b92eca8-4efa-4eb1-8092-c8ba69b5fb05 | mp-753615 | Change the atom at index 3 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li4Mn2O4F4
_chemical_formula_sum "Li4 Mn2 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... |
ChangeAtomAction | bb31782c-ad0e-4e05-a47b-3cd35b76bfc2 | mp-1275970 | Change the atom at index 5 into Pa in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaLaMn2O6
_chemical_formula_sum "Ba1 La1 Mn2 O6"
_cell_length_a 5.67028296
_cell_length_b 5.567038570000001
_cell_length_c 5.56019767
_cell_angle_alpha 118.69775107999999
_cell_angle_beta 120.57657265
_cell_angle_gamma 59.30470872
... | data_image0
_chemical_formula_structural BaLaMn2OPaO4
_chemical_formula_sum "Ba1 La1 Mn2 O5 Pa1"
_cell_length_a 5.67028296
_cell_length_b 5.567038570000001
_cell_length_c 5.56019767
_cell_angle_alpha 118.69775107999999
_cell_angle_beta 120.57657265
_cell_angle_gamma 59.304... |
ChangeAtomAction | 9f308e55-da67-4979-89e3-f719e042df19 | mp-1102140 | Change the atom at index 6 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 Nd4Si2FeSiIr4
_chemical_formula_sum "Nd4 Si3 Fe1 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 6432386c-bd28-443b-b905-83d8adb98178 | mp-17426 | Change the atom at index 19 into Ra in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er8W4O24
_chemical_formula_sum "Er8 W4 O24"
_cell_length_a 5.16899321
_cell_length_b 8.98292463
_cell_length_c 9.80930968
_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 Er8W4O7RaO16
_chemical_formula_sum "Er8 W4 O23 Ra1"
_cell_length_a 5.16899321
_cell_length_b 8.98292463
_cell_length_c 9.80930968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | d6a1064a-0d31-47a9-bca9-ff8e51a0e04b | mp-557730 | Change the atom at index 8 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... | data_image0
_chemical_formula_structural Dy2P6XeO17
_chemical_formula_sum "Dy2 P6 Xe1 O17"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_... |
ChangeAtomAction | cbdd3027-c363-4d83-b80b-de880cedb679 | mp-1400415 | Change the atom at index 3 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Ti3O8
_chemical_formula_sum "Ba2 Ti3 O8"
_cell_length_a 3.948523
_cell_length_b 3.948523
_cell_length_c 11.944754
_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 Ba2TiCTiO8
_chemical_formula_sum "Ba2 Ti2 C1 O8"
_cell_length_a 3.948523
_cell_length_b 3.948523
_cell_length_c 11.944754
_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 | 6902207e-d7a9-4e00-acbf-50abf28d852f | mp-1196630 | Change the atom at index 5 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu3TiCu12Sb6S26N12
_chemical_formula_sum "Fe2 Cu15 Ti1 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angl... |
ChangeAtomAction | e4e6b36e-339d-4d0f-a82b-1a33480c2ced | mp-541221 | Change the atom at index 5 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba5LiH12N12O30
_chemical_formula_sum "Ba5 Li1 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_... |
ChangeAtomAction | 97efba0f-210b-4e24-8df5-cc37e731915c | mp-1103318 | Change the atom at index 7 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MoW11
_chemical_formula_sum "Mo1 W11"
_cell_length_a 2.596238
_cell_length_b 5.319293
_cell_length_c 18.356209
_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 MoW6CsW4
_chemical_formula_sum "Mo1 W10 Cs1"
_cell_length_a 2.596238
_cell_length_b 5.319293
_cell_length_c 18.356209
_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 | f00f61a6-0785-4b6b-8162-59b8a52574c1 | mp-770938 | Change the atom at index 17 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6V2P2C2O14
_chemical_formula_sum "Li6 V2 P2 C2 O14"
_cell_length_a 5.20433187
_cell_length_b 6.702942999999999
_cell_length_c 8.34931113
_cell_angle_alpha 90.00264614
_cell_angle_beta 87.60110657000001
_cell_angle_gamma 89.9981124... | data_image0
_chemical_formula_structural Li6V2P2C2O5SeO8
_chemical_formula_sum "Li6 V2 P2 C2 O13 Se1"
_cell_length_a 5.20433187
_cell_length_b 6.702942999999999
_cell_length_c 8.34931113
_cell_angle_alpha 90.00264614
_cell_angle_beta 87.60110657000001
_cell_angle_gamma 89.... |
ChangeAtomAction | 57e81f80-f28f-451a-ad5a-829d444d784d | mp-1043245 | Change the atom at index 10 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co2Ge4O12
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_spa... | data_image0
_chemical_formula_structural Co2Ge4O4InO7
_chemical_formula_sum "Co2 Ge4 O11 In1"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.3724036... |
ChangeAtomAction | a70c85c1-b728-4a20-b77a-8af6c5c0d3ac | mp-705680 | 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 La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural La4Mo4O3RnO14
_chemical_formula_sum "La4 Mo4 O17 Rn1"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.763029889... |
ChangeAtomAction | fbb28caf-2639-4ea4-b9d3-d7031c300f66 | mp-1233377 | Change the atom at index 14 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd6MgIn2O12
_chemical_formula_sum "Gd6 Mg1 In2 O12"
_cell_length_a 6.99250114
_cell_length_b 6.959334629999999
_cell_length_c 6.83801893
_cell_angle_alpha 94.14595942
_cell_angle_beta 91.72693156000001
_cell_angle_gamma 91.75106101
... | data_image0
_chemical_formula_structural Gd6MgIn2O5McO6
_chemical_formula_sum "Gd6 Mg1 In2 O11 Mc1"
_cell_length_a 6.99250114
_cell_length_b 6.959334629999999
_cell_length_c 6.83801893
_cell_angle_alpha 94.14595942
_cell_angle_beta 91.72693156000001
_cell_angle_gamma 91.75... |
ChangeAtomAction | 91d76ace-7704-470a-bc92-dd9b19b0eb9c | mp-1221029 | Change the atom at index 4 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaPr9Ge6O26
_chemical_formula_sum "Na1 Pr9 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural NaPr3NoPr5Ge6O26
_chemical_formula_sum "Na1 Pr8 No1 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group... |
ChangeAtomAction | 38bf71cb-289e-41ee-bdd4-123aa04aa509 | mp-1220828 | Change the atom at index 49 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O21CaO26F8
_chemical_formula_sum "Nb16 Pb12 O47 Ca1 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_g... |
ChangeAtomAction | 6b2ce991-108e-4155-bcd6-26960b1595f1 | mp-988945 | Change the atom at index 4 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al8As8
_chemical_formula_sum "Al8 As8"
_cell_length_a 7.02253
_cell_length_b 7.02253
_cell_length_c 7.02253
_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_numb... | data_image0
_chemical_formula_structural Al4LrAl3As8
_chemical_formula_sum "Al7 Lr1 As8"
_cell_length_a 7.02253
_cell_length_b 7.02253
_cell_length_c 7.02253
_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 | dffedb41-ee70-48b5-95b8-0a74e3da4d3f | mp-559820 | Change the atom at index 11 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4S4Cl4O16
_chemical_formula_sum "La4 S4 Cl4 O16"
_cell_length_a 8.227041
_cell_length_b 6.824929
_cell_length_c 8.73515244
_cell_angle_alpha 66.15988172
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural La4S4Cl3UO16
_chemical_formula_sum "La4 S4 Cl3 U1 O16"
_cell_length_a 8.227041
_cell_length_b 6.824929
_cell_length_c 8.73515244
_cell_angle_alpha 66.15988172
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 72d60713-5e02-4c5f-99c7-2d825ca6596e | mp-1235973 | Change the atom at index 7 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag2BkAgO12
_chemical_formula_sum "Li1 Y4 Ag3 Bk1 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_na... |
ChangeAtomAction | 62c64c94-38d3-40d0-be3e-71228fa46895 | mp-1211929 | Change the atom at index 7 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_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 K7NTe4Mo8P8O56
_chemical_formula_sum "K7 N1 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | 5c717a88-9405-4b07-af98-020a4d0d4d3d | mp-775903 | Change the atom at index 27 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P8O7RfO20
_chemical_formula_sum "Li8 Mn4 P8 O27 Rf1"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604... |
ChangeAtomAction | b6bb9fa3-4d59-4619-9ddc-2f4cac050548 | mp-1175049 | Change the atom at index 13 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 2.961141
_cell_length_b 5.07618941
_cell_length_c 14.380623660000001
_cell_angle_alpha 88.2354465
_cell_angle_beta 86.62971702
_cell_angle_gamma 88.55672708999998
... | data_image0
_chemical_formula_structural Li7Mn2Co3OVO10
_chemical_formula_sum "Li7 Mn2 Co3 O11 V1"
_cell_length_a 2.961141
_cell_length_b 5.07618941
_cell_length_c 14.380623660000001
_cell_angle_alpha 88.2354465
_cell_angle_beta 86.62971702
_cell_angle_gamma 88.55672708999... |
ChangeAtomAction | 22d26943-200f-4a15-85d4-50b8c2f71774 | mp-1181826 | Change the atom at index 6 into Pd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CoCuP2O7
_chemical_formula_sum "Co1 Cu1 P2 O7"
_cell_length_a 4.59307298
_cell_length_b 5.36394199
_cell_length_c 5.39286453
_cell_angle_alpha 101.43439814
_cell_angle_beta 100.93720399
_cell_angle_gamma 100.89037008000001
_space_g... | data_image0
_chemical_formula_structural CoCuP2O2PdO4
_chemical_formula_sum "Co1 Cu1 P2 O6 Pd1"
_cell_length_a 4.59307298
_cell_length_b 5.36394199
_cell_length_c 5.39286453
_cell_angle_alpha 101.43439814
_cell_angle_beta 100.93720399
_cell_angle_gamma 100.89037008000001
... |
ChangeAtomAction | 25dcf751-3b71-49b3-8692-e8c89dd77bfb | mp-680301 | Change the atom at index 43 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O11NO20
_chemical_formula_sum "K24 As8 O31 N1"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_... |
ChangeAtomAction | 6af51546-1ffc-4372-bf8e-a04e2bb43cb6 | mp-1250606 | Change the atom at index 1 into Tm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma 100... | data_image0
_chemical_formula_structural CaTmCa2Al2H20Cl2O16
_chemical_formula_sum "Ca3 Tm1 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamm... |
ChangeAtomAction | 981bec78-8ec8-4bb1-9131-04ee228ed8e6 | mp-2220594 | Change the atom at index 8 into La in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTl4V4Te4O20
_chemical_formula_sum "Mg1 Tl4 V4 Te4 O20"
_cell_length_a 7.06985946
_cell_length_b 8.249802490000002
_cell_length_c 9.27915161
_cell_angle_alpha 86.50146034
_cell_angle_beta 91.60447252999998
_cell_angle_gamma 89.8648... | data_image0
_chemical_formula_structural MgTl4V3LaTe4O20
_chemical_formula_sum "Mg1 Tl4 V3 La1 Te4 O20"
_cell_length_a 7.06985946
_cell_length_b 8.249802490000002
_cell_length_c 9.27915161
_cell_angle_alpha 86.50146034
_cell_angle_beta 91.60447252999998
_cell_angle_gamma 8... |
ChangeAtomAction | b298c834-2f03-43c4-bc1e-140d0001674b | mp-1197601 | Change the atom at index 12 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4MgFe8H6Se16O50
_chemical_formula_sum "Rb4 Mg1 Fe8 H6 Se16 O50"
_cell_length_a 7.852262
_cell_length_b 10.51530752
_cell_length_c 16.13059088
_cell_angle_alpha 77.45945308
_cell_angle_beta 88.6467985
_cell_angle_gamma 86.212906200... | data_image0
_chemical_formula_structural Rb4MgFe7AmH6Se16O50
_chemical_formula_sum "Rb4 Mg1 Fe7 Am1 H6 Se16 O50"
_cell_length_a 7.852262
_cell_length_b 10.51530752
_cell_length_c 16.13059088
_cell_angle_alpha 77.45945308
_cell_angle_beta 88.6467985
_cell_angle_gamma 86.212... |
ChangeAtomAction | ac257b74-1448-4c61-a56a-329f07fdf8e5 | mp-561165 | Change the atom at index 21 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6Bi12O30
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V6Bi12O3CaO26
_chemical_formula_sum "V6 Bi12 O29 Ca1"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_al... |
ChangeAtomAction | 08a9e97b-17b8-4bf9-9a39-f60c19c3d8de | mp-1203661 | Change the atom at index 14 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K5Rb10Cr5F30
_chemical_formula_sum "K5 Rb10 Cr5 F30"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.35469727
_sp... | data_image0
_chemical_formula_structural K5Rb9SCr5F30
_chemical_formula_sum "K5 Rb9 S1 Cr5 F30"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.35469727
_... |
ChangeAtomAction | 55047865-1b08-4e3d-8977-16ce2c592b9b | mp-1095470 | Change the atom at index 8 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu4Zn2Ge6
_chemical_formula_sum "Eu4 Zn2 Ge6"
_cell_length_a 4.24159271
_cell_length_b 4.24159271
_cell_length_c 17.86911257
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99697262000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Eu4Zn2Ge2BrGe3
_chemical_formula_sum "Eu4 Zn2 Ge5 Br1"
_cell_length_a 4.24159271
_cell_length_b 4.24159271
_cell_length_c 17.86911257
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99697262000001
_space_group_na... |
ChangeAtomAction | 7f353977-70f1-4c8b-b60b-2853c50b39bd | mp-1569720 | Change the atom at index 12 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si4Ni2O2FlO9
_chemical_formula_sum "Li4 Si4 Ni2 O11 Fl1"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.... |
ChangeAtomAction | 653beaf0-0691-4d6a-a6e2-a05a3125ac41 | mp-1227442 | Change the atom at index 0 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural NeBeBH3O5
_chemical_formula_sum "Ne1 Be1 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space... |
ChangeAtomAction | 417436bc-729f-4b92-9a4c-e49c2531e9ed | mp-1044415 | Change the atom at index 13 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Ni4Bi4O20
_chemical_formula_sum "Mg4 Ni4 Bi4 O20"
_cell_length_a 10.461882
_cell_length_b 5.361598
_cell_length_c 8.30520732
_cell_angle_alpha 70.34453873
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Ni4Bi4OHgO18
_chemical_formula_sum "Mg4 Ni4 Bi4 O19 Hg1"
_cell_length_a 10.461882
_cell_length_b 5.361598
_cell_length_c 8.30520732
_cell_angle_alpha 70.34453873
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | 6c091603-7ee9-4d6b-915a-0bf1f308057d | mp-779083 | Change the atom at index 5 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... | data_image0
_chemical_formula_structural Li2V3CO8
_chemical_formula_sum "Li2 V3 C1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_name_... |
ChangeAtomAction | c931ec0c-17d6-4a63-9d7f-aa3139fccd82 | mp-600078 | Change the atom at index 45 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O27CdO8
_chemical_formula_sum "Si18 O35 Cd1"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.09196333999999... |
ChangeAtomAction | cf7f62b4-1ad2-40df-b4ba-d491fb912e89 | mp-1225820 | Change the atom at index 8 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er3Ga8Ni3
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_grou... | data_image0
_chemical_formula_structural Er3Ga5PrGa2Ni3
_chemical_formula_sum "Er3 Ga7 Pr1 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_s... |
ChangeAtomAction | cfc472f9-025c-4875-a2f9-198576fef6c5 | mp-1215852 | Change the atom at index 6 into Dy in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural YbEuSi4Au4
_chemical_formula_sum "Yb1 Eu1 Si4 Au4"
_cell_length_a 4.31256801
_cell_length_b 4.31256801
_cell_length_c 10.02948755
_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 YbEuSi4DyAu3
_chemical_formula_sum "Yb1 Eu1 Si4 Dy1 Au3"
_cell_length_a 4.31256801
_cell_length_b 4.31256801
_cell_length_c 10.02948755
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | b9dd304d-5133-42dc-8dc9-51be21efec74 | mp-1290584 | Change the atom at index 14 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V6Sn2O16
_chemical_formula_sum "Li4 V6 Sn2 O16"
_cell_length_a 6.05952536
_cell_length_b 6.01027081
_cell_length_c 10.79416155
_cell_angle_alpha 74.08540665
_cell_angle_beta 90.27515091
_cell_angle_gamma 120.32441300999999
_spac... | data_image0
_chemical_formula_structural Li4V6Sn2O2RnO13
_chemical_formula_sum "Li4 V6 Sn2 O15 Rn1"
_cell_length_a 6.05952536
_cell_length_b 6.01027081
_cell_length_c 10.79416155
_cell_angle_alpha 74.08540665
_cell_angle_beta 90.27515091
_cell_angle_gamma 120.3244130099999... |
ChangeAtomAction | c1fd06c5-fb5b-4db6-8217-3fb6d632dc8c | mp-1044904 | Change the atom at index 21 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... | data_image0
_chemical_formula_structural Y4Si2Sb2W13YbO27
_chemical_formula_sum "Y4 Si2 Sb2 W13 Yb1 O27"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.... |
ChangeAtomAction | c02c70de-704a-47af-8548-bf3b7418a0a7 | mp-1196873 | Change the atom at index 27 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er6Co8Ge26
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 Er6Co8Ge13CsGe12
_chemical_formula_sum "Er6 Co8 Ge25 Cs1"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | f2bfc54d-385e-41e0-8a46-5bde0cc9c8af | mp-2231769 | Change the atom at index 3 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn2Se4O12
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_space_... | data_image0
_chemical_formula_structural MgMn2SSe3O12
_chemical_formula_sum "Mg1 Mn2 S1 Se3 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_sp... |
ChangeAtomAction | af7e8a42-2905-4c43-baa0-97e9fbea5d58 | mp-1209619 | Change the atom at index 2 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb2SiBiF6
_chemical_formula_sum "Rb2 Si1 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_... |
ChangeAtomAction | 710714a0-99a3-4859-b823-6fd39053c811 | mp-780652 | Change the atom at index 66 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8V6P16O36NO21
_chemical_formula_sum "Li8 V6 P16 O57 N1"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.858... |
ChangeAtomAction | 79b812f7-a60b-436e-8042-7405bb1db2c5 | mp-17986 | Change the atom at index 16 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Tl8O12
_chemical_formula_sum "Ti4 Tl8 O12"
_cell_length_a 3.82186766
_cell_length_b 9.74164138
_cell_length_c 12.57036186
_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 Ti4Tl8O4MtO7
_chemical_formula_sum "Ti4 Tl8 O11 Mt1"
_cell_length_a 3.82186766
_cell_length_b 9.74164138
_cell_length_c 12.57036186
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 89d1bc2e-77f0-4404-98a6-7c8134830120 | mp-759739 | Change the atom at index 13 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6O3F4ReF10
_chemical_formula_sum "V6 O3 F14 Re1"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "... |
ChangeAtomAction | 3f5da887-d657-4475-86b5-b237e08069b2 | mp-1198663 | Change the atom at index 32 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 K8Li4H20TaH3N12
_chemical_formula_sum "K8 Li4 H23 Ta1 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 12f84f58-b511-4c85-b571-13eb8f3e5167 | mp-985591 | 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 Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural Li6PS5As
_chemical_formula_sum "Li6 P1 S5 As1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... |
ChangeAtomAction | 7e3d1295-e8c0-4013-9d8b-579b07c6c2de | mp-753615 | 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 Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn2NdO4F4
_chemical_formula_sum "Li3 Mn2 Nd1 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_g... |
ChangeAtomAction | 511432ed-979f-43c5-acb9-3934ed1360e5 | mp-3887 | Change the atom at index 35 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N3RuN12
_chemical_formula_sum "Li24 Ga8 N15 Ru1"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.4703853300... |
ChangeAtomAction | 9448077b-35fb-4b84-b6ae-a6da62772d0c | mp-17235 | Change the atom at index 3 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm8Si8O28
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_name_H... | data_image0
_chemical_formula_structural Sm3NbSm4Si8O28
_chemical_formula_sum "Sm7 Nb1 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_gro... |
ChangeAtomAction | d9a95f39-5b4b-4474-a8fc-571c2014ee4e | mp-1213955 | Change the atom at index 13 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 Cd4N4O5PuO14
_chemical_formula_sum "Cd4 N4 O19 Pu1"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 | 5c42ee64-4c21-4fb6-b85d-80bc532f10cd | mp-1201551 | Change the atom at index 56 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2Sb8H36S14N12
_chemical_formula_sum "Zn2 Sb8 H36 S14 N12"
_cell_length_a 7.313892
_cell_length_b 12.110583669999999
_cell_length_c 13.059800959999999
_cell_angle_alpha 103.33840632000002
_cell_angle_beta 90.13459461
_cell_angle_gamma... | data_image0
_chemical_formula_structural Zn2Sb8H36S10DbS3N12
_chemical_formula_sum "Zn2 Sb8 H36 S13 Db1 N12"
_cell_length_a 7.313892
_cell_length_b 12.110583669999999
_cell_length_c 13.059800959999999
_cell_angle_alpha 103.33840632000002
_cell_angle_beta 90.13459461
_cell_ang... |
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