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 | 6ffdf750-54f3-4e64-a7e8-194ab0b1107f | mp-1233843 | Change the atom at index 18 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... | data_image0
_chemical_formula_structural MgCo6O2F9Th
_chemical_formula_sum "Mg1 Co6 O2 F9 Th1"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_sp... |
ChangeAtomAction | 037f2d0c-39fd-46bf-b350-33a8153b3e62 | mp-1246916 | Change the atom at index 1 into Ac in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Ni10N8
_chemical_formula_sum "Mg2 Ni10 N8"
_cell_length_a 7.759587
_cell_length_b 6.009984
_cell_length_c 4.348536
_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 MgAcNi10N8
_chemical_formula_sum "Mg1 Ac1 Ni10 N8"
_cell_length_a 7.759587
_cell_length_b 6.009984
_cell_length_c 4.348536
_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 | 77b232d7-e0c3-43ea-8b49-df574fe439d1 | mp-1043721 | Change the atom at index 13 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Sn4Bi4ORnO18
_chemical_formula_sum "Mg4 Sn4 Bi4 O19 Rn1"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 7489677d-7185-45d2-b99c-7482305aed73 | mp-1026795 | Change the atom at index 11 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiMg10CuMg3W
_chemical_formula_sum "Li1 Mg13 Cu1 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name... |
ChangeAtomAction | 18e43c4a-60c9-4672-966a-13694d9a05a0 | mp-763051 | Change the atom at index 6 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 5.13099459
_cell_length_b 5.93920482
_cell_length_c 7.86264398
_cell_angle_alpha 100.88303528999998
_cell_angle_beta 70.52889016
_cell_angle_gamma 90.00075203
_space_gro... | data_image0
_chemical_formula_structural Li6HsLiV4O8F4
_chemical_formula_sum "Li7 Hs1 V4 O8 F4"
_cell_length_a 5.13099459
_cell_length_b 5.93920482
_cell_length_c 7.86264398
_cell_angle_alpha 100.88303528999998
_cell_angle_beta 70.52889016
_cell_angle_gamma 90.00075203
_s... |
ChangeAtomAction | cbf983df-8b66-48d3-9397-5e32bb97aa1f | mp-1227489 | Change the atom at index 2 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Al24O38
_chemical_formula_sum "Ca2 Al24 O38"
_cell_length_a 5.61109181
_cell_length_b 5.61109181
_cell_length_c 22.067731
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ca2AmAl23O38
_chemical_formula_sum "Ca2 Am1 Al23 O38"
_cell_length_a 5.61109181
_cell_length_b 5.61109181
_cell_length_c 22.067731
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779999999
_space_group_name_... |
ChangeAtomAction | 92c3d528-4a5f-41d9-bfe0-aa217bd9feb2 | mp-759328 | Change the atom at index 23 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ti4V6O20
_chemical_formula_sum "Li4 Ti4 V6 O20"
_cell_length_a 5.14849813
_cell_length_b 7.73748258
_cell_length_c 10.46219472
_cell_angle_alpha 104.39594751
_cell_angle_beta 103.46170253
_cell_angle_gamma 78.20151557
_space_gro... | data_image0
_chemical_formula_structural Li4Ti4V6O9AlO10
_chemical_formula_sum "Li4 Ti4 V6 O19 Al1"
_cell_length_a 5.14849813
_cell_length_b 7.73748258
_cell_length_c 10.46219472
_cell_angle_alpha 104.39594751
_cell_angle_beta 103.46170253
_cell_angle_gamma 78.20151557
_s... |
ChangeAtomAction | 767d7f96-e292-4404-833a-6b768591e415 | mp-1217947 | Change the atom at index 31 into Nh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag8O15NhO8
_chemical_formula_sum "Ta4 Nb4 Ag8 O23 Nh1"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 9a4090a3-9441-4978-b5c2-4dc591588a09 | mp-17728 | Change the atom at index 11 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... | data_image0
_chemical_formula_structural Ta11RfGe4
_chemical_formula_sum "Ta11 Rf1 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group... |
ChangeAtomAction | 8de99c81-7bec-4cde-9d91-09d13a0fb12f | mp-1191384 | Change the atom at index 3 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4B8H12
_chemical_formula_sum "Ca4 B8 H12"
_cell_length_a 3.639707
_cell_length_b 3.54837387
_cell_length_c 16.44897779
_cell_angle_alpha 90.92026841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca3McB8H12
_chemical_formula_sum "Ca3 Mc1 B8 H12"
_cell_length_a 3.639707
_cell_length_b 3.54837387
_cell_length_c 16.44897779
_cell_angle_alpha 90.92026841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | d0cc6c70-93f5-4d67-8f87-51746882c743 | mp-1213000 | Change the atom at index 6 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2Ag2W4O16
_chemical_formula_sum "Eu2 Ag2 W4 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_... | data_image0
_chemical_formula_structural Eu2Ag2W2UWO16
_chemical_formula_sum "Eu2 Ag2 W3 U1 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_s... |
ChangeAtomAction | 1f344008-1ed2-476d-b6e2-11cf997dcb4c | mp-989551 | Change the atom at index 5 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiTl2InF6
_chemical_formula_sum "Li1 Tl2 In1 F6"
_cell_length_a 6.05849797
_cell_length_b 6.05849797
_cell_length_c 6.05849797
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural LiTl2InFPF4
_chemical_formula_sum "Li1 Tl2 In1 F5 P1"
_cell_length_a 6.05849797
_cell_length_b 6.05849797
_cell_length_c 6.05849797
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
ChangeAtomAction | 844402fa-01d5-43f1-890d-030ac73d3940 | mp-779858 | Change the atom at index 16 into Pa in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm12Nb4O28
_chemical_formula_sum "Sm12 Nb4 O28"
_cell_length_a 7.6038
_cell_length_b 7.722814
_cell_length_c 10.832305
_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 Sm12Nb4PaO27
_chemical_formula_sum "Sm12 Nb4 Pa1 O27"
_cell_length_a 7.6038
_cell_length_b 7.722814
_cell_length_c 10.832305
_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 | dfbb3e9a-449b-46af-8a45-849c581d48af | mp-1022594 | Change the atom at index 5 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Zn2Ga2
_chemical_formula_sum "Mg12 Zn2 Ga2"
_cell_length_a 4.935307
_cell_length_b 6.310967
_cell_length_c 10.63879
_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 Mg5SbMg6Zn2Ga2
_chemical_formula_sum "Mg11 Sb1 Zn2 Ga2"
_cell_length_a 4.935307
_cell_length_b 6.310967
_cell_length_c 10.63879
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | bebbe818-610f-42cd-b412-790c9692bb80 | mp-2226940 | Change the atom at index 11 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgZn2Ni4O8
_chemical_formula_sum "Mg1 Zn2 Ni4 O8"
_cell_length_a 6.24496673
_cell_length_b 5.848643550000001
_cell_length_c 5.85074879
_cell_angle_alpha 59.87032730000001
_cell_angle_beta 61.83354084
_cell_angle_gamma 61.98039920000... | data_image0
_chemical_formula_structural MgZn2Ni4O4NeO3
_chemical_formula_sum "Mg1 Zn2 Ni4 O7 Ne1"
_cell_length_a 6.24496673
_cell_length_b 5.848643550000001
_cell_length_c 5.85074879
_cell_angle_alpha 59.87032730000001
_cell_angle_beta 61.83354084
_cell_angle_gamma 61.980... |
ChangeAtomAction | bb1b9430-e3e6-493b-b5ab-0756b328b9b7 | mp-1226097 | Change the atom at index 10 into Md in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr6Co2CuSe12
_chemical_formula_sum "Cr6 Co2 Cu1 Se12"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_grou... | data_image0
_chemical_formula_structural Cr6Co2CuSeMdSe10
_chemical_formula_sum "Cr6 Co2 Cu1 Se11 Md1"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_sp... |
ChangeAtomAction | 791562fb-4604-48e0-8614-163c5859570f | mp-1523289 | 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 BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O5RuO6
_chemical_formula_sum "Ba1 Ca1 Sn4 O11 Ru1"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_... |
ChangeAtomAction | 44e98383-b1b6-4de8-8966-ef782a1ccf3d | mp-1206898 | 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 Y4In2Ge4
_chemical_formula_sum "Y4 In2 Ge4"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_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 Y4In2Ge2LaGe
_chemical_formula_sum "Y4 In2 Ge3 La1"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_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 | a1b819e7-d272-4a67-ad0f-7a4dd889eaf5 | mp-1214060 | Change the atom at index 11 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Mg10P6H2C2O32
_chemical_formula_sum "Ca2 Mg10 P6 H2 C2 O32"
_cell_length_a 6.385735
_cell_length_b 8.7735602
_cell_length_c 10.933108059999999
_cell_angle_alpha 94.93399089
_cell_angle_beta 100.99475019
_cell_angle_gamma 93.15584... | data_image0
_chemical_formula_structural Ca2Mg9YP6H2C2O32
_chemical_formula_sum "Ca2 Mg9 Y1 P6 H2 C2 O32"
_cell_length_a 6.385735
_cell_length_b 8.7735602
_cell_length_c 10.933108059999999
_cell_angle_alpha 94.93399089
_cell_angle_beta 100.99475019
_cell_angle_gamma 93.155... |
ChangeAtomAction | fa59ee6f-d950-44a5-8882-70dcae7c0fa9 | mp-558681 | Change the atom at index 34 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F10LiF5
_chemical_formula_sum "P8 Cl8 O8 F15 Li1"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | fe3a7f2f-55c4-4c1c-91da-745dcd70e8ce | mp-1196193 | Change the atom at index 18 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... | data_image0
_chemical_formula_structural FeSn4H13SrH10C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H23 Sr1 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma ... |
ChangeAtomAction | 0fc4038d-912a-465b-884b-e46c74715632 | mp-510581 | Change the atom at index 1 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4
_chemical_formula_sum "Pr2 Ni2 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural PrONi2Sn2H4
_chemical_formula_sum "Pr1 O1 Ni2 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt... |
ChangeAtomAction | ae6c2e73-237b-44f7-9d9b-34fe4616f3c4 | mp-862893 | Change the atom at index 32 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Th3Nb12O36
_chemical_formula_sum "Th3 Nb12 O36"
_cell_length_a 11.97588008
_cell_length_b 11.97588008
_cell_length_c 11.97588008
_cell_angle_alpha 152.94345047
_cell_angle_beta 96.08688022
_cell_angle_gamma 90.19512719
_space_group... | data_image0
_chemical_formula_structural Th3Nb12O17MgO18
_chemical_formula_sum "Th3 Nb12 O35 Mg1"
_cell_length_a 11.97588008
_cell_length_b 11.97588008
_cell_length_c 11.97588008
_cell_angle_alpha 152.94345047
_cell_angle_beta 96.08688022
_cell_angle_gamma 90.19512719
_sp... |
ChangeAtomAction | 7760c95f-dbc4-40de-82bb-215eedc6bff7 | mp-1205145 | Change the atom at index 70 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_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 Na8Ti4Si16H8O34SiO17
_chemical_formula_sum "Na8 Ti4 Si17 H8 O51"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | eb65cf3c-9e18-4246-ae4e-26de21c3caab | mp-768771 | Change the atom at index 46 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Bi4B8O24
_chemical_formula_sum "Li12 Bi4 B8 O24"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li12Bi4B8O22PoO
_chemical_formula_sum "Li12 Bi4 B8 O23 Po1"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
ChangeAtomAction | c1446d06-367f-4e6f-a39c-3ad98cd0a4b5 | mp-1205906 | Change the atom at index 4 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Mn2I2O12
_chemical_formula_sum "K2 Mn2 I2 O12"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2Mn2RfIO12
_chemical_formula_sum "K2 Mn2 Rf1 I1 O12"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_... |
ChangeAtomAction | 538daf27-a8e3-40eb-a950-424a16d60037 | mp-1211461 | Change the atom at index 26 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Li4Dy4F20
_chemical_formula_sum "K4 Li4 Dy4 F20"
_cell_length_a 6.43494672
_cell_length_b 6.26276227
_cell_length_c 11.66117988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.58188199999998
_space_group_name_H... | data_image0
_chemical_formula_structural K4Li4Dy4F14HgF5
_chemical_formula_sum "K4 Li4 Dy4 F19 Hg1"
_cell_length_a 6.43494672
_cell_length_b 6.26276227
_cell_length_c 11.66117988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.58188199999998
_space_grou... |
ChangeAtomAction | 4848c759-7dfe-408e-8873-99063b040549 | mp-2824 | Change the atom at index 9 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4Pd8
_chemical_formula_sum "Al4 Pd8"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Al4Pd5IrPd2
_chemical_formula_sum "Al4 Pd7 Ir1"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
ChangeAtomAction | e0420ed4-3e0d-45c8-9b82-5c8494086051 | mp-1046251 | Change the atom at index 19 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O9FrO6
_chemical_formula_sum "Ta4 Zn4 W2 O15 Fr1"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_... |
ChangeAtomAction | 6dd36758-74c0-4ed3-974a-1663b17e6fc1 | mp-754378 | Change the atom at index 8 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534081
_... | data_image0
_chemical_formula_structural Li2V6RnO7
_chemical_formula_sum "Li2 V6 Rn1 O7"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534... |
ChangeAtomAction | d30318f4-c740-4291-9997-0a39b2f6ccd4 | mp-17446 | Change the atom at index 19 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr4Pt4F28
_chemical_formula_sum "Pr4 Pt4 F28"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr4Pt4F11BF16
_chemical_formula_sum "Pr4 Pt4 F27 B1"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 0cfd67aa-7201-4226-b84e-b29dfe899c6e | mp-1079383 | Change the atom at index 7 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ce4In2CuWCu2
_chemical_formula_sum "Ce4 In2 Cu3 W1"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
ChangeAtomAction | ba0ee361-9e1f-4745-83ca-d91260b56e94 | mp-2223616 | Change the atom at index 6 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgCuH4IrOF2
_chemical_formula_sum "Mg1 Cu1 H4 Ir1 O1 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.42... |
ChangeAtomAction | 73565135-e827-4c44-8c3e-7a131e255e5e | mp-757276 | Change the atom at index 31 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Ti4P6O24
_chemical_formula_sum "Li6 Ti4 P6 O24"
_cell_length_a 4.96862546
_cell_length_b 4.96862546
_cell_length_c 18.6147344
_cell_angle_alpha 89.63124619
_cell_angle_beta 89.63124619
_cell_angle_gamma 66.84018246
_space_group_... | data_image0
_chemical_formula_structural Li6Ti4P6O15EsO8
_chemical_formula_sum "Li6 Ti4 P6 O23 Es1"
_cell_length_a 4.96862546
_cell_length_b 4.96862546
_cell_length_c 18.6147344
_cell_angle_alpha 89.63124619
_cell_angle_beta 89.63124619
_cell_angle_gamma 66.84018246
_spac... |
ChangeAtomAction | d596fbf6-0c49-42f6-a7da-b64c30907974 | mp-1199851 | Change the atom at index 24 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_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 Er4C12O8NO23
_chemical_formula_sum "Er4 C12 O31 N1"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_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 | 255082db-7cf4-4c1d-a993-e7cfcef623a9 | mp-760314 | 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 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 V3TlV2O5F19
_chemical_formula_sum "V5 Tl1 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
_s... |
ChangeAtomAction | 99ecf762-df7e-4881-b9f2-5a5f6f88f1af | mp-1219511 | Change the atom at index 7 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb4O16
_chemical_formula_sum "Sb4 O16"
_cell_length_a 7.37775671
_cell_length_b 7.377756709999999
_cell_length_c 7.37775671
_cell_angle_alpha 120.42942317
_cell_angle_beta 119.88450821
_cell_angle_gamma 89.72899265999999
_space_gro... | data_image0
_chemical_formula_structural Sb4O3PuO12
_chemical_formula_sum "Sb4 O15 Pu1"
_cell_length_a 7.37775671
_cell_length_b 7.377756709999999
_cell_length_c 7.37775671
_cell_angle_alpha 120.42942317
_cell_angle_beta 119.88450821
_cell_angle_gamma 89.72899265999999
_s... |
ChangeAtomAction | cca1384c-b531-4998-818d-7eb5d02d624b | mp-1235023 | 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 LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZn2FeDyFe2O8
_chemical_formula_sum "Li1 Zn2 Fe3 Dy1 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.2667... |
ChangeAtomAction | cbb85f61-99b7-4a5a-bc87-00e8600bd192 | mp-1276828 | Change the atom at index 20 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4La4Co4O16
_chemical_formula_sum "Sr4 La4 Co4 O16"
_cell_length_a 3.8627761
_cell_length_b 15.026006669999997
_cell_length_c 6.829179679999999
_cell_angle_alpha 80.67448944999998
_cell_angle_beta 106.36904066999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr4La4Co4O8NaO7
_chemical_formula_sum "Sr4 La4 Co4 O15 Na1"
_cell_length_a 3.8627761
_cell_length_b 15.026006669999997
_cell_length_c 6.829179679999999
_cell_angle_alpha 80.67448944999998
_cell_angle_beta 106.36904066999999
_cell_angle... |
ChangeAtomAction | c73a70c6-e293-41c8-8156-55b68f7637db | mp-1224390 | Change the atom at index 4 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural HfAu9
_chemical_formula_sum "Hf1 Au9"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural HfAu3OgAu5
_chemical_formula_sum "Hf1 Au8 Og1"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H... |
ChangeAtomAction | ecdac385-7ecb-4833-8709-2e0904d46069 | mp-776479 | Change the atom at index 27 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Y8I40
_chemical_formula_sum "Ba8 Y8 I40"
_cell_length_a 11.742243
_cell_length_b 13.92138
_cell_length_c 20.307581560000003
_cell_angle_alpha 51.23487621000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ba8Y8I11OI28
_chemical_formula_sum "Ba8 Y8 I39 O1"
_cell_length_a 11.742243
_cell_length_b 13.92138
_cell_length_c 20.307581560000003
_cell_angle_alpha 51.23487621000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | 265fc1bb-dd2a-442b-8fcb-b1bd3c509711 | mp-9855 | Change the atom at index 0 into Ac in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Hf2Cu2S6
_chemical_formula_sum "K2 Hf2 Cu2 S6"
_cell_length_a 3.732264
_cell_length_b 7.390573709999999
_cell_length_c 9.762009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 104.62559602000002
_space_group_name_H... | data_image0
_chemical_formula_structural AcKHf2Cu2S6
_chemical_formula_sum "Ac1 K1 Hf2 Cu2 S6"
_cell_length_a 3.732264
_cell_length_b 7.390573709999999
_cell_length_c 9.762009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 104.62559602000002
_space_group_n... |
ChangeAtomAction | da19d27d-d8f7-46ea-9df4-619d06888a73 | mp-2240631 | Change the atom at index 2 into Gd 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 6.46033923
_cell_length_b 2.9798687099999994
_cell_length_c 6.017675279999999
_cell_angle_alpha 91.69648976
_cell_angle_beta 101.10467135
_cell_angle_gamma 76.95590099
... | data_image0
_chemical_formula_structural MgTiGdCoO6
_chemical_formula_sum "Mg1 Ti1 Gd1 Co1 O6"
_cell_length_a 6.46033923
_cell_length_b 2.9798687099999994
_cell_length_c 6.017675279999999
_cell_angle_alpha 91.69648976
_cell_angle_beta 101.10467135
_cell_angle_gamma 76.9559... |
ChangeAtomAction | a140d462-c4a2-46fe-bed4-5c916720c916 | mp-1223327 | Change the atom at index 3 into Tm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4C2O10
_chemical_formula_sum "La4 C2 O10"
_cell_length_a 4.09957479
_cell_length_b 4.09957479
_cell_length_c 15.98046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.24407791
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural La3TmC2O10
_chemical_formula_sum "La3 Tm1 C2 O10"
_cell_length_a 4.09957479
_cell_length_b 4.09957479
_cell_length_c 15.98046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.24407791
_space_group_name_H-M_alt ... |
ChangeAtomAction | 375f6230-d98a-46d6-95ec-2203868fe146 | mp-20461 | Change the atom at index 6 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... | data_image0
_chemical_formula_structural Ba2Pb2O2AsO3
_chemical_formula_sum "Ba2 Pb2 O5 As1"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477... |
ChangeAtomAction | 3ec3d5f1-d526-40a9-acfd-cf38c276ac87 | mp-738612 | Change the atom at index 64 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2H32C6N16O14
_chemical_formula_sum "Zn2 H32 C6 N16 O14"
_cell_length_a 8.21034901
_cell_length_b 8.210349010000002
_cell_length_c 10.52835642
_cell_angle_alpha 67.70202015
_cell_angle_beta 67.70202015
_cell_angle_gamma 83.08920301... | data_image0
_chemical_formula_structural Zn2H32C6N16O8KrO5
_chemical_formula_sum "Zn2 H32 C6 N16 O13 Kr1"
_cell_length_a 8.21034901
_cell_length_b 8.210349010000002
_cell_length_c 10.52835642
_cell_angle_alpha 67.70202015
_cell_angle_beta 67.70202015
_cell_angle_gamma 83.0... |
ChangeAtomAction | bc1d85b3-d841-4cf2-a72c-528558888939 | mp-1192032 | Change the atom at index 10 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 103.6858... | data_image0
_chemical_formula_structural NaSr3Be3B3ArO8F4
_chemical_formula_sum "Na1 Sr3 Be3 B3 Ar1 O8 F4"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 10... |
ChangeAtomAction | 374612f3-557d-4282-99db-9db9924f7ef3 | mp-1203429 | Change the atom at index 11 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm8B24Os4
_chemical_formula_sum "Tm8 B24 Os4"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_group_name... | data_image0
_chemical_formula_structural Tm8B3NpB20Os4
_chemical_formula_sum "Tm8 B23 Np1 Os4"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_gr... |
ChangeAtomAction | de6293ab-fe01-421d-bb6a-c5e3164d6075 | mp-1101765 | Change the atom at index 9 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi4Rh4Se4
_chemical_formula_sum "Bi4 Rh4 Se4"
_cell_length_a 6.34286969
_cell_length_b 6.34286969
_cell_length_c 6.34286969
_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 Bi4Rh4SeBaSe2
_chemical_formula_sum "Bi4 Rh4 Se3 Ba1"
_cell_length_a 6.34286969
_cell_length_b 6.34286969
_cell_length_c 6.34286969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | b1fae746-cbb0-487f-9123-e739365625a3 | mp-21286 | Change the atom at index 8 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn4Co4UGe3
_chemical_formula_sum "Mn4 Co4 U1 Ge3"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 73dffd79-eb15-4116-a1f3-bda683021318 | mp-31027 | Change the atom at index 10 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc12Re8Si16
_chemical_formula_sum "Sc12 Re8 Si16"
_cell_length_a 10.15633872
_cell_length_b 10.15633872
_cell_length_c 13.69314321
_cell_angle_alpha 55.95864628999999
_cell_angle_beta 55.95864628999999
_cell_angle_gamma 30.586560140... | data_image0
_chemical_formula_structural Sc10KScRe8Si16
_chemical_formula_sum "Sc11 K1 Re8 Si16"
_cell_length_a 10.15633872
_cell_length_b 10.15633872
_cell_length_c 13.69314321
_cell_angle_alpha 55.95864628999999
_cell_angle_beta 55.95864628999999
_cell_angle_gamma 30.586... |
ChangeAtomAction | 558ff98d-21c9-4d80-8f9e-d230b030079d | mp-1219272 | Change the atom at index 22 into Ds 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 Sm4CrFe17DsFe15C4
_chemical_formula_sum "Sm4 Cr1 Fe32 Ds1 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
_s... |
ChangeAtomAction | 6e771c86-80a9-44a1-9b80-f9694d896503 | mp-1191177 | Change the atom at index 4 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Co14B6
_chemical_formula_sum "Tb4 Co14 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_space_gro... | data_image0
_chemical_formula_structural Tb4LiCo13B6
_chemical_formula_sum "Tb4 Li1 Co13 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_spa... |
ChangeAtomAction | d23381e9-dba8-4b25-8177-f5dbb04a478e | mp-753244 | Change the atom at index 3 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2MnBMn2F18
_chemical_formula_sum "Li2 Mn3 B1 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space... |
ChangeAtomAction | 5d2dee58-d705-4668-a964-b9649d31c3d3 | mp-600039 | Change the atom at index 52 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si24O48
_chemical_formula_sum "Si24 O48"
_cell_length_a 15.8848319
_cell_length_b 9.52246335
_cell_length_c 8.55610682
_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 Si24O28ThO19
_chemical_formula_sum "Si24 O47 Th1"
_cell_length_a 15.8848319
_cell_length_b 9.52246335
_cell_length_c 8.55610682
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | c4450356-4852-4d1e-a4a3-e402a8631995 | mp-19488 | Change the atom at index 2 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Mn4S4O16F12
_chemical_formula_sum "Rb8 Mn4 S4 O16 F12"
_cell_length_a 11.366418
_cell_length_b 7.482206
_cell_length_c 8.94542962
_cell_angle_alpha 86.77934557999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Rb2MtRb5Mn4S4O16F12
_chemical_formula_sum "Rb7 Mt1 Mn4 S4 O16 F12"
_cell_length_a 11.366418
_cell_length_b 7.482206
_cell_length_c 8.94542962
_cell_angle_alpha 86.77934557999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
ChangeAtomAction | 7c853419-e5e0-4aee-82c7-a9638d45dcda | mp-1211033 | Change the atom at index 11 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu11SnIn2Fe3
_chemical_formula_sum "Lu11 Sn1 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_... |
ChangeAtomAction | 2e817cce-ceee-44dc-b8cd-3576231d933d | mp-1206399 | Change the atom at index 9 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiVCl5F
_chemical_formula_sum "Rb2 Li1 V1 Cl5 F1"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_... |
ChangeAtomAction | 0b4635ab-dede-448f-ab2a-825ca98af58c | mp-11321 | Change the atom at index 16 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y6Ta2O8SrO5
_chemical_formula_sum "Y6 Ta2 O13 Sr1"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H... |
ChangeAtomAction | 401e370d-4358-416a-9649-24bfa186b11b | mp-555706 | Change the atom at index 31 into Ac in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Al4Si4H8O20
_chemical_formula_sum "Li4 Al4 Si4 H8 O20"
_cell_length_a 4.796556
_cell_length_b 9.028016
_cell_length_c 11.744496
_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 Li4Al4Si4H8O11AcO8
_chemical_formula_sum "Li4 Al4 Si4 H8 O19 Ac1"
_cell_length_a 4.796556
_cell_length_b 9.028016
_cell_length_c 11.744496
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 7b5c7338-79b9-43f2-9e59-096a557f2716 | mp-19489 | Change the atom at index 2 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2FlSmCo4B20O40
_chemical_formula_sum "Sm3 Fl1 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
ChangeAtomAction | 5ee37ee3-dbb2-4e0f-8938-1009438573b4 | mp-556233 | Change the atom at index 10 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KAs4ClO6
_chemical_formula_sum "K1 As4 Cl1 O6"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural KAs4ClO4OgO
_chemical_formula_sum "K1 As4 Cl1 O5 Og1"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name... |
ChangeAtomAction | 37fb02c6-cffb-420f-abc8-d2160aaa92ab | mp-650121 | Change the atom at index 24 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li12Se6O6ReO17
_chemical_formula_sum "Li12 Se6 O23 Re1"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_g... |
ChangeAtomAction | 23dc461f-702a-406e-b362-f86e245c3736 | mp-1245725 | Change the atom at index 8 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr12Ni8N16
_chemical_formula_sum "Sr12 Ni8 N16"
_cell_length_a 5.86012
_cell_length_b 9.996389
_cell_length_c 9.445696
_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 Sr8TbSr3Ni8N16
_chemical_formula_sum "Sr11 Tb1 Ni8 N16"
_cell_length_a 5.86012
_cell_length_b 9.996389
_cell_length_c 9.445696
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | d7f1dea3-7b6f-4fe2-904b-b36fc310b098 | mp-1173734 | Change the atom at index 3 into Nh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03905514... | data_image0
_chemical_formula_structural NaCa2NhFe4Si8O24
_chemical_formula_sum "Na1 Ca2 Nh1 Fe4 Si8 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03... |
ChangeAtomAction | a09497df-2e5c-49bd-bbe3-76a4327c0e49 | mp-542830 | Change the atom at index 9 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn23C6
_chemical_formula_sum "Mn23 C6"
_cell_length_a 7.42191675
_cell_length_b 7.42191123
_cell_length_c 7.42190135
_cell_angle_alpha 60.00005357000002
_cell_angle_beta 60.00007819000001
_cell_angle_gamma 60.001147960000004
_space... | data_image0
_chemical_formula_structural Mn9NaMn13C6
_chemical_formula_sum "Mn22 Na1 C6"
_cell_length_a 7.42191675
_cell_length_b 7.42191123
_cell_length_c 7.42190135
_cell_angle_alpha 60.00005357000002
_cell_angle_beta 60.00007819000001
_cell_angle_gamma 60.00114796000000... |
ChangeAtomAction | 6b4a811d-310d-434d-905b-71e1d701a0f3 | mp-2230054 | Change the atom at index 11 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCu6O2F10
_chemical_formula_sum "Mg1 Cu6 O2 F10"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.02053913999998
_s... | data_image0
_chemical_formula_structural MgCu6O2F2CaF7
_chemical_formula_sum "Mg1 Cu6 O2 F9 Ca1"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.020539139999... |
ChangeAtomAction | 1002116f-73c0-467a-90f6-25c10ca8505b | mp-2230007 | Change the atom at index 2 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4MgTi2Ag4S8
_chemical_formula_sum "Cs4 Mg1 Ti2 Ag4 S8"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_group_... | data_image0
_chemical_formula_structural Cs2ErCsMgTi2Ag4S8
_chemical_formula_sum "Cs3 Er1 Mg1 Ti2 Ag4 S8"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_spac... |
ChangeAtomAction | 9f4daf55-52be-4358-bb47-97a3e20b5892 | mp-31230 | Change the atom at index 0 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl4Cr4O14
_chemical_formula_sum "Tl4 Cr4 O14"
_cell_length_a 7.535238
_cell_length_b 7.744585460000001
_cell_length_c 7.92364084
_cell_angle_alpha 108.10319573
_cell_angle_beta 91.47692726
_cell_angle_gamma 111.17845443000002
_spac... | data_image0
_chemical_formula_structural LiTl3Cr4O14
_chemical_formula_sum "Li1 Tl3 Cr4 O14"
_cell_length_a 7.535238
_cell_length_b 7.744585460000001
_cell_length_c 7.92364084
_cell_angle_alpha 108.10319573
_cell_angle_beta 91.47692726
_cell_angle_gamma 111.17845443000002
... |
ChangeAtomAction | cffee80c-4c33-4c01-b075-f0f2bee63fe8 | mp-849387 | 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 Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu6OF9ReF
_chemical_formula_sum "Cu6 O1 F10 Re1"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_spa... |
ChangeAtomAction | d40e425e-cf10-4072-ab63-d3cb832ca90c | mp-1105094 | Change the atom at index 4 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl4Hg4Cl12
_chemical_formula_sum "Tl4 Hg4 Cl12"
_cell_length_a 4.36965245
_cell_length_b 9.24800615
_cell_length_c 14.07342645
_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 Tl4AtHg3Cl12
_chemical_formula_sum "Tl4 At1 Hg3 Cl12"
_cell_length_a 4.36965245
_cell_length_b 9.24800615
_cell_length_c 14.07342645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | c728f311-5d8e-492a-b140-6c38679f60be | mp-676712 | Change the atom at index 25 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Re12Se12Cl12
_chemical_formula_sum "Re12 Se12 Cl12"
_cell_length_a 9.3449135
_cell_length_b 9.34516927
_cell_length_c 11.316750129999999
_cell_angle_alpha 89.99556122
_cell_angle_beta 90.00237911999999
_cell_angle_gamma 103.78862754... | data_image0
_chemical_formula_structural Re12Se12ClAuCl10
_chemical_formula_sum "Re12 Se12 Cl11 Au1"
_cell_length_a 9.3449135
_cell_length_b 9.34516927
_cell_length_c 11.316750129999999
_cell_angle_alpha 89.99556122
_cell_angle_beta 90.00237911999999
_cell_angle_gamma 103.... |
ChangeAtomAction | 2c92e537-7f7c-4a55-a347-fa2c9ea185f0 | mp-1234848 | Change the atom at index 2 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgAg14Pb6O18
_chemical_formula_sum "Mg1 Ag14 Pb6 O18"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_space_gro... | data_image0
_chemical_formula_structural MgAgYAg12Pb6O18
_chemical_formula_sum "Mg1 Ag13 Y1 Pb6 O18"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_spa... |
ChangeAtomAction | 9700f37f-4456-49a1-8b23-a59711a18a05 | mp-757738 | Change the atom at index 14 into Ge in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe14GeFe4Co5O32
_chemical_formula_sum "Fe18 Ge1 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma ... |
ChangeAtomAction | 7a493a97-c5b7-4225-a1a2-8d0cefea6a7e | mp-1223619 | Change the atom at index 79 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Al4Si16O60
_chemical_formula_sum "Mg4 Al4 Si16 O60"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_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 Mg4Al4Si16O55TlO4
_chemical_formula_sum "Mg4 Al4 Si16 O59 Tl1"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | 0d897445-cd40-4306-b4ee-b58cfbb65ad0 | mp-23451 | Change the atom at index 22 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs6Cr4Br18
_chemical_formula_sum "Cs6 Cr4 Br18"
_cell_length_a 7.62323495
_cell_length_b 7.62327647
_cell_length_c 19.0983966
_cell_angle_alpha 90.00298197
_cell_angle_beta 89.99842621
_cell_angle_gamma 119.99949748000002
_space_gr... | data_image0
_chemical_formula_structural Cs6Cr4Br12MoBr5
_chemical_formula_sum "Cs6 Cr4 Br17 Mo1"
_cell_length_a 7.62323495
_cell_length_b 7.62327647
_cell_length_c 19.0983966
_cell_angle_alpha 90.00298197
_cell_angle_beta 89.99842621
_cell_angle_gamma 119.99949748000002
... |
ChangeAtomAction | c4d7f7b1-5ba4-485f-8e4f-5dfb77b32bce | mp-1212741 | Change the atom at index 17 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2Al6B8O24
_chemical_formula_sum "Eu2 Al6 B8 O24"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599
_spa... | data_image0
_chemical_formula_structural Eu2Al6B8OMgO22
_chemical_formula_sum "Eu2 Al6 B8 O23 Mg1"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.1064759... |
ChangeAtomAction | fb8846fa-9edf-4500-8a30-b02480814309 | mp-1247150 | Change the atom at index 29 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn24N28
_chemical_formula_sum "Li4 Mn24 N28"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn24NHsN26
_chemical_formula_sum "Li4 Mn24 N27 Hs1"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | 20ec0b94-834e-4361-807b-7f713d6fc6ff | mp-861587 | Change the atom at index 4 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr2In8Pd
_chemical_formula_sum "Pr2 In8 Pd1"
_cell_length_a 4.71906071
_cell_length_b 4.71904568
_cell_length_c 12.291611279999998
_cell_angle_alpha 89.99592426
_cell_angle_beta 90.00111952000002
_cell_angle_gamma 90.01682849
_spac... | data_image0
_chemical_formula_structural Pr2In2MnIn5Pd
_chemical_formula_sum "Pr2 In7 Mn1 Pd1"
_cell_length_a 4.71906071
_cell_length_b 4.71904568
_cell_length_c 12.291611279999998
_cell_angle_alpha 89.99592426
_cell_angle_beta 90.00111952000002
_cell_angle_gamma 90.016828... |
ChangeAtomAction | 0f68c56e-7b82-4451-bbe1-c42d0d2223ff | mp-1224899 | Change the atom at index 1 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural FeRePb2O6
_chemical_formula_sum "Fe1 Re1 Pb2 O6"
_cell_length_a 5.68562389
_cell_length_b 5.6856238900000005
_cell_length_c 5.68562389
_cell_angle_alpha 119.92988942
_cell_angle_beta 119.92988942
_cell_angle_gamma 90.12147804
_spac... | data_image0
_chemical_formula_structural FeTePb2O6
_chemical_formula_sum "Fe1 Te1 Pb2 O6"
_cell_length_a 5.68562389
_cell_length_b 5.6856238900000005
_cell_length_c 5.68562389
_cell_angle_alpha 119.92988942
_cell_angle_beta 119.92988942
_cell_angle_gamma 90.12147804
_spac... |
ChangeAtomAction | d13c9fbb-c2ff-4b48-9529-6082645c88f2 | mp-1214585 | Change the atom at index 1 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 BaKPrCu3O6
_chemical_formula_sum "Ba1 K1 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 | 21a59b61-4781-4467-bd2f-d2f044f6bb13 | mp-557123 | Change the atom at index 19 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si7BrSi4O32
_chemical_formula_sum "Na8 Cu4 Si11 Br1 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | 22a55552-2394-47ae-9364-ffffee851595 | mp-29185 | Change the atom at index 1 into Th 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 TeThTe2O6F4
_chemical_formula_sum "Te3 Th1 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 92.67831409999... |
ChangeAtomAction | 09554050-b84e-4f00-af27-02addb8cbcc5 | mp-532424 | Change the atom at index 49 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Al22O34
_chemical_formula_sum "K2 Al22 O34"
_cell_length_a 5.64933404
_cell_length_b 5.64933404
_cell_length_c 23.20832425
_cell_angle_alpha 83.2237268
_cell_angle_beta 83.2237268
_cell_angle_gamma 60.13413613
_space_group_name_H... | data_image0
_chemical_formula_structural K2Al22O25TlO8
_chemical_formula_sum "K2 Al22 O33 Tl1"
_cell_length_a 5.64933404
_cell_length_b 5.64933404
_cell_length_c 23.20832425
_cell_angle_alpha 83.2237268
_cell_angle_beta 83.2237268
_cell_angle_gamma 60.13413613
_space_grou... |
ChangeAtomAction | db34ba13-85bc-436d-a28d-9a68d6c797ed | mp-976118 | Change the atom at index 19 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg2H12I6N2O2
_chemical_formula_sum "Hg2 H12 I6 N2 O2"
_cell_length_a 7.38594597
_cell_length_b 7.38594597
_cell_length_c 9.046789620000002
_cell_angle_alpha 88.57508227
_cell_angle_beta 88.57508227
_cell_angle_gamma 81.43844644
_sp... | data_image0
_chemical_formula_structural Hg2H12I5RfN2O2
_chemical_formula_sum "Hg2 H12 I5 Rf1 N2 O2"
_cell_length_a 7.38594597
_cell_length_b 7.38594597
_cell_length_c 9.046789620000002
_cell_angle_alpha 88.57508227
_cell_angle_beta 88.57508227
_cell_angle_gamma 81.4384464... |
ChangeAtomAction | fde7f3f4-4f2a-4a83-b234-e411dc4b61e0 | mp-1218673 | Change the atom at index 41 into Eu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural Sr4Zn37EuZn13
_chemical_formula_sum "Sr4 Zn50 Eu1"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma ... |
ChangeAtomAction | 65f88986-ae20-420c-a168-bbd0b3628bf1 | mp-1189919 | Change the atom at index 8 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3P3O12
_chemical_formula_sum "Li3 P3 O12"
_cell_length_a 7.48802157
_cell_length_b 7.48802157
_cell_length_c 7.488021340000001
_cell_angle_alpha 114.25624954000001
_cell_angle_beta 114.25624954
_cell_angle_gamma 114.25623792
_spa... | data_image0
_chemical_formula_structural Li3P3O2NO9
_chemical_formula_sum "Li3 P3 O11 N1"
_cell_length_a 7.48802157
_cell_length_b 7.48802157
_cell_length_c 7.488021340000001
_cell_angle_alpha 114.25624954000001
_cell_angle_beta 114.25624954
_cell_angle_gamma 114.25623792
... |
ChangeAtomAction | 9d3a3aa6-3148-4266-872a-5047ac2f80ca | mp-558681 | Change the atom at index 39 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F15Sm
_chemical_formula_sum "P8 Cl8 O8 F15 Sm1"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 7a9d434f-fcc7-468e-be77-53e847698cec | mp-542012 | Change the atom at index 21 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb8Hf6S7SgS20
_chemical_formula_sum "Rb8 Hf6 S27 Sg1"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gam... |
ChangeAtomAction | 98be9b5e-e6a4-4c8f-9637-42fd8642f9fa | mp-19489 | Change the atom at index 18 into Pd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B10PdB9O40
_chemical_formula_sum "Sm4 Co4 B19 Pd1 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
ChangeAtomAction | 7b754063-d450-4b45-adf9-e6bb50a44796 | mp-24402 | Change the atom at index 22 into Cr 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 Ca4Al4Si4H4O6CrO13
_chemical_formula_sum "Ca4 Al4 Si4 H4 O19 Cr1"
_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 | bdad956d-889d-48c5-afa6-1715ca113ee1 | mp-861061 | Change the atom at index 35 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Si6Ni6O20
_chemical_formula_sum "Li4 Si6 Ni6 O20"
_cell_length_a 8.18177174
_cell_length_b 8.18177174
_cell_length_c 10.22695143
_cell_angle_alpha 86.90636598
_cell_angle_beta 86.90636598
_cell_angle_gamma 33.921792270000005
_sp... | data_image0
_chemical_formula_structural Li4Si6Ni6O19Xe
_chemical_formula_sum "Li4 Si6 Ni6 O19 Xe1"
_cell_length_a 8.18177174
_cell_length_b 8.18177174
_cell_length_c 10.22695143
_cell_angle_alpha 86.90636598
_cell_angle_beta 86.90636598
_cell_angle_gamma 33.92179227000000... |
ChangeAtomAction | 5057a331-d675-4c6d-b9a0-87a854dd5df4 | mp-572465 | Change the atom at index 32 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S16ZnS7
_chemical_formula_sum "Cr4 Cu4 P8 S23 Zn1"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | 2a48b358-f931-49a4-9099-69a95f265fc2 | mp-1044027 | Change the atom at index 18 into Ag in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2La2Fe2W2O12
_chemical_formula_sum "Ca2 La2 Fe2 W2 O12"
_cell_length_a 5.64050216
_cell_length_b 8.00577387
_cell_length_c 5.75555461
_cell_angle_alpha 89.84650841
_cell_angle_beta 90.76807382999999
_cell_angle_gamma 89.4459353
_... | data_image0
_chemical_formula_structural Ca2La2Fe2W2O10AgO
_chemical_formula_sum "Ca2 La2 Fe2 W2 O11 Ag1"
_cell_length_a 5.64050216
_cell_length_b 8.00577387
_cell_length_c 5.75555461
_cell_angle_alpha 89.84650841
_cell_angle_beta 90.76807382999999
_cell_angle_gamma 89.445... |
ChangeAtomAction | 2a185c8d-6bca-4266-8fe9-02cb3934ad69 | mp-1111119 | Change the atom at index 5 into Ho in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2YInF6
_chemical_formula_sum "K2 Y1 In1 F6"
_cell_length_a 6.75247661
_cell_length_b 6.752476610000001
_cell_length_c 6.75247661
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural K2YInFHoF4
_chemical_formula_sum "K2 Y1 In1 F5 Ho1"
_cell_length_a 6.75247661
_cell_length_b 6.752476610000001
_cell_length_c 6.75247661
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999... |
ChangeAtomAction | 6505e7ae-f07d-4998-8451-da79850a9e8e | mp-1043709 | Change the atom at index 34 into Ac in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Ti2Sn2P6O24
_chemical_formula_sum "Ca2 Ti2 Sn2 P6 O24"
_cell_length_a 8.98097891
_cell_length_b 8.9809792
_cell_length_c 8.98097933
_cell_angle_alpha 58.52300131
_cell_angle_beta 58.523004359999995
_cell_angle_gamma 58.5230127799... | data_image0
_chemical_formula_structural Ca2Ti2Sn2P6O22AcO
_chemical_formula_sum "Ca2 Ti2 Sn2 P6 O23 Ac1"
_cell_length_a 8.98097891
_cell_length_b 8.9809792
_cell_length_c 8.98097933
_cell_angle_alpha 58.52300131
_cell_angle_beta 58.523004359999995
_cell_angle_gamma 58.523... |
ChangeAtomAction | 6ece976e-9a39-43eb-bbdb-ea9cb47386e8 | mp-779533 | Change the atom at index 23 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 Ba12Br8O3EsO4
_chemical_formula_sum "Ba12 Br8 O7 Es1"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | 9c36f2ae-6de4-498d-bd02-66d2921351a6 | mp-1227442 | Change the atom at index 5 into U 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 Be2BH2UO5
_chemical_formula_sum "Be2 B1 H2 U1 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 | 06022be1-a1fc-4828-97d9-44bed557228b | mp-28481 | Change the atom at index 18 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural Ti2Cl8O8TeO23
_chemical_formula_sum "Ti2 Cl8 O31 Te1"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_gro... |
ChangeAtomAction | 453931af-4af8-4f39-bc45-fbaad0e801a3 | mp-1199329 | Change the atom at index 19 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural Gd4P4H4C7RnO24
_chemical_formula_sum "Gd4 P4 H4 C7 Rn1 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_... |
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