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 | fe46358c-1940-4275-816a-ffbcd3dc189f | mp-850934 | Change the atom at index 17 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe6O11F
_chemical_formula_sum "Fe6 O11 F1"
_cell_length_a 4.633818
_cell_length_b 5.50847985
_cell_length_c 7.55472791
_cell_angle_alpha 84.91090458999999
_cell_angle_beta 89.07644466999999
_cell_angle_gamma 88.78384201
_space_grou... | data_image0
_chemical_formula_structural Fe6O11Fe
_chemical_formula_sum "Fe7 O11"
_cell_length_a 4.633818
_cell_length_b 5.50847985
_cell_length_c 7.55472791
_cell_angle_alpha 84.91090458999999
_cell_angle_beta 89.07644466999999
_cell_angle_gamma 88.78384201
_space_group_... |
ChangeAtomAction | e633c503-15a4-4099-abd6-e4a92af158f0 | mp-26228 | Change the atom at index 33 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O21HfO6
_chemical_formula_sum "V4 P8 O27 Hf1"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.3830... |
ChangeAtomAction | ae855569-4794-4603-b9fc-5e8c090cdb64 | mp-568136 | Change the atom at index 5 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb5ErV6Br18
_chemical_formula_sum "Rb5 Er1 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950... |
ChangeAtomAction | cd03abb0-fdbf-47aa-90f8-51e99e751408 | mp-1193101 | 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 Sr6Mn6O18
_chemical_formula_sum "Sr6 Mn6 O18"
_cell_length_a 5.42140775
_cell_length_b 5.42140784
_cell_length_c 13.37753335
_cell_angle_alpha 89.99999897
_cell_angle_beta 90.0000015
_cell_angle_gamma 119.99995005
_space_group_name... | data_image0
_chemical_formula_structural Sr6Mn4InMnO18
_chemical_formula_sum "Sr6 Mn5 In1 O18"
_cell_length_a 5.42140775
_cell_length_b 5.42140784
_cell_length_c 13.37753335
_cell_angle_alpha 89.99999897
_cell_angle_beta 90.0000015
_cell_angle_gamma 119.99995005
_space_gr... |
ChangeAtomAction | 74e561fe-0acc-4aa9-b43e-61ba4d696abf | mp-755554 | Change the atom at index 9 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Fe2F5ZnF2
_chemical_formula_sum "Li2 Fe2 F7 Zn1"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | eeb10fdb-23dc-497e-aac5-8d442c75b8ae | mp-754851 | Change the atom at index 6 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co4Sn4O16
_chemical_formula_sum "Li8 Co4 Sn4 O16"
_cell_length_a 5.96131296
_cell_length_b 8.06893522
_cell_length_c 8.06876536
_cell_angle_alpha 111.35697518
_cell_angle_beta 68.32025619
_cell_angle_gamma 111.68295944000002
_sp... | data_image0
_chemical_formula_structural Li6CuLiCo4Sn4O16
_chemical_formula_sum "Li7 Cu1 Co4 Sn4 O16"
_cell_length_a 5.96131296
_cell_length_b 8.06893522
_cell_length_c 8.06876536
_cell_angle_alpha 111.35697518
_cell_angle_beta 68.32025619
_cell_angle_gamma 111.68295944000... |
ChangeAtomAction | 40c4c15e-85d4-462b-996c-5aa22e31e7e1 | mp-558289 | Change the atom at index 48 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4Ag8Se8O32
_chemical_formula_sum "U4 Ag8 Se8 O32"
_cell_length_a 6.633157
_cell_length_b 5.998611
_cell_length_c 21.68985918
_cell_angle_alpha 80.49377908
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U4Ag8Se8O28BO3
_chemical_formula_sum "U4 Ag8 Se8 O31 B1"
_cell_length_a 6.633157
_cell_length_b 5.998611
_cell_length_c 21.68985918
_cell_angle_alpha 80.49377908
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 96de7bd5-5e49-42b4-9f99-c004de3aabbd | mp-705637 | Change the atom at index 56 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... | data_image0
_chemical_formula_structural Ni16P16O24AlO39
_chemical_formula_sum "Ni16 P16 O63 Al1"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_spa... |
ChangeAtomAction | 6231c0fa-a54b-4d0f-8b3b-4633ae34956b | mp-1191086 | Change the atom at index 4 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn2ZnCu9P7
_chemical_formula_sum "Nd2 Mn2 Zn1 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_na... |
ChangeAtomAction | bd44b2fc-46ba-4253-959e-56894d4b5a51 | mp-30385 | Change the atom at index 8 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ho8OsAu3
_chemical_formula_sum "Ho8 Os1 Au3"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | f5f91c0b-2033-4b0f-bf78-813ccfb68fb5 | mp-735027 | Change the atom at index 12 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 V4S8ClN3O36
_chemical_formula_sum "V4 S8 Cl1 N3 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 | a79a691f-4ef5-4099-b253-1b222b90202d | mp-1239253 | Change the atom at index 10 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NbCr3Ag2S8
_chemical_formula_sum "Nb1 Cr3 Ag2 S8"
_cell_length_a 7.21965027
_cell_length_b 7.21965027
_cell_length_c 7.28202321
_cell_angle_alpha 60.76293235000001
_cell_angle_beta 60.76293234999999
_cell_angle_gamma 60.876866499999... | data_image0
_chemical_formula_structural NbCr3Ag2S4SeS3
_chemical_formula_sum "Nb1 Cr3 Ag2 S7 Se1"
_cell_length_a 7.21965027
_cell_length_b 7.21965027
_cell_length_c 7.28202321
_cell_angle_alpha 60.76293235000001
_cell_angle_beta 60.76293234999999
_cell_angle_gamma 60.8768... |
ChangeAtomAction | 060ec27c-b08b-4aec-acd4-5e9a5c8b5639 | mp-776267 | Change the atom at index 27 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O15Cl
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O15 Cl1"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.0014801900... |
ChangeAtomAction | e22854c9-a48b-4395-a25c-fc6b6f21abdf | mp-1043670 | Change the atom at index 9 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2Ni8O12
_chemical_formula_sum "Zn2 Ni8 O12"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn2Ni7O13
_chemical_formula_sum "Zn2 Ni7 O13"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 5e727865-2011-4433-a633-19e17c640dd0 | mp-704879 | Change the atom at index 31 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni10Te8Br4O24
_chemical_formula_sum "Ni10 Te8 Br4 O24"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma 29.10422... | data_image0
_chemical_formula_structural Ni10Te8Br4O9PuO14
_chemical_formula_sum "Ni10 Te8 Br4 O23 Pu1"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma ... |
ChangeAtomAction | ffbe1795-e8e3-40fa-bf44-c2519e50f465 | mp-19512 | Change the atom at index 6 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4V8P8O40
_chemical_formula_sum "Ba4 V8 P8 O40"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ba4V2OsV5P8O40
_chemical_formula_sum "Ba4 V7 Os1 P8 O40"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | d19b07fe-d2eb-4bcc-a365-5a22a24b4dc0 | mp-7199 | Change the atom at index 4 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Pr2Te8
_chemical_formula_sum "Rb2 Pr2 Te8"
_cell_length_a 7.0061598
_cell_length_b 7.0061598
_cell_length_c 9.23461387
_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 Rb2Pr2CnTe7
_chemical_formula_sum "Rb2 Pr2 Cn1 Te7"
_cell_length_a 7.0061598
_cell_length_b 7.0061598
_cell_length_c 9.23461387
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | a45ff6c8-66c1-43b1-9b48-df3f320031df | mp-10339 | Change the atom at index 11 into Gd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Nb4O12
_chemical_formula_sum "Sr4 Nb4 O12"
_cell_length_a 5.72665767
_cell_length_b 5.73016776
_cell_length_c 8.13508265
_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 Sr4Nb4O3GdO8
_chemical_formula_sum "Sr4 Nb4 O11 Gd1"
_cell_length_a 5.72665767
_cell_length_b 5.73016776
_cell_length_c 8.13508265
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 5afcb657-62fc-4155-97d9-07811e7a8c15 | mp-1247690 | Change the atom at index 6 into Rg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrCa7Mn8O24
_chemical_formula_sum "Sr1 Ca7 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_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 SrCa5RgCaMn8O24
_chemical_formula_sum "Sr1 Ca6 Rg1 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 7e2eeded-c2b5-4772-933e-d5e9e32fa2ea | mp-1194089 | Change the atom at index 26 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CaMn25FeMn2
_chemical_formula_sum "Ca1 Mn27 Fe1"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... |
ChangeAtomAction | 6a881a5c-d14d-4723-be00-da9e4a5a6c20 | mp-18051 | Change the atom at index 24 into H in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... | data_image0
_chemical_formula_structural La8Ti4O12HO7
_chemical_formula_sum "La8 Ti4 O19 H1"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_gro... |
ChangeAtomAction | 7748ed81-4e5c-4e0c-84d5-80c6c00e396d | mp-715438 | Change the atom at index 7 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe6O8
_chemical_formula_sum "Fe6 O8"
_cell_length_a 2.94267094
_cell_length_b 5.098815649999999
_cell_length_c 9.99026188
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma 73.27708706
_space_group_name_H-M... | data_image0
_chemical_formula_structural Fe6ONoO6
_chemical_formula_sum "Fe6 O7 No1"
_cell_length_a 2.94267094
_cell_length_b 5.098815649999999
_cell_length_c 9.99026188
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma 73.27708706
_space_group_n... |
ChangeAtomAction | b39918c6-6dc6-4195-87ba-71fab2657681 | mp-554765 | Change the atom at index 12 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSb2F9ThF2
_chemical_formula_sum "Ba1 Sb2 F11 Th1"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space... |
ChangeAtomAction | 9ef834fd-ab74-4ae9-88d5-59b085a009d4 | mp-1208150 | Change the atom at index 5 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Th4Cr4Sb12
_chemical_formula_sum "Th4 Cr4 Sb12"
_cell_length_a 6.199992
_cell_length_b 6.315171
_cell_length_c 12.955849
_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 Th4CrReCr2Sb12
_chemical_formula_sum "Th4 Cr3 Re1 Sb12"
_cell_length_a 6.199992
_cell_length_b 6.315171
_cell_length_c 12.955849
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 1d33ce0a-436d-46fe-bf81-117b038d63c8 | mp-774237 | Change the atom at index 8 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... | data_image0
_chemical_formula_structural Li5Cr2NiSbNi3O12
_chemical_formula_sum "Li5 Cr2 Ni4 Sb1 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.... |
ChangeAtomAction | 67e6df00-6859-4542-90f7-5570fa8e54d0 | mp-2207630 | Change the atom at index 0 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8La4F20
_chemical_formula_sum "Rb8 La4 F20"
_cell_length_a 6.89019891
_cell_length_b 7.81879989
_cell_length_c 11.312775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural LrRb7La4F20
_chemical_formula_sum "Lr1 Rb7 La4 F20"
_cell_length_a 6.89019891
_cell_length_b 7.81879989
_cell_length_c 11.312775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 3ec8495a-608a-4cc1-8444-160c0c456e82 | mp-562662 | Change the atom at index 37 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Co4C8O24F8
_chemical_formula_sum "Ba8 Co4 C8 O24 F8"
_cell_length_a 6.749409
_cell_length_b 9.088334
_cell_length_c 11.704113
_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 Ba8Co4C8O17GaO6F8
_chemical_formula_sum "Ba8 Co4 C8 O23 Ga1 F8"
_cell_length_a 6.749409
_cell_length_b 9.088334
_cell_length_c 11.704113
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 7684bdb3-6f9c-427a-a818-12dc2b67d731 | mp-755978 | Change the atom at index 1 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... | data_image0
_chemical_formula_structural NiAuNi4O2F10
_chemical_formula_sum "Ni5 Au1 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
... |
ChangeAtomAction | 76074223-fe0e-4f06-9169-f0a1a852a2c4 | mp-21683 | Change the atom at index 9 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... | data_image0
_chemical_formula_structural In2Ni7RfNi13P6
_chemical_formula_sum "In2 Ni20 Rf1 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.0058061100000... |
ChangeAtomAction | 82506501-c23b-4eeb-8296-f42e750b67d4 | mp-1211033 | Change the atom at index 16 into Te 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 Lu12In2Fe2Te
_chemical_formula_sum "Lu12 In2 Fe2 Te1"
_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 | 19976652-0a89-4c95-afb1-ab2caeb0587b | mp-1205446 | 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 Hg32Br12O16
_chemical_formula_sum "Hg32 Br12 O16"
_cell_length_a 6.37154252
_cell_length_b 6.94871517
_cell_length_c 31.68044603
_cell_angle_alpha 83.68968203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg11SnHg20Br12O16
_chemical_formula_sum "Hg31 Sn1 Br12 O16"
_cell_length_a 6.37154252
_cell_length_b 6.94871517
_cell_length_c 31.68044603
_cell_angle_alpha 83.68968203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | 04869bde-a7a4-4caf-980a-14279b2db389 | mp-1038443 | Change the atom at index 32 into Ds in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural HfMg30CdDsO31
_chemical_formula_sum "Hf1 Mg30 Cd1 Ds1 O31"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 0dc9ed45-6057-4fa7-86d8-2485e26cbf8b | mp-1029771 | Change the atom at index 22 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N10ErN
_chemical_formula_sum "Ca8 Re4 N11 Er1"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.5252342600000... |
ChangeAtomAction | 72d9965d-4fc6-4592-b9a9-eab6d2d62726 | mp-1215346 | Change the atom at index 9 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Al4CrMnCr2
_chemical_formula_sum "Zr4 Al4 Cr3 Mn1"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H... |
ChangeAtomAction | e88b6ba3-983a-4129-9860-3935edc576b0 | mp-1176871 | Change the atom at index 6 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li6MtLi7V6P16O58
_chemical_formula_sum "Li13 Mt1 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.9491128... |
ChangeAtomAction | 55cbd714-4c5c-4aec-bfbd-3f90ce2752dc | mp-775016 | Change the atom at index 8 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2Cr2P4O16
_chemical_formula_sum "Mn2 Cr2 P4 O16"
_cell_length_a 4.83844923
_cell_length_b 9.86507043
_cell_length_c 5.88522203
_cell_angle_alpha 90.00640642999998
_cell_angle_beta 89.99026565999999
_cell_angle_gamma 91.72516821
_... | data_image0
_chemical_formula_structural Mn2Cr2P4FmO15
_chemical_formula_sum "Mn2 Cr2 P4 Fm1 O15"
_cell_length_a 4.83844923
_cell_length_b 9.86507043
_cell_length_c 5.88522203
_cell_angle_alpha 90.00640642999998
_cell_angle_beta 89.99026565999999
_cell_angle_gamma 91.72516... |
ChangeAtomAction | 121e071c-0f5d-4f3f-ac21-f71b4b8608e7 | mp-1320145 | Change the atom at index 3 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Fe2Mo2Cl2O8
_chemical_formula_sum "Li2 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.11409378
_cell_length_b 7.06203233
_cell_length_c 7.13712466
_cell_angle_alpha 89.81401738
_cell_angle_beta 91.97105808
_cell_angle_gamma 89.97829328
_space... | data_image0
_chemical_formula_structural Li2FeIMo2Cl2O8
_chemical_formula_sum "Li2 Fe1 I1 Mo2 Cl2 O8"
_cell_length_a 5.11409378
_cell_length_b 7.06203233
_cell_length_c 7.13712466
_cell_angle_alpha 89.81401738
_cell_angle_beta 91.97105808
_cell_angle_gamma 89.97829328
_sp... |
ChangeAtomAction | 7cb8308b-19e9-4e99-8a5f-4d0f9e9e9487 | mp-1106114 | Change the atom at index 11 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb6Nd2N12
_chemical_formula_sum "Rb6 Nd2 N12"
_cell_length_a 8.31267826
_cell_length_b 8.31267826
_cell_length_c 8.31267785
_cell_angle_alpha 90.96326456999999
_cell_angle_beta 90.96326456999999
_cell_angle_gamma 90.96325711999998
... | data_image0
_chemical_formula_structural Rb6Nd2N3FmN8
_chemical_formula_sum "Rb6 Nd2 N11 Fm1"
_cell_length_a 8.31267826
_cell_length_b 8.31267826
_cell_length_c 8.31267785
_cell_angle_alpha 90.96326456999999
_cell_angle_beta 90.96326456999999
_cell_angle_gamma 90.963257119... |
ChangeAtomAction | cbd21a8b-535f-4cbb-a0ce-08f7d085a2db | mp-1229210 | Change the atom at index 14 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Er5Cu15O34
_chemical_formula_sum "Ba10 Er5 Cu15 O34"
_cell_length_a 8.622765
_cell_length_b 8.75698465
_cell_length_c 12.5324057
_cell_angle_alpha 106.37783221
_cell_angle_beta 98.23103807
_cell_angle_gamma 88.83387604
_space_g... | data_image0
_chemical_formula_structural Ba10Er4BrCu15O34
_chemical_formula_sum "Ba10 Er4 Br1 Cu15 O34"
_cell_length_a 8.622765
_cell_length_b 8.75698465
_cell_length_c 12.5324057
_cell_angle_alpha 106.37783221
_cell_angle_beta 98.23103807
_cell_angle_gamma 88.83387604
_s... |
ChangeAtomAction | 4fb0a084-5bd6-4012-9167-824014de4506 | mp-1324601 | Change the atom at index 4 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Zn4HgZn7Si12Ag8O48
_chemical_formula_sum "Zn11 Hg1 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.471... |
ChangeAtomAction | acb48814-d839-4d46-afbc-03dcc08fb399 | mp-1386638 | Change the atom at index 10 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P2FrPO16
_chemical_formula_sum "Na5 Cu3 P3 Fr1 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
... |
ChangeAtomAction | b9ada77e-e7cc-4907-93d3-1f0f00a4c399 | mp-849436 | Change the atom at index 11 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... | data_image0
_chemical_formula_structural Na4Fe7CfO16
_chemical_formula_sum "Na4 Fe7 Cf1 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_spac... |
ChangeAtomAction | 389d0595-98f5-40c4-aede-3e8fabe4dfe9 | mp-1238779 | 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 Rb2Cr4S8
_chemical_formula_sum "Rb2 Cr4 S8"
_cell_length_a 7.72320835
_cell_length_b 7.72320835
_cell_length_c 7.72320835
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural Rb2CrLiCr2S8
_chemical_formula_sum "Rb2 Cr3 Li1 S8"
_cell_length_a 7.72320835
_cell_length_b 7.72320835
_cell_length_c 7.72320835
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
ChangeAtomAction | aaf1f33a-2c27-4305-97b5-5788d86582b3 | mp-559435 | Change the atom at index 11 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co3F9
_chemical_formula_sum "Co3 F9"
_cell_length_a 5.29447817
_cell_length_b 5.29447914
_cell_length_c 6.484095559999999
_cell_angle_alpha 90.00003394
_cell_angle_beta 89.99998015
_cell_angle_gamma 120.00004250999999
_space_group_... | data_image0
_chemical_formula_structural Co3F8O
_chemical_formula_sum "Co3 F8 O1"
_cell_length_a 5.29447817
_cell_length_b 5.29447914
_cell_length_c 6.484095559999999
_cell_angle_alpha 90.00003394
_cell_angle_beta 89.99998015
_cell_angle_gamma 120.00004250999999
_space_gr... |
ChangeAtomAction | ef68e2bc-a09a-4863-bfc4-373978635f39 | mp-770799 | Change the atom at index 11 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li10Nb2O10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_spac... | data_image0
_chemical_formula_structural Li10NbWO10
_chemical_formula_sum "Li10 Nb1 W1 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_s... |
ChangeAtomAction | 476ff89a-d6b0-4fae-9f87-230086a17b18 | mp-850188 | Change the atom at index 8 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2V2O2F2BF5
_chemical_formula_sum "Li2 V2 O2 F7 B1"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt... |
ChangeAtomAction | b4345552-6543-4ef4-acdc-53213d3491db | mp-1046778 | Change the atom at index 20 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Y4Sn4O14
_chemical_formula_sum "Sr4 Y4 Sn4 O14"
_cell_length_a 11.91755355
_cell_length_b 11.917553550000001
_cell_length_c 11.91755355
_cell_angle_alpha 46.54074575
_cell_angle_beta 146.32237085
_cell_angle_gamma 148.83359540999... | data_image0
_chemical_formula_structural Sr4Y4Sn4O8LrO5
_chemical_formula_sum "Sr4 Y4 Sn4 O13 Lr1"
_cell_length_a 11.91755355
_cell_length_b 11.917553550000001
_cell_length_c 11.91755355
_cell_angle_alpha 46.54074575
_cell_angle_beta 146.32237085
_cell_angle_gamma 148.8335... |
ChangeAtomAction | 9a440d56-63ee-4cb7-9ce3-16c52bdffbb5 | mp-1026435 | Change the atom at index 11 into Rg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg11RgMg2TiMo
_chemical_formula_sum "Mg13 Rg1 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_nam... |
ChangeAtomAction | 6d179273-e8ef-4729-8110-1c350c3d6ebe | mp-1235662 | Change the atom at index 13 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... | data_image0
_chemical_formula_structural LiY2Fe4O6RuO
_chemical_formula_sum "Li1 Y2 Fe4 O7 Ru1"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_gr... |
ChangeAtomAction | 4d2adc13-2025-420e-b1e9-c40031be455c | mp-3956 | Change the atom at index 12 into Be in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr6U2O12
_chemical_formula_sum "Sr6 U2 O12"
_cell_length_a 6.01187075
_cell_length_b 6.24491972
_cell_length_c 8.62546066
_cell_angle_alpha 90.0
_cell_angle_beta 90.47273692
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr6U2O4BeO7
_chemical_formula_sum "Sr6 U2 O11 Be1"
_cell_length_a 6.01187075
_cell_length_b 6.24491972
_cell_length_c 8.62546066
_cell_angle_alpha 90.0
_cell_angle_beta 90.47273692
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 5cbdd4b2-ddce-44da-9c64-ff989dfa9596 | mp-1249385 | Change the atom at index 12 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Ti2AlTlO7
_chemical_formula_sum "Ba2 Ti2 Al1 Tl1 O7"
_cell_length_a 3.84082844
_cell_length_b 3.84762645
_cell_length_c 14.584079240000001
_cell_angle_alpha 93.18656865
_cell_angle_beta 93.17865177000002
_cell_angle_gamma 87.6991... | data_image0
_chemical_formula_structural Ba2Ti2AlTlO6Cl
_chemical_formula_sum "Ba2 Ti2 Al1 Tl1 O6 Cl1"
_cell_length_a 3.84082844
_cell_length_b 3.84762645
_cell_length_c 14.584079240000001
_cell_angle_alpha 93.18656865
_cell_angle_beta 93.17865177000002
_cell_angle_gamma 8... |
ChangeAtomAction | 76691dd7-8a51-458d-9319-3377b3d9bc60 | mp-1192837 | Change the atom at index 21 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al2Sb10Se10Cl8
_chemical_formula_sum "Al2 Sb10 Se10 Cl8"
_cell_length_a 9.701918
_cell_length_b 9.83934008
_cell_length_c 11.94593014
_cell_angle_alpha 104.07211943
_cell_angle_beta 110.25561751999999
_cell_angle_gamma 99.7414425
_... | data_image0
_chemical_formula_structural Al2Sb10Se9ThCl8
_chemical_formula_sum "Al2 Sb10 Se9 Th1 Cl8"
_cell_length_a 9.701918
_cell_length_b 9.83934008
_cell_length_c 11.94593014
_cell_angle_alpha 104.07211943
_cell_angle_beta 110.25561751999999
_cell_angle_gamma 99.741442... |
ChangeAtomAction | 3ee2b51d-c52b-4d39-a3e2-6982767c9e1c | mp-1035395 | Change the atom at index 26 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 Mg14VCuO10ArO5
_chemical_formula_sum "Mg14 V1 Cu1 O15 Ar1"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 5d31b9f8-2a8a-48f0-81b8-023f2e5f5177 | mp-559163 | Change the atom at index 43 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4As8O27Db
_chemical_formula_sum "K4 Fe4 As8 O27 Db1"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_spa... |
ChangeAtomAction | 7505a14b-ad52-41d3-b002-a4696be1f570 | mp-757591 | Change the atom at index 69 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.793502
_cell_length_b 9.81214705
_cell_length_c 13.9753412
_cell_angle_alpha 89.76570739
_cell_angle_beta 89.74495204
_cell_angle_gamma 60.22690322
_space_group_... | data_image0
_chemical_formula_structural Li12V6P16O35HsO22
_chemical_formula_sum "Li12 V6 P16 O57 Hs1"
_cell_length_a 9.793502
_cell_length_b 9.81214705
_cell_length_c 13.9753412
_cell_angle_alpha 89.76570739
_cell_angle_beta 89.74495204
_cell_angle_gamma 60.22690322
_spa... |
ChangeAtomAction | cbec7599-4974-4092-bac0-e7f49ed5e924 | mp-11726 | Change the atom at index 20 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni10LvNi7
_chemical_formula_sum "La2 Si8 Ni17 Lv1"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_s... |
ChangeAtomAction | 8bbe255e-fc0c-4604-907c-e4983453c5c9 | mp-540706 | Change the atom at index 9 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... | data_image0
_chemical_formula_structural Na4Nb5NeNb2O22
_chemical_formula_sum "Na4 Nb7 Ne1 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.209... |
ChangeAtomAction | 646f8358-1715-491d-bd66-eefd178fad59 | mp-1198574 | Change the atom at index 67 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4H32C12N8O24
_chemical_formula_sum "Mg4 H32 C12 N8 O24"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4H32C12N8O11CdO12
_chemical_formula_sum "Mg4 H32 C12 N8 O23 Cd1"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | a95b59f0-fc90-45e5-8308-8e2ec49688be | mp-1028135 | Change the atom at index 2 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaMg14Bi
_chemical_formula_sum "Ca1 Mg14 Bi1"
_cell_length_a 6.57699513
_cell_length_b 6.40011836
_cell_length_c 10.55966491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.11430116
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CaMgRbMg12Bi
_chemical_formula_sum "Ca1 Mg13 Rb1 Bi1"
_cell_length_a 6.57699513
_cell_length_b 6.40011836
_cell_length_c 10.55966491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.11430116
_space_group_name_H-M_... |
ChangeAtomAction | 3dba90ea-2faf-4bb0-9c02-a108b4727228 | mp-1210644 | Change the atom at index 6 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd2Hf2O28
_chemical_formula_sum "Nd2 Hf2 O28"
_cell_length_a 7.62017441
_cell_length_b 7.620174410000001
_cell_length_c 7.62017441
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Nd2Hf2O2InO25
_chemical_formula_sum "Nd2 Hf2 O27 In1"
_cell_length_a 7.62017441
_cell_length_b 7.620174410000001
_cell_length_c 7.62017441
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... |
ChangeAtomAction | 3565754e-b690-416f-baa5-2c4a0064a1ab | mp-1219537 | Change the atom at index 23 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc3Ga16Fe20
_chemical_formula_sum "Sc3 Ga16 Fe20"
_cell_length_a 5.013486
_cell_length_b 6.50179875
_cell_length_c 18.24321775
_cell_angle_alpha 93.86234432
_cell_angle_beta 82.10218078
_cell_angle_gamma 112.67764555
_space_group_n... | data_image0
_chemical_formula_structural Sc3Ga16Fe4CsFe15
_chemical_formula_sum "Sc3 Ga16 Fe19 Cs1"
_cell_length_a 5.013486
_cell_length_b 6.50179875
_cell_length_c 18.24321775
_cell_angle_alpha 93.86234432
_cell_angle_beta 82.10218078
_cell_angle_gamma 112.67764555
_spac... |
ChangeAtomAction | d4beef4d-7cd5-4484-b163-3ab032cf5bc3 | mp-1229180 | Change the atom at index 2 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag2EsAg5Sb5As3S16
_chemical_formula_sum "Ag7 Es1 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_spac... |
ChangeAtomAction | 565ad72f-a5a7-463b-b38f-0b1cc067764f | mp-1177387 | Change the atom at index 87 into Md 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 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... | data_image0
_chemical_formula_structural Li8V6P16O57Md
_chemical_formula_sum "Li8 V6 P16 O57 Md1"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_s... |
ChangeAtomAction | bcb44192-8b44-4314-81f6-56acd8fad133 | mp-2236954 | Change the atom at index 6 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_space_gro... | data_image0
_chemical_formula_structural Co6FrO5F6
_chemical_formula_sum "Co6 Fr1 O5 F6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_spa... |
ChangeAtomAction | c35c9c29-6c4e-4a76-8051-38a6cddebfa7 | mp-685100 | Change the atom at index 28 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... | data_image0
_chemical_formula_structural Cu14I14AuI4
_chemical_formula_sum "Cu14 I18 Au1"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_... |
ChangeAtomAction | 128df086-dbb1-4e6d-8cb1-94a68a362b5d | mp-1110589 | Change the atom at index 0 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2IrAuF6
_chemical_formula_sum "Rb2 Ir1 Au1 F6"
_cell_length_a 6.35201375
_cell_length_b 6.35201375
_cell_length_c 6.35201375
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural PRbIrAuF6
_chemical_formula_sum "P1 Rb1 Ir1 Au1 F6"
_cell_length_a 6.35201375
_cell_length_b 6.35201375
_cell_length_c 6.35201375
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
ChangeAtomAction | e61c58ce-7192-42be-b247-53a29a39995c | mp-677864 | Change the atom at index 0 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Sn4P6O24
_chemical_formula_sum "Li2 Sn4 P6 O24"
_cell_length_a 8.55016
_cell_length_b 8.564034920000001
_cell_length_c 9.02612182
_cell_angle_alpha 118.0423152
_cell_angle_beta 90.30425657999999
_cell_angle_gamma 119.49173264
_s... | data_image0
_chemical_formula_structural DbLiSn4P6O24
_chemical_formula_sum "Db1 Li1 Sn4 P6 O24"
_cell_length_a 8.55016
_cell_length_b 8.564034920000001
_cell_length_c 9.02612182
_cell_angle_alpha 118.0423152
_cell_angle_beta 90.30425657999999
_cell_angle_gamma 119.4917326... |
ChangeAtomAction | 7844efa2-c7f6-4965-a91d-3db374ac2833 | mp-1379435 | Change the atom at index 2 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... | data_image0
_chemical_formula_structural Li2PrLi2Ni5O10
_chemical_formula_sum "Li4 Pr1 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_gr... |
ChangeAtomAction | a3604615-59fa-4c8c-b4b3-764bad07f4c9 | mp-1213576 | Change the atom at index 35 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S11FS14N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S25 F1 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_a... |
ChangeAtomAction | 9c243eb0-c2fd-4cbb-849f-bc50d444c48c | mp-754454 | Change the atom at index 1 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... | data_image0
_chemical_formula_structural CdTcAg4O8
_chemical_formula_sum "Cd1 Tc1 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_... |
ChangeAtomAction | 2f287469-a23c-4197-b061-ef79c3d7fde1 | mp-698292 | Change the atom at index 37 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2ZrCdH16C8O24
_chemical_formula_sum "K2 Zr1 Cd1 H16 C8 O24"
_cell_length_a 9.23941705
_cell_length_b 9.23941705
_cell_length_c 9.23941705
_cell_angle_alpha 103.72416908000001
_cell_angle_beta 103.72416908000001
_cell_angle_gamma 12... | data_image0
_chemical_formula_structural K2ZrCdH16C8O9ReO14
_chemical_formula_sum "K2 Zr1 Cd1 H16 C8 O23 Re1"
_cell_length_a 9.23941705
_cell_length_b 9.23941705
_cell_length_c 9.23941705
_cell_angle_alpha 103.72416908000001
_cell_angle_beta 103.72416908000001
_cell_angle_gam... |
ChangeAtomAction | c84c1b19-75e0-47ba-8102-ac8343b3c9e5 | mp-755682 | Change the atom at index 12 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe2O6F2
_chemical_formula_sum "Li8 Fe2 O6 F2"
_cell_length_a 5.172149
_cell_length_b 5.2195528
_cell_length_c 8.072422239999998
_cell_angle_alpha 71.25930733000001
_cell_angle_beta 82.89881488999998
_cell_angle_gamma 69.88323606
... | data_image0
_chemical_formula_structural Li8Fe2O2SrO3F2
_chemical_formula_sum "Li8 Fe2 O5 Sr1 F2"
_cell_length_a 5.172149
_cell_length_b 5.2195528
_cell_length_c 8.072422239999998
_cell_angle_alpha 71.25930733000001
_cell_angle_beta 82.89881488999998
_cell_angle_gamma 69.8... |
ChangeAtomAction | d4e05e25-b845-4135-b01f-9c8d2257eb3a | mp-761155 | Change the atom at index 7 into Gd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Co3Ni3W2O16
_chemical_formula_sum "Li4 Co3 Ni3 W2 O16"
_cell_length_a 5.92442302
_cell_length_b 5.92442302
_cell_length_c 9.743585339999997
_cell_angle_alpha 89.6495781
_cell_angle_beta 89.6495781
_cell_angle_gamma 60.14856860999... | data_image0
_chemical_formula_structural Li4Co3GdNi2W2O16
_chemical_formula_sum "Li4 Co3 Gd1 Ni2 W2 O16"
_cell_length_a 5.92442302
_cell_length_b 5.92442302
_cell_length_c 9.743585339999997
_cell_angle_alpha 89.6495781
_cell_angle_beta 89.6495781
_cell_angle_gamma 60.14856... |
ChangeAtomAction | 89fc6f94-d19a-462d-ba52-a272e0d95e86 | mp-1034797 | Change the atom at index 13 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg11BkMg2O15
_chemical_formula_sum "Rb1 Na1 Mg13 Bk1 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 2f0abd94-e89e-4a98-9d57-58b1c22fb886 | mp-1033833 | Change the atom at index 0 into Eu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural EuRbMg6O7
_chemical_formula_sum "Eu1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... |
ChangeAtomAction | b47faf29-161d-41e5-9634-2f41ef5ca031 | mp-30794 | Change the atom at index 22 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na30Sn8
_chemical_formula_sum "Na30 Sn8"
_cell_length_a 11.2804714
_cell_length_b 11.28047127
_cell_length_c 11.28047112
_cell_angle_alpha 109.47121859
_cell_angle_beta 109.47121835
_cell_angle_gamma 109.47122315000001
_space_group... | data_image0
_chemical_formula_structural Na22DbNa7Sn8
_chemical_formula_sum "Na29 Db1 Sn8"
_cell_length_a 11.2804714
_cell_length_b 11.28047127
_cell_length_c 11.28047112
_cell_angle_alpha 109.47121859
_cell_angle_beta 109.47121835
_cell_angle_gamma 109.47122315000001
_sp... |
ChangeAtomAction | 0dc71393-3590-4569-a5f8-7c2394daf1a1 | mp-2219347 | Change the atom at index 9 into H in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... | data_image0
_chemical_formula_structural MgTe4Mo2W2HS3
_chemical_formula_sum "Mg1 Te4 Mo2 W2 H1 S3"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.99544402... |
ChangeAtomAction | 5d52d5d8-cd21-4523-ad9f-348a6357d6e9 | mp-1033378 | Change the atom at index 12 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_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 Mg6CrBiO4AlO3
_chemical_formula_sum "Mg6 Cr1 Bi1 O7 Al1"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | e22048e0-a904-4f25-8770-43e1bf041c4d | mp-706430 | Change the atom at index 18 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H12N4O16
_chemical_formula_sum "H12 N4 O16"
_cell_length_a 6.168374
_cell_length_b 6.302972
_cell_length_c 9.270461
_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 H12N4O2LrO13
_chemical_formula_sum "H12 N4 O15 Lr1"
_cell_length_a 6.168374
_cell_length_b 6.302972
_cell_length_c 9.270461
_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 | 8fb7f69c-143c-4d29-81df-a97f5fa15a51 | mp-1213717 | Change the atom at index 5 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs8Sb4F20
_chemical_formula_sum "Cs8 Sb4 F20"
_cell_length_a 6.7017
_cell_length_b 8.5046
_cell_length_c 13.056831
_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 Cs5KrCs2Sb4F20
_chemical_formula_sum "Cs7 Kr1 Sb4 F20"
_cell_length_a 6.7017
_cell_length_b 8.5046
_cell_length_c 13.056831
_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 | eb0205b6-7fe3-4abf-837b-ec6710323928 | mp-1227514 | Change the atom at index 23 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4Ge2O13P
_chemical_formula_sum "Ca4 Ga4 Ge2 O13 P1"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | dd95b80d-24d5-47a7-bb35-7a81658b37bb | mp-780049 | Change the atom at index 32 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu2Ta14O38
_chemical_formula_sum "Lu2 Ta14 O38"
_cell_length_a 6.24806164
_cell_length_b 6.2480616399999995
_cell_length_c 20.039688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999617999998
_space_group_nam... | data_image0
_chemical_formula_structural Lu2Ta14O16ZrO21
_chemical_formula_sum "Lu2 Ta14 O37 Zr1"
_cell_length_a 6.24806164
_cell_length_b 6.2480616399999995
_cell_length_c 20.039688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999617999998
_space_... |
ChangeAtomAction | 55d6a518-815b-4b78-b6fc-03fe7eb14a49 | mp-13514 | Change the atom at index 16 into Ra in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... | data_image0
_chemical_formula_structural Nd4B4O8RaO3
_chemical_formula_sum "Nd4 B4 O11 Ra1"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
... |
ChangeAtomAction | 022fb18c-1e49-4624-97f3-ce891dce66be | mp-735530 | Change the atom at index 30 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Fe3P6HO22
_chemical_formula_sum "Ba2 Fe3 P6 H1 O22"
_cell_length_a 4.919701
_cell_length_b 8.00249343
_cell_length_c 11.42330261
_cell_angle_alpha 89.27073239
_cell_angle_beta 89.2849342
_cell_angle_gamma 87.13515349000001
_spac... | data_image0
_chemical_formula_structural Ba2Fe3P6HO18BaO3
_chemical_formula_sum "Ba3 Fe3 P6 H1 O21"
_cell_length_a 4.919701
_cell_length_b 8.00249343
_cell_length_c 11.42330261
_cell_angle_alpha 89.27073239
_cell_angle_beta 89.2849342
_cell_angle_gamma 87.13515349000001
_... |
ChangeAtomAction | 72e609ae-e409-47ec-90ed-d9783bcbcd88 | mp-559593 | Change the atom at index 27 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15NpF5
_chemical_formula_sum "P3 S9 N15 Np1 F5"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470... |
ChangeAtomAction | 808e781c-a5a1-4060-a00a-285daaf4fbea | mp-555541 | Change the atom at index 0 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4C4N8O16
_chemical_formula_sum "K4 C4 N8 O16"
_cell_length_a 7.67341916
_cell_length_b 7.67341916
_cell_length_c 9.15047742
_cell_angle_alpha 75.97483683
_cell_angle_beta 75.97483683
_cell_angle_gamma 61.05566727000001
_space_grou... | data_image0
_chemical_formula_structural CdK3C4N8O16
_chemical_formula_sum "Cd1 K3 C4 N8 O16"
_cell_length_a 7.67341916
_cell_length_b 7.67341916
_cell_length_c 9.15047742
_cell_angle_alpha 75.97483683
_cell_angle_beta 75.97483683
_cell_angle_gamma 61.05566727000001
_spac... |
ChangeAtomAction | d9fc2fdf-778a-42f1-b8f7-28f31e7b4092 | mp-1044010 | Change the atom at index 14 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn4Sn4Bi4O20
_chemical_formula_sum "Zn4 Sn4 Bi4 O20"
_cell_length_a 11.157864
_cell_length_b 5.332821
_cell_length_c 8.81112013
_cell_angle_alpha 73.00569277999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Zn4Sn4Bi4O2CoO17
_chemical_formula_sum "Zn4 Sn4 Bi4 O19 Co1"
_cell_length_a 11.157864
_cell_length_b 5.332821
_cell_length_c 8.81112013
_cell_angle_alpha 73.00569277999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
ChangeAtomAction | 0157db21-de90-4bab-b38d-d8c63b07b99e | mp-705551 | Change the atom at index 15 into La in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... | data_image0
_chemical_formula_structural Fe15LaO15
_chemical_formula_sum "Fe15 La1 O15"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_... |
ChangeAtomAction | 87ce8b8d-6107-48ef-965d-cbd874cd6369 | mp-4770 | Change the atom at index 8 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4S2O8
_chemical_formula_sum "Na4 S2 O8"
_cell_length_a 5.65505031
_cell_length_b 5.65504963
_cell_length_c 6.76083777
_cell_angle_alpha 102.80605339
_cell_angle_beta 102.80604188
_cell_angle_gamma 118.03516548
_space_group_name_H... | data_image0
_chemical_formula_structural Na4S2O2NbO5
_chemical_formula_sum "Na4 S2 O7 Nb1"
_cell_length_a 5.65505031
_cell_length_b 5.65504963
_cell_length_c 6.76083777
_cell_angle_alpha 102.80605339
_cell_angle_beta 102.80604188
_cell_angle_gamma 118.03516548
_space_grou... |
ChangeAtomAction | c9287146-9b4a-4e04-bfe4-137903090bc5 | mp-1207356 | Change the atom at index 5 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbTm3O6
_chemical_formula_sum "Rb1 Tm3 O6"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural RbTm3OIO4
_chemical_formula_sum "Rb1 Tm3 O5 I1"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "... |
ChangeAtomAction | d557206b-c83e-40b8-a765-baf03c742be5 | mp-22290 | Change the atom at index 0 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6Si7Ni16
_chemical_formula_sum "Mn6 Si7 Ni16"
_cell_length_a 7.80082259
_cell_length_b 7.800822819999999
_cell_length_c 7.80082177
_cell_angle_alpha 60.00417865
_cell_angle_beta 60.00417477999999
_cell_angle_gamma 60.0041852199999... | data_image0
_chemical_formula_structural ZrMn5Si7Ni16
_chemical_formula_sum "Zr1 Mn5 Si7 Ni16"
_cell_length_a 7.80082259
_cell_length_b 7.800822819999999
_cell_length_c 7.80082177
_cell_angle_alpha 60.00417865
_cell_angle_beta 60.00417477999999
_cell_angle_gamma 60.0041852... |
ChangeAtomAction | 0a04e0bc-aa43-4957-adbd-394387c980fc | mp-1304002 | Change the atom at index 1 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural LiMgLi6Ni6Bi2O16
_chemical_formula_sum "Li7 Mg1 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.187739... |
ChangeAtomAction | 8b30ecce-ebea-4d16-a3e2-c4bc9cafb9f2 | mp-1520897 | Change the atom at index 1 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural SrNoCrBiO6
_chemical_formula_sum "Sr1 No1 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
ChangeAtomAction | 1e694679-5c5b-432f-b678-b2993e399f29 | mp-1035887 | Change the atom at index 4 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg14WO16
_chemical_formula_sum "K1 Mg14 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 KMg3ReMg10WO16
_chemical_formula_sum "K1 Mg13 Re1 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 067e9663-b36e-4c91-8e59-c0a48a4aadbf | mp-1208371 | Change the atom at index 27 into Pu 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 Tl4N8Cl15PuCl4O4
_chemical_formula_sum "Tl4 N8 Cl19 Pu1 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 | 15b2140b-1b44-413a-b663-ba4205c68548 | mp-1237973 | Change the atom at index 8 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y2Mg2S6
_chemical_formula_sum "Y2 Mg2 S6"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_nam... | data_image0
_chemical_formula_structural Y2Mg2S4ZnS
_chemical_formula_sum "Y2 Mg2 S5 Zn1"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_gr... |
ChangeAtomAction | 5c39b416-829f-4b3d-8e05-4423c46c9d84 | mp-570610 | Change the atom at index 10 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cd10SgCd2I26
_chemical_formula_sum "Cd12 Sg1 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt ... |
ChangeAtomAction | 99320693-a203-426e-ad57-6fc4deb9df57 | mp-560404 | Change the atom at index 9 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... | data_image0
_chemical_formula_structural In4H4SeLvSe2O16
_chemical_formula_sum "In4 H4 Se3 Lv1 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_... |
ChangeAtomAction | d204dec0-58ad-4677-8f7f-f4f43cc2c090 | mp-728419 | Change the atom at index 10 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd4C28S12N16
_chemical_formula_sum "Cd4 C28 S12 N16"
_cell_length_a 9.557018
_cell_length_b 10.760586
_cell_length_c 14.051301
_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 Cd4C6IrC21S12N16
_chemical_formula_sum "Cd4 C27 Ir1 S12 N16"
_cell_length_a 9.557018
_cell_length_b 10.760586
_cell_length_c 14.051301
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 7b37c256-cee5-430f-89b7-eb1f0e5fc04d | mp-754801 | Change the atom at index 1 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural LiTcLiTi6O13
_chemical_formula_sum "Li2 Tc1 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_spa... |
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