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 |
|---|---|---|---|---|---|
SwapAtomsAction | 6f199e62-d55b-44df-b920-5a6f2bafb80b | mp-774237 | Swap the spatial positions of atoms at indices 11 and 15 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 Li5Cr2Ni4O4NiO8
_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 121.29044... |
SwapAtomsAction | 1b0b1952-b999-4c21-842f-d4d13ac4dfca | mp-2207630 | Swap the spatial positions of atoms at indices 10 and 18 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 Rb8La2FLaF6LaF13
_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... |
SwapAtomsAction | e50c1c56-0098-48cd-9189-908d413e834b | mp-562662 | Swap the spatial positions of atoms at indices 34 and 2 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 Ba2OBa5Co4C8O14BaO9F8
_chemical_formula_sum "Ba8 O24 Co4 C8 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 ... |
SwapAtomsAction | 5ddf6a8b-e731-473e-8bde-7854bc809f88 | mp-755978 | Swap the spatial positions of atoms at indices 14 and 7 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 Ni6OF7OF3
_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_... |
SwapAtomsAction | 48f02f92-484a-451f-ab87-8af19e6917e5 | mp-21683 | Swap the spatial positions of atoms at indices 0 and 4 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 NiInNi2InNi18P6
_chemical_formula_sum "Ni21 In2 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
... |
SwapAtomsAction | 00b6006a-4ed0-4918-8889-0d64662277c0 | mp-1211033 | Swap the spatial positions of atoms at indices 6 and 15 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 Lu6FeLu5In2FeLuFe
_chemical_formula_sum "Lu12 Fe3 In2"
_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
... |
SwapAtomsAction | 599337bd-fdb3-4035-8f91-110ded561cfb | mp-1205446 | Swap the spatial positions of atoms at indices 22 and 44 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 Hg22OHg9Br12HgO15
_chemical_formula_sum "Hg32 O16 Br12"
_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... |
SwapAtomsAction | 89d4b51f-1f99-4fca-9423-4e5a768f2018 | mp-1038443 | Swap the spatial positions of atoms at indices 18 and 55 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 HfMg17OMg12CdO23MgO8
_chemical_formula_sum "Hf1 Mg30 O32 Cd1"
_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 ... |
SwapAtomsAction | f98be558-60e2-49ff-8a10-c7df31805178 | mp-1029771 | Swap the spatial positions of atoms at indices 5 and 8 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 Ca5ReCa3Re3N12
_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... |
SwapAtomsAction | 22a4de17-0a88-417c-9b41-f314ef140a44 | mp-1215346 | Swap the spatial positions of atoms at indices 0 and 5 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 AlZr3AlZrAl2Cr4
_chemical_formula_sum "Al4 Zr4 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... |
SwapAtomsAction | d0e35d5a-5b58-4cda-9d8c-5fcb5e2de852 | mp-1176871 | Swap the spatial positions of atoms at indices 31 and 65 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 Li14V6P11OP4O29PO28
_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 59.94911286... |
SwapAtomsAction | 68ad5a15-d07d-4ed0-b2d4-f77bf7742c55 | mp-775016 | Swap the spatial positions of atoms at indices 5 and 0 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 PMnCr2PMnP2O16
_chemical_formula_sum "P4 Mn2 Cr2 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... |
SwapAtomsAction | 9e983de3-0631-47e0-a541-73cef674c6cf | mp-1320145 | Swap the spatial positions of atoms at indices 10 and 6 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 Li2Fe2Mo2OClO2ClO5
_chemical_formula_sum "Li2 Fe2 Mo2 O8 Cl2"
_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
_s... |
SwapAtomsAction | 09a3fdac-1589-480f-97ab-a797ab09bf28 | mp-1106114 | Swap the spatial positions of atoms at indices 6 and 2 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 Rb2NdRb4NdN12
_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 90.963257119999... |
SwapAtomsAction | 01715602-b1ac-45af-8c84-cba187d64902 | mp-1229210 | Swap the spatial positions of atoms at indices 54 and 26 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 Ba10Er5Cu11OCu3O24CuO9
_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
... |
SwapAtomsAction | 63d9a5c8-1a37-4301-a334-2d8c26f90a75 | mp-1324601 | Swap the spatial positions of atoms at indices 30 and 1 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 ZnAgZn10Si12Ag6ZnAgO48
_chemical_formula_sum "Zn12 Ag8 Si12 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... |
SwapAtomsAction | 2d7ee478-89b8-4fb9-a77e-263aac854b4e | mp-1386638 | Swap the spatial positions of atoms at indices 6 and 23 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 Na5CuOCuP4O11CuO4
_chemical_formula_sum "Na5 Cu3 O16 P4"
_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
_... |
SwapAtomsAction | 9d520f7b-e3a8-46ef-aee9-d9e8f40ac425 | mp-849436 | Swap the spatial positions of atoms at indices 18 and 9 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 Na4Fe5OFe2O6FeO9
_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
_spa... |
SwapAtomsAction | 444fa2ca-7171-4f83-a6bb-a021b0326a24 | mp-1238779 | Swap the spatial positions of atoms at indices 4 and 11 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 Rb2Cr2SCrS5CrS2
_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 59.99999999999... |
SwapAtomsAction | 14695ed0-80f9-4325-b62a-299ae6f8ed9c | mp-559435 | Swap the spatial positions of atoms at indices 2 and 9 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 Co2F7CoF2
_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_gr... |
SwapAtomsAction | 3f32444e-2c76-4f66-9fad-6fea5364dd3a | mp-770799 | Swap the spatial positions of atoms at indices 1 and 20 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 LiOLi8Nb2O8LiO
_chemical_formula_sum "Li10 O10 Nb2"
_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
_... |
SwapAtomsAction | 48f8c788-ee09-46d7-842b-7c23d0f1f48b | mp-850188 | Swap the spatial positions of atoms at indices 5 and 7 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 Li2V2OF2OF6
_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 ... |
SwapAtomsAction | b0585dea-4f46-4492-8763-8de70023defd | mp-1046778 | Swap the spatial positions of atoms at indices 10 and 5 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 Sr4YSnY2Sn2YSnO14
_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 148.83359... |
SwapAtomsAction | e715e858-959d-4e4b-a43a-90978b280bcd | mp-1026435 | Swap the spatial positions of atoms at indices 14 and 10 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 Mg10TiMg4Mo
_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_... |
SwapAtomsAction | e990a172-92d0-40c7-badf-1b1a6b9a1a6c | mp-1235662 | Swap the spatial positions of atoms at indices 10 and 3 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 LiY2OFe3O3FeO4
_chemical_formula_sum "Li1 Y2 O8 Fe4"
_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_grou... |
SwapAtomsAction | f3a2377d-c5a1-4def-ad95-ebcfca9ffb7c | mp-3956 | Swap the spatial positions of atoms at indices 19 and 3 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 Sr3OSr2U2O11Sr
_chemical_formula_sum "Sr6 O12 U2"
_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 ... |
SwapAtomsAction | fdb04157-da28-4d4c-9051-df3127bfb52d | mp-1249385 | Swap the spatial positions of atoms at indices 2 and 0 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 TiBa2TiAlTlO7
_chemical_formula_sum "Ti2 Ba2 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 87.699... |
SwapAtomsAction | 0658f9c7-af47-4f1d-9568-d33fd040268e | mp-1192837 | Swap the spatial positions of atoms at indices 15 and 5 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 Al2Sb3SeSb6Se3SbSe6Cl8
_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 99.74... |
SwapAtomsAction | e57b775d-b6a8-4e81-b1bf-b1ce5d5fb6d0 | mp-1035395 | Swap the spatial positions of atoms at indices 3 and 23 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 Mg3OMg10VCuO7MgO8
_chemical_formula_sum "Mg14 O16 V1 Cu1"
_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"... |
SwapAtomsAction | 254c13e5-f2f7-47c6-9d61-f4c22c10736a | mp-559163 | Swap the spatial positions of atoms at indices 7 and 36 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 K4Fe3OAs8O20FeO7
_chemical_formula_sum "K4 Fe4 O28 As8"
_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
_spac... |
SwapAtomsAction | 1b0958cf-8b2a-4529-ac3e-9a0171f029aa | mp-757591 | Swap the spatial positions of atoms at indices 6 and 80 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 Li6OLi5V6P16O46LiO11
_chemical_formula_sum "Li12 O58 V6 P16"
_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
_spac... |
SwapAtomsAction | 3d315b7d-1810-4340-8d19-d296f2a5e583 | mp-11726 | Swap the spatial positions of atoms at indices 25 and 3 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 La2SiNiSi6Ni15SiNi2
_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
_s... |
SwapAtomsAction | 53ccd646-4087-416a-979c-bf6f0d9bd686 | mp-540706 | Swap the spatial positions of atoms at indices 5 and 3 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 Na3Nb2NaNb6O22
_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 28.2092797... |
SwapAtomsAction | d83aa43d-daad-4ea5-a8b8-6844ae06d79c | mp-1198574 | Swap the spatial positions of atoms at indices 14 and 79 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 Mg4H10OH21C12N8O23H
_chemical_formula_sum "Mg4 H32 O24 C12 N8"
_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... |
SwapAtomsAction | 80a3ccbb-3f0a-4ad8-8e65-aa3817b0852e | mp-1028135 | Swap the spatial positions of atoms at indices 0 and 15 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 BiMg14Ca
_chemical_formula_sum "Bi1 Mg14 Ca1"
_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 "... |
SwapAtomsAction | 2959202f-052c-4cc3-afc8-0a8bd4b0d681 | mp-1210644 | Swap the spatial positions of atoms at indices 1 and 18 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 NdOHf2O14NdO13
_chemical_formula_sum "Nd2 O28 Hf2"
_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 59.9999... |
SwapAtomsAction | 9e7d80cf-9490-4cc2-b58e-275c282184e7 | mp-1219537 | Swap the spatial positions of atoms at indices 9 and 0 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 GaSc2Ga6ScGa9Fe20
_chemical_formula_sum "Ga16 Sc3 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_g... |
SwapAtomsAction | 9a2b5d15-d1e8-4c73-b35c-e583db34419b | mp-1229180 | Swap the spatial positions of atoms at indices 4 and 21 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 Ag4SAg3Sb5As3S5AgS10
_chemical_formula_sum "Ag8 S16 Sb5 As3"
_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... |
SwapAtomsAction | 6fa223a2-ccfd-477d-b092-b15fa66ec90e | mp-1177387 | Swap the spatial positions of atoms at indices 16 and 63 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 Li8V6P2OP13O33PO24
_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
_... |
SwapAtomsAction | 9969cec0-d098-421a-99ab-08c44e5b0915 | mp-2236954 | Swap the spatial positions of atoms at indices 2 and 12 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 Co2FCo3O6CoF5
_chemical_formula_sum "Co6 F6 O6"
_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... |
SwapAtomsAction | ce56ff76-ab61-4ae2-9f3e-32e44ddb31aa | mp-685100 | Swap the spatial positions of atoms at indices 10 and 28 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 Cu10ICu3I14CuI4
_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
_... |
SwapAtomsAction | 679bb606-1150-42ee-936a-606551d37d69 | mp-1110589 | Swap the spatial positions of atoms at indices 3 and 0 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 AuRbIrRbF6
_chemical_formula_sum "Au1 Rb2 Ir1 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 59.999999999999... |
SwapAtomsAction | 4bbbee97-afa9-4fec-94b8-2e81a1d95717 | mp-677864 | Swap the spatial positions of atoms at indices 2 and 35 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 Li2OSn3P6O23Sn
_chemical_formula_sum "Li2 O24 Sn4 P6"
_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
... |
SwapAtomsAction | 778a4cd5-aafb-4bd2-9a93-f16035a9fbbe | mp-1379435 | Swap the spatial positions of atoms at indices 3 and 10 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 Li3OLiNi5LiO9
_chemical_formula_sum "Li5 O10 Ni5"
_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_n... |
SwapAtomsAction | c5f50304-3fda-491b-9b0c-bd52f9e0c605 | mp-1213576 | Swap the spatial positions of atoms at indices 20 and 13 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 Cu13SbCu2Ni2Sb2CuSb3S26N12
_chemical_formula_sum "Cu16 Sb6 Ni2 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
_cel... |
SwapAtomsAction | 6f10dc16-ec74-4db3-95a4-f6948a8cfc8f | mp-754454 | Swap the spatial positions of atoms at indices 4 and 11 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 Cd2Ag2OAgO5AgO2
_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_grou... |
SwapAtomsAction | 60a784ca-39ff-415d-b31f-b677cfb5b42d | mp-698292 | Swap the spatial positions of atoms at indices 38 and 13 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 K2ZrCdH9OH6C8O10HO13
_chemical_formula_sum "K2 Zr1 Cd1 H16 O24 C8"
_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... |
SwapAtomsAction | 4087e17c-535d-4206-bf13-2d50a2b62b8c | mp-755682 | Swap the spatial positions of atoms at indices 17 and 4 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 Li4FLi3Fe2O6FLi
_chemical_formula_sum "Li8 F2 Fe2 O6"
_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 69.8832... |
SwapAtomsAction | 1201d469-7ebf-4764-a130-45b84a191e50 | mp-761155 | Swap the spatial positions of atoms at indices 10 and 8 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 Li4Co3NiWNi2WO16
_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 60.148568609... |
SwapAtomsAction | 7d9bbeec-8205-493e-8f77-e1a2c5c4a5b3 | mp-1034797 | Swap the spatial positions of atoms at indices 26 and 13 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 RbNaMg11OMg2O10MgO4
_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 ... |
SwapAtomsAction | e34cd03a-c5e5-4ddc-8320-78850e253975 | mp-1033833 | Swap the spatial positions of atoms at indices 13 and 5 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 CsRbMg3OMg2O5MgO
_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_g... |
SwapAtomsAction | 299494b6-a7d4-47aa-b8ad-df5495b52358 | mp-30794 | Swap the spatial positions of atoms at indices 35 and 23 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 Na23SnNa6Sn5NaSn2
_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
_s... |
SwapAtomsAction | 76079b42-9143-440d-b8a3-e969b73902f0 | mp-2219347 | Swap the spatial positions of atoms at indices 7 and 6 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 MgTe4MoWMoWS4
_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 119.99544402000... |
SwapAtomsAction | fb9bbfd5-40d0-494f-8422-f2b2e12276c6 | mp-1033378 | Swap the spatial positions of atoms at indices 6 and 14 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 Mg6OBiO6CrO
_chemical_formula_sum "Mg6 O8 Bi1 Cr1"
_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"... |
SwapAtomsAction | 0dae3c77-60fc-4101-93c8-d56a12ddbfa0 | mp-706430 | Swap the spatial positions of atoms at indices 23 and 5 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 H5OH6N4O7HO8
_chemical_formula_sum "H12 O16 N4"
_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_g... |
SwapAtomsAction | aac54572-b091-416d-82c9-85914bd9eb3d | mp-1213717 | Swap the spatial positions of atoms at indices 5 and 16 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 Cs5FCs2Sb4F4CsF15
_chemical_formula_sum "Cs8 F20 Sb4"
_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"
_spac... |
SwapAtomsAction | e43aaf5f-03b9-4263-8d5d-82cccdca98ab | mp-1227514 | Swap the spatial positions of atoms at indices 5 and 3 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 Ca3Ga2CaGa2Ge2O14
_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... |
SwapAtomsAction | a9f659b0-0548-4f73-a67b-378e8630f680 | mp-780049 | Swap the spatial positions of atoms at indices 0 and 52 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 OLuTa14O36LuO
_chemical_formula_sum "O38 Lu2 Ta14"
_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_... |
SwapAtomsAction | 35fbc2a9-e247-4b3b-be94-8d99bd0849c9 | mp-13514 | Swap the spatial positions of atoms at indices 7 and 16 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 Nd4B3O9BO3
_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
_spa... |
SwapAtomsAction | 93dc9255-b572-4b29-8cf1-23904249ae30 | mp-735530 | Swap the spatial positions of atoms at indices 27 and 2 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 Ba2OFe2P6HO15FeO6
_chemical_formula_sum "Ba2 O22 Fe3 P6 H1"
_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
... |
SwapAtomsAction | d5c940dd-7c9d-4e15-80c0-f8466908b888 | mp-559593 | Swap the spatial positions of atoms at indices 28 and 3 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 P3FS8N15FSF4
_chemical_formula_sum "P3 F6 S9 N15"
_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 117.55470631... |
SwapAtomsAction | 65878e0e-c4d0-4ebf-b9e9-df48a5e372fa | mp-555541 | Swap the spatial positions of atoms at indices 11 and 6 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 K4C2NCN3CN4O16
_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... |
SwapAtomsAction | 5540a84e-de5e-45bf-a693-4cd26214d785 | mp-1044010 | Swap the spatial positions of atoms at indices 11 and 13 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 Zn4Sn4Bi3O2BiO18
_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_... |
SwapAtomsAction | ee906c36-f161-4098-a604-7dbc1ea11469 | mp-705551 | Swap the spatial positions of atoms at indices 3 and 18 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 Fe3OFe11O3FeO12
_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_grou... |
SwapAtomsAction | 2811b9cf-f9e6-48c9-bca8-386595e624d2 | mp-4770 | Swap the spatial positions of atoms at indices 10 and 4 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 Na4OSO4SO3
_chemical_formula_sum "Na4 O8 S2"
_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_nam... |
SwapAtomsAction | b393bd61-f06d-4066-be0f-2016ad23a43f | mp-1207356 | Swap the spatial positions of atoms at indices 6 and 3 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 RbTm2O3TmO3
_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... |
SwapAtomsAction | 24eb27d3-2de1-44ec-bbca-926b3e7413d6 | mp-22290 | Swap the spatial positions of atoms at indices 2 and 28 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 Mn2NiMn3Si7Ni15Mn
_chemical_formula_sum "Mn6 Ni16 Si7"
_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 60.004185... |
SwapAtomsAction | a7eeefa7-44d2-43a2-92bd-8a475ba0c52f | mp-1304002 | Swap the spatial positions of atoms at indices 19 and 9 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 Li8NiONi4Bi2O3NiO12
_chemical_formula_sum "Li8 Ni6 O16 Bi2"
_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... |
SwapAtomsAction | 9330eeb7-a63b-439a-ae23-6caa545b537c | mp-1520897 | Swap the spatial positions of atoms at indices 7 and 0 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 OSrCrBiO3SrO2
_chemical_formula_sum "O6 Sr2 Cr1 Bi1"
_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 59.999999999... |
SwapAtomsAction | 2c4a81d0-c1fa-4eca-ba60-03e98a9a0550 | mp-1035887 | Swap the spatial positions of atoms at indices 10 and 22 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 KMg9OMg4WO6MgO9
_chemical_formula_sum "K1 Mg14 O16 W1"
_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"
_... |
SwapAtomsAction | 2d89f4b2-796c-4fe2-8547-71756536ed2a | mp-1208371 | Swap the spatial positions of atoms at indices 32 and 27 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 Tl4N8Cl15OCl5O3
_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"... |
SwapAtomsAction | a0ab5af6-e627-4437-9891-143fe23d2449 | mp-1237973 | Swap the spatial positions of atoms at indices 3 and 9 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 Y2MgS6Mg
_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_na... |
SwapAtomsAction | 37519f76-410e-4f61-b48a-ed82e46e53aa | mp-570610 | Swap the spatial positions of atoms at indices 21 and 7 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 Cd7ICd5I8CdI17
_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 ... |
SwapAtomsAction | 85ff263a-1afd-4f1d-b8a7-c39d3f19c24f | mp-560404 | Swap the spatial positions of atoms at indices 9 and 21 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 In4H4SeOSe2O9SeO6
_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_gr... |
SwapAtomsAction | 21752c61-31bb-45d1-aa44-54285893255a | mp-728419 | Swap the spatial positions of atoms at indices 19 and 52 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 Cd4C15NC12S12N8CN7
_chemical_formula_sum "Cd4 C28 N16 S12"
_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 "... |
SwapAtomsAction | f426766d-394a-4df4-a3f6-6b888fc30c0f | mp-754801 | Swap the spatial positions of atoms at indices 14 and 6 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 Li3Ti3OTi2O5TiO7
_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
_spa... |
SwapAtomsAction | 53fb05d3-10ff-410e-86ed-0b272be40798 | mp-1199329 | Swap the spatial positions of atoms at indices 24 and 1 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 GdOGd2P4H4C8O4GdO19
_chemical_formula_sum "Gd4 O24 P4 H4 C8"
_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... |
SwapAtomsAction | 88d4dc39-bc95-47e3-b16b-51754042c489 | mp-756138 | Swap the spatial positions of atoms at indices 7 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... | data_image0
_chemical_formula_structural Li4V3OV2Sb2O15V
_chemical_formula_sum "Li4 V6 O16 Sb2"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_gr... |
SwapAtomsAction | 16fcca7b-a0d5-4797-a5d0-7143eefd780d | mp-616512 | Swap the spatial positions of atoms at indices 8 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y12Co8
_chemical_formula_sum "Y12 Co8"
_cell_length_a 3.966887
_cell_length_b 9.423694
_cell_length_c 12.225549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_... | data_image0
_chemical_formula_structural Y8CoY3CoYCo6
_chemical_formula_sum "Y12 Co8"
_cell_length_a 3.966887
_cell_length_b 9.423694
_cell_length_c 12.225549
_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... |
SwapAtomsAction | 08f03565-2d09-4a91-8cbe-ad2e65eddfec | mp-24598 | Swap the spatial positions of atoms at indices 33 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P3OP4H16OPO38
_chemical_formula_sum "Ba4 V4 P8 O40 H16"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | fdeaa3f1-c110-4633-b750-5090ac1467c3 | mp-566278 | Swap the spatial positions of atoms at indices 10 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... | data_image0
_chemical_formula_structural WOW2O6WO5
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... |
SwapAtomsAction | f351bca5-5d56-40a1-b923-c2237e8e87d2 | mp-770874 | Swap the spatial positions of atoms at indices 21 and 39 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C3OC4O13CO18
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
SwapAtomsAction | e0801cba-dc18-4bb3-99dd-1c09d0522f02 | mp-2053129 | Swap the spatial positions of atoms at indices 1 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er4As4S4
_chemical_formula_sum "Er4 As4 S4"
_cell_length_a 3.78665465
_cell_length_b 3.81953299
_cell_length_c 16.80727137
_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 ErAsEr2As3ErS4
_chemical_formula_sum "Er4 As4 S4"
_cell_length_a 3.78665465
_cell_length_b 3.81953299
_cell_length_c 16.80727137
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | c53fc698-5e24-4386-b734-6ef5fc3c47db | mp-555420 | Swap the spatial positions of atoms at indices 37 and 89 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Li8Ti24O56
_chemical_formula_sum "Na8 Li8 Ti24 O56"
_cell_length_a 10.06311714
_cell_length_b 10.06311714
_cell_length_c 11.54493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.43828377
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na8Li8Ti21OTi2O49TiO6
_chemical_formula_sum "Na8 Li8 Ti24 O56"
_cell_length_a 10.06311714
_cell_length_b 10.06311714
_cell_length_c 11.54493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.43828377
_space_group_n... |
SwapAtomsAction | f3c38985-02a1-4549-b7da-8e4f6ded305e | mp-1105068 | Swap the spatial positions of atoms at indices 2 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural FeYBaFe3O7
_chemical_formula_sum "Fe4 Y1 Ba1 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space... |
SwapAtomsAction | c723f494-7aef-4d07-bfb1-53f5f2b6889e | mp-18672 | Swap the spatial positions of atoms at indices 12 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... | data_image0
_chemical_formula_structural Cs2Dy4Cu3SeCu3Se9
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_... |
SwapAtomsAction | d01e6244-f9d2-4663-bc57-e76d77bf5d9e | mp-772660 | Swap the spatial positions of atoms at indices 7 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb4Cr4O16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb2CrNbCr3NbO16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_n... |
SwapAtomsAction | 9813ec7c-6607-4659-b4d6-39816bd68f11 | mp-1031226 | Swap the spatial positions of atoms at indices 6 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_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 RbMg5OTiMgO7
_chemical_formula_sum "Rb1 Mg6 O8 Ti1"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 4789f10e-0ddc-4bd4-a037-b92afe429193 | mp-1212834 | Swap the spatial positions of atoms at indices 4 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd4Ni4Pb4
_chemical_formula_sum "Gd4 Ni4 Pb4"
_cell_length_a 4.572982
_cell_length_b 7.27882227
_cell_length_c 7.7671560600000005
_cell_angle_alpha 89.95544366999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural GdNiGd3Ni3Pb4
_chemical_formula_sum "Gd4 Ni4 Pb4"
_cell_length_a 4.572982
_cell_length_b 7.27882227
_cell_length_c 7.7671560600000005
_cell_angle_alpha 89.95544366999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SwapAtomsAction | 6829171d-3970-4498-bf91-4a3a546f53a1 | mp-1224332 | Swap the spatial positions of atoms at indices 4 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural InAs4Pd15
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... | data_image0
_chemical_formula_structural InAs3Pd13AsPd2
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.85315... |
SwapAtomsAction | 9964634e-7224-404c-8161-615efd6668a8 | mp-1026902 | Swap the spatial positions of atoms at indices 1 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14CuB
_chemical_formula_sum "Mg14 Cu1 B1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgCuMg13B
_chemical_formula_sum "Mg14 Cu1 B1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-M_al... |
SwapAtomsAction | f161e643-0120-46e5-88f9-421cf58701b4 | mp-1228475 | Swap the spatial positions of atoms at indices 4 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba4OBa5Mn2Co8O2BaO25
_chemical_formula_sum "Ba10 O28 Mn2 Co8"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | a9f93c4d-5d3f-4f47-808c-ca5ef5d3cc7d | mp-1195795 | Swap the spatial positions of atoms at indices 16 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y3SY7SYS20
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_spa... |
SwapAtomsAction | 5f74c659-2652-4a3e-97e4-f1842df5866f | mp-2219699 | Swap the spatial positions of atoms at indices 3 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2MgRe2O8
_chemical_formula_sum "K2 Mg1 Re2 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_gr... | data_image0
_chemical_formula_structural K2ReMgReO8
_chemical_formula_sum "K2 Re2 Mg1 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_g... |
SwapAtomsAction | e2f64d8b-2588-4ba4-8ce8-35b6d70013f4 | mp-667336 | Swap the spatial positions of atoms at indices 52 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr10TeZrTe24ZrTe39
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SwapAtomsAction | f73936fd-5b13-4ea1-bc66-55e436186e82 | mp-1209541 | Swap the spatial positions of atoms at indices 0 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Se3N3O12
_chemical_formula_sum "Se3 N3 O12"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... | data_image0
_chemical_formula_structural OSe2N3SeO11
_chemical_formula_sum "O12 Se3 N3"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_spac... |
SwapAtomsAction | 7da6b874-61c6-4321-bc15-b2e097db28fb | mp-1217947 | Swap the spatial positions of atoms at indices 0 and 38 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 OTa3Nb4Ag8O22TaO
_chemical_formula_sum "O24 Ta4 Nb4 Ag8"
_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... |
SwapAtomsAction | f26a616a-b414-4286-8202-fe65cda0ac4e | mp-675510 | Swap the spatial positions of atoms at indices 18 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural As8Pd10Pb2
_chemical_formula_sum "As8 Pd10 Pb2"
_cell_length_a 19.72310211
_cell_length_b 6.816069789999999
_cell_length_c 6.88341192
_cell_angle_alpha 60.10400328000001
_cell_angle_beta 55.62289422
_cell_angle_gamma 29.595271559999... | data_image0
_chemical_formula_structural As5PbAs2Pd10AsPb
_chemical_formula_sum "As8 Pb2 Pd10"
_cell_length_a 19.72310211
_cell_length_b 6.816069789999999
_cell_length_c 6.88341192
_cell_angle_alpha 60.10400328000001
_cell_angle_beta 55.62289422
_cell_angle_gamma 29.595271... |
SwapAtomsAction | 66e8de62-5d9e-460f-9907-d517f4db9f55 | mp-1035887 | Swap the spatial positions of atoms at indices 5 and 17 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 KMg4OMg9WOMgO14
_chemical_formula_sum "K1 Mg14 O16 W1"
_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"
_... |
SwapAtomsAction | 5642195b-3606-4e57-89a9-6aa9ef1a271e | mp-510 | Swap the spatial positions of atoms at indices 11 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta11OTa4O6TaO25
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_spac... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.