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 |
|---|---|---|---|---|---|
SuperCellAction | 815e8c2a-b5da-4a42-b9b1-17a8aed7ba31 | mp-7199 | Create a supercell with the size 2 by 1 by 2. | 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 Rb2Pr2Te8Rb2Pr2Te8Rb2Pr2Te8Rb2Pr2Te8
_chemical_formula_sum "Rb8 Pr8 Te32"
_cell_length_a 14.0123196
_cell_length_b 7.0061598
_cell_length_c 18.46922774
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | f60dd354-dc6e-4d52-9849-403335007dc1 | mp-10339 | Create a supercell with the size 4*1*2. | 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 Sr4Nb4O12Sr4Nb4O12Sr4Nb4O12Sr4Nb4O12Sr4Nb4O12Sr4Nb4O12Sr4Nb4O12Sr4Nb4O12
_chemical_formula_sum "Sr32 Nb32 O96"
_cell_length_a 22.90663068
_cell_length_b 5.73016776
_cell_length_c 16.2701653
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | 6be4fc64-548a-48b4-b65c-a838f1fb1401 | mp-1247690 | Create a supercell with the size 4*2*1. | 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 SrCa7Mn8O24SrCa7Mn8O24SrCa7Mn8O24SrCa7Mn8O24SrCa7Mn8O24SrCa7Mn8O24SrCa7Mn8O24SrCa7Mn8O24
_chemical_formula_sum "Sr8 Ca56 Mn64 O192"
_cell_length_a 30.475724
_cell_length_b 15.237862
_cell_length_c 7.618931
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | 814d4a02-cbbd-4bd2-962e-8c230d0eb636 | mp-1194089 | Create a supercell with the size 1×1×2. | 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 CaMn28CaMn28
_chemical_formula_sum "Ca2 Mn56"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 15.1764682
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name... |
SuperCellAction | 7ee080aa-b1fd-4c75-ba83-6c6bf8e76567 | mp-18051 | Create a supercell with the size 2*2*1. | 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 La8Ti4O20La8Ti4O20La8Ti4O20La8Ti4O20
_chemical_formula_sum "La32 Ti16 O80"
_cell_length_a 7.84693964
_cell_length_b 22.03298494
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma ... |
SuperCellAction | c70d2de8-92fb-425b-acf4-9e7d6a0d87cc | mp-715438 | Create a supercell with the size 3*1*2. | 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 Fe6O8Fe6O8Fe6O8Fe6O8Fe6O8Fe6O8
_chemical_formula_sum "Fe36 O48"
_cell_length_a 8.828012820000001
_cell_length_b 5.098815649999999
_cell_length_c 19.98052376
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma ... |
SuperCellAction | f7edc1d4-c524-440d-b454-30ebcc4ff9e6 | mp-554765 | Create a supercell with the size 1*2*2. | 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 BaSb2F12BaSb2F12BaSb2F12BaSb2F12
_chemical_formula_sum "Ba4 Sb8 F48"
_cell_length_a 5.52104672
_cell_length_b 11.21049134
_cell_length_c 18.79181318
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.537... |
SuperCellAction | 4db7ea82-37db-4a75-8c04-ecdd68f53e11 | mp-1208150 | Create a supercell with the size 4 by 1 by 2. | 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 Th4Cr4Sb12Th4Cr4Sb12Th4Cr4Sb12Th4Cr4Sb12Th4Cr4Sb12Th4Cr4Sb12Th4Cr4Sb12Th4Cr4Sb12
_chemical_formula_sum "Th32 Cr32 Sb96"
_cell_length_a 24.799968
_cell_length_b 6.315171
_cell_length_c 25.911698
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 2a3d6268-194e-4dec-81d4-6e2ea946b184 | mp-774237 | Create a supercell with the size 2x2x1. | 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 Li5Cr2Ni5O12Li5Cr2Ni5O12Li5Cr2Ni5O12Li5Cr2Ni5O12
_chemical_formula_sum "Li20 Cr8 Ni20 O48"
_cell_length_a 10.23138362
_cell_length_b 10.23138362
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787... |
SuperCellAction | 0c252ee9-1e2a-41e6-bdc7-cf12b9b3de6e | mp-2207630 | Create a supercell with the size 1x4x1. | 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 Rb8La4F20Rb8La4F20Rb8La4F20Rb8La4F20
_chemical_formula_sum "Rb32 La16 F80"
_cell_length_a 6.89019891
_cell_length_b 31.27519956
_cell_length_c 11.312775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 60a2d95c-84d0-4871-bde4-a39aaec7710a | mp-562662 | Create a supercell with the size 1x4x2. | 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 Ba8Co4C8O24F8Ba8Co4C8O24F8Ba8Co4C8O24F8Ba8Co4C8O24F8Ba8Co4C8O24F8Ba8Co4C8O24F8Ba8Co4C8O24F8Ba8Co4C8O24F8
_chemical_formula_sum "Ba64 Co32 C64 O192 F64"
_cell_length_a 6.749409
_cell_length_b 36.353336
_cell_length_c 23.408226
_cell_angle_alph... |
SuperCellAction | 23be440c-393d-49f4-bf83-3f7e96033900 | mp-755978 | Create a supercell with the size 1*4*2. | 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 Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10
_chemical_formula_sum "Ni48 O16 F80"
_cell_length_a 5.62698948
_cell_length_b 22.50795792
_cell_length_c 14.56881962
_cell_angle_alpha 72.78738557000001
_cell_angle_beta ... |
SuperCellAction | 78226206-1a57-4115-bbcd-cce1b458659f | mp-21683 | Create a supercell with the size 2 by 4 by 1. | 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 In2Ni21P6In2Ni21P6In2Ni21P6In2Ni21P6In2Ni21P6In2Ni21P6In2Ni21P6In2Ni21P6
_chemical_formula_sum "In16 Ni168 P48"
_cell_length_a 15.55173284
_cell_length_b 31.10399804
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta ... |
SuperCellAction | 3c4d0e4d-e391-4e15-a2e0-2bc29ecbd25a | mp-1211033 | Create a supercell with the size 1X2X4. | 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 Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3
_chemical_formula_sum "Lu96 In16 Fe24"
_cell_length_a 8.15749244
_cell_length_b 16.31497594
_cell_length_c 32.63011244
_cell_angle_alpha 108.89905187
_cell_an... |
SuperCellAction | 0dd70d9f-f3ed-43af-b8a6-de7905b3bafa | mp-1205446 | Create a supercell with the size 4×1×1. | 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 Hg32Br12O16Hg32Br12O16Hg32Br12O16Hg32Br12O16
_chemical_formula_sum "Hg128 Br48 O64"
_cell_length_a 25.48617008
_cell_length_b 6.94871517
_cell_length_c 31.68044603
_cell_angle_alpha 83.68968203
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | da877cb3-3a18-4d24-a42a-b2a65432fb57 | mp-1038443 | Create a supercell with the size 2*1*3. | 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 HfMg30CdO32HfMg30CdO32HfMg30CdO32HfMg30CdO32HfMg30CdO32HfMg30CdO32
_chemical_formula_sum "Hf6 Mg180 Cd6 O192"
_cell_length_a 17.323616
_cell_length_b 8.661808
_cell_length_c 25.957044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 7c7c79b2-d4ec-4e11-95c2-8b71bae8854b | mp-1029771 | Create a supercell with the size 1*3*1. | 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 Ca8Re4N12Ca8Re4N12Ca8Re4N12
_chemical_formula_sum "Ca24 Re12 N36"
_cell_length_a 6.06534937
_cell_length_b 32.27266878
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.... |
SuperCellAction | 8029b44b-9bc7-45ca-b84c-00faf88535cb | mp-1215346 | Create a supercell with the size 2×2×1. | 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 Zr4Al4Cr4Zr4Al4Cr4Zr4Al4Cr4Zr4Al4Cr4
_chemical_formula_sum "Zr16 Al16 Cr16"
_cell_length_a 10.29565848
_cell_length_b 10.29727744
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000... |
SuperCellAction | 37afec09-402f-473e-905e-eac9377544fd | mp-1176871 | Create a supercell with the size 1x3x2. | 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 Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58
_chemical_formula_sum "Li84 V36 P96 O348"
_cell_length_a 9.85789844
_cell_length_b 29.5566348
_cell_length_c 27.84249292
_cell_angle_alpha 89.85441915999999
_cell_ang... |
SuperCellAction | b65359f4-08de-480a-b3a2-e7c2dfd87359 | mp-775016 | Create a supercell with the size 3X1X1. | 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 Mn2Cr2P4O16Mn2Cr2P4O16Mn2Cr2P4O16
_chemical_formula_sum "Mn6 Cr6 P12 O48"
_cell_length_a 14.51534769
_cell_length_b 9.86507043
_cell_length_c 5.88522203
_cell_angle_alpha 90.00640642999998
_cell_angle_beta 89.99026565999999
_cell_angle... |
SuperCellAction | 781384f3-b0dc-4a16-8c63-d04b7fe275f1 | mp-1320145 | Create a supercell with the size 2×3×1. | 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 Li2Fe2Mo2Cl2O8Li2Fe2Mo2Cl2O8Li2Fe2Mo2Cl2O8Li2Fe2Mo2Cl2O8Li2Fe2Mo2Cl2O8Li2Fe2Mo2Cl2O8
_chemical_formula_sum "Li12 Fe12 Mo12 Cl12 O48"
_cell_length_a 10.22818756
_cell_length_b 21.186096990000003
_cell_length_c 7.13712466
_cell_angle_alpha 8... |
SuperCellAction | 10a583c7-1417-4a7b-82a6-4251c52e8d1f | mp-1106114 | Create a supercell with the size 1x1x4. | 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 Rb6Nd2N12Rb6Nd2N12Rb6Nd2N12Rb6Nd2N12
_chemical_formula_sum "Rb24 Nd8 N48"
_cell_length_a 8.31267826
_cell_length_b 8.31267826
_cell_length_c 33.2507114
_cell_angle_alpha 90.96326456999999
_cell_angle_beta 90.96326456999999
_cell_angle_... |
SuperCellAction | 6d25458e-ea0c-4ae0-a87c-4518ec5a7654 | mp-1229210 | Create a supercell with the size 3*2*1. | 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 Ba10Er5Cu15O34Ba10Er5Cu15O34Ba10Er5Cu15O34Ba10Er5Cu15O34Ba10Er5Cu15O34Ba10Er5Cu15O34
_chemical_formula_sum "Ba60 Er30 Cu90 O204"
_cell_length_a 25.868294999999996
_cell_length_b 17.5139693
_cell_length_c 12.5324057
_cell_angle_alpha 106.37... |
SuperCellAction | bfc76916-485b-4a4d-b171-02f992056d2a | mp-1324601 | Create a supercell with the size 1 by 1 by 2. | 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 Zn12Si12Ag8O48Zn12Si12Ag8O48
_chemical_formula_sum "Zn24 Si24 Ag16 O96"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 20.8768899
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 1... |
SuperCellAction | c6878bbe-3713-45c6-a602-962dd446bd4c | mp-1386638 | Create a supercell with the size 1×2×4. | 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 Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16
_chemical_formula_sum "Na40 Cu24 P32 O128"
_cell_length_a 5.153311
_cell_length_b 17.00360456
_cell_length_c 36.77143532
_cell_angle_alpha 116.1322019... |
SuperCellAction | c662e53a-68a9-45cf-ad98-1998e5329ba0 | mp-849436 | Create a supercell with the size 1X4X2. | 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 Na4Fe8O16Na4Fe8O16Na4Fe8O16Na4Fe8O16Na4Fe8O16Na4Fe8O16Na4Fe8O16Na4Fe8O16
_chemical_formula_sum "Na32 Fe64 O128"
_cell_length_a 4.87663805
_cell_length_b 22.53440408
_cell_length_c 22.88724818
_cell_angle_alpha 90.00701889999999
_cell_angle... |
SuperCellAction | fe9dcadf-3388-4166-ad70-4d04da811d7b | mp-1238779 | Create a supercell with the size 1*1*3. | 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 Rb2Cr4S8Rb2Cr4S8Rb2Cr4S8
_chemical_formula_sum "Rb6 Cr12 S24"
_cell_length_a 7.72320835
_cell_length_b 7.72320835
_cell_length_c 23.16962505
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
SuperCellAction | ebc03586-33fd-4213-b772-7e4c1965cc23 | mp-559435 | Create a supercell with the size 4×1×1. | 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 Co3F9Co3F9Co3F9Co3F9
_chemical_formula_sum "Co12 F36"
_cell_length_a 21.17791268
_cell_length_b 5.29447914
_cell_length_c 6.484095559999999
_cell_angle_alpha 90.00003394
_cell_angle_beta 89.99998015
_cell_angle_gamma 120.00004250999... |
SuperCellAction | 3756b1e1-2e10-4e3f-b7fe-7026ec6f6f8b | mp-770799 | Create a supercell with the size 1 by 4 by 1. | 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 Li10Nb2O10Li10Nb2O10Li10Nb2O10Li10Nb2O10
_chemical_formula_sum "Li40 Nb8 O40"
_cell_length_a 5.5080777
_cell_length_b 22.0323108
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_ang... |
SuperCellAction | d18085aa-c765-4f85-96bc-2db1f8855faf | mp-850188 | Create a supercell with the size 1*1*2. | 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 Li2V2O2F8Li2V2O2F8
_chemical_formula_sum "Li4 V4 O4 F16"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 20.49129
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_... |
SuperCellAction | 88f271d3-878b-4524-80b7-0959ff2d76a7 | mp-1046778 | Create a supercell with the size 3x1x2. | 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 Sr4Y4Sn4O14Sr4Y4Sn4O14Sr4Y4Sn4O14Sr4Y4Sn4O14Sr4Y4Sn4O14Sr4Y4Sn4O14
_chemical_formula_sum "Sr24 Y24 Sn24 O84"
_cell_length_a 35.752660649999996
_cell_length_b 11.917553550000001
_cell_length_c 23.8351071
_cell_angle_alpha 46.54074575
_cell_... |
SuperCellAction | a0b02684-f12d-405e-9066-5716b0fa9d9e | mp-1026435 | Create a supercell with the size 1x1x2. | 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 Mg14TiMoMg14TiMo
_chemical_formula_sum "Mg28 Ti2 Mo2"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 19.94449944
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_nam... |
SuperCellAction | 95c2b691-d3b6-4b32-b864-2d1e4c8d1405 | mp-1235662 | Create a supercell with the size 4×1×1. | 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 LiY2Fe4O8LiY2Fe4O8LiY2Fe4O8LiY2Fe4O8
_chemical_formula_sum "Li4 Y8 Fe16 O32"
_cell_length_a 26.44225316
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma ... |
SuperCellAction | 9815da9e-9e0b-4bfd-89bb-03bd09764b70 | mp-3956 | Create a supercell with the size 2*3*1. | 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 Sr6U2O12Sr6U2O12Sr6U2O12Sr6U2O12Sr6U2O12Sr6U2O12
_chemical_formula_sum "Sr36 U12 O72"
_cell_length_a 12.0237415
_cell_length_b 18.734759160000003
_cell_length_c 8.62546066
_cell_angle_alpha 90.0
_cell_angle_beta 90.47273692
_cell_angle... |
SuperCellAction | e61597b2-f662-4368-ba7c-c8ddf1fd24ba | mp-1249385 | Create a supercell with the size 1×2×4. | 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 Ba2Ti2AlTlO7Ba2Ti2AlTlO7Ba2Ti2AlTlO7Ba2Ti2AlTlO7Ba2Ti2AlTlO7Ba2Ti2AlTlO7Ba2Ti2AlTlO7Ba2Ti2AlTlO7
_chemical_formula_sum "Ba16 Ti16 Al8 Tl8 O56"
_cell_length_a 3.84082844
_cell_length_b 7.6952529
_cell_length_c 58.336316960000005
_cell_angle_al... |
SuperCellAction | a6091a9a-a254-452c-8f3f-653560dad02e | mp-1192837 | Create a supercell with the size 4*1*1. | 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 Al2Sb10Se10Cl8Al2Sb10Se10Cl8Al2Sb10Se10Cl8Al2Sb10Se10Cl8
_chemical_formula_sum "Al8 Sb40 Se40 Cl32"
_cell_length_a 38.807672
_cell_length_b 9.83934008
_cell_length_c 11.94593014
_cell_angle_alpha 104.07211943
_cell_angle_beta 110.25561... |
SuperCellAction | 21599c95-a9d4-4caf-adda-4bd7565a5393 | mp-1035395 | Create a supercell with the size 4×1×1. | 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 Mg14VCuO16Mg14VCuO16Mg14VCuO16Mg14VCuO16
_chemical_formula_sum "Mg56 V4 Cu4 O64"
_cell_length_a 34.227272
_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_gro... |
SuperCellAction | e989a4ed-8446-46ad-928a-10ce729d5b29 | mp-559163 | Create a supercell with the size 2*2*1. | 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 K4Fe4As8O28K4Fe4As8O28K4Fe4As8O28K4Fe4As8O28
_chemical_formula_sum "K16 Fe16 As32 O112"
_cell_length_a 15.660646
_cell_length_b 17.16546136
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cel... |
SuperCellAction | 86699d4b-1841-4001-9a1c-8f37b990077b | mp-757591 | Create a supercell with the size 3 by 1 by 1. | 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 Li12V6P16O58Li12V6P16O58Li12V6P16O58
_chemical_formula_sum "Li36 V18 P48 O174"
_cell_length_a 29.380506
_cell_length_b 9.81214705
_cell_length_c 13.9753412
_cell_angle_alpha 89.76570739
_cell_angle_beta 89.74495204
_cell_angle_gamma ... |
SuperCellAction | 40ad7488-29f1-4197-84e6-9ff1884fbeb8 | mp-11726 | Create a supercell with the size 4*1*2. | 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 La2Si8Ni18La2Si8Ni18La2Si8Ni18La2Si8Ni18La2Si8Ni18La2Si8Ni18La2Si8Ni18La2Si8Ni18
_chemical_formula_sum "La16 Si64 Ni144"
_cell_length_a 31.868594
_cell_length_b 7.9671485
_cell_length_c 15.934297
_cell_angle_alpha 121.00716573999998
_cell_... |
SuperCellAction | adcfd88d-d752-4a7b-8c66-e269f3538c9b | mp-540706 | Create a supercell with the size 1X2X3. | 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 Na4Nb8O22Na4Nb8O22Na4Nb8O22Na4Nb8O22Na4Nb8O22Na4Nb8O22
_chemical_formula_sum "Na24 Nb48 O132"
_cell_length_a 12.94249259
_cell_length_b 25.88498518
_cell_length_c 38.827478160000005
_cell_angle_alpha 28.20928009000002
_cell_angle_beta ... |
SuperCellAction | a80e25b2-526f-49e9-8f39-3925ba3b1bb0 | mp-1198574 | Create a supercell with the size 1×2×4. | 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 Mg4H32C12N8O24Mg4H32C12N8O24Mg4H32C12N8O24Mg4H32C12N8O24Mg4H32C12N8O24Mg4H32C12N8O24Mg4H32C12N8O24Mg4H32C12N8O24
_chemical_formula_sum "Mg32 H256 C96 N64 O192"
_cell_length_a 7.86321414
_cell_length_b 27.47625572
_cell_length_c 29.51506788
_c... |
SuperCellAction | cb46b467-0079-448c-83f0-258e93259f3b | mp-1028135 | Create a supercell with the size 3×1×1. | 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 CaMg14BiCaMg14BiCaMg14Bi
_chemical_formula_sum "Ca3 Mg42 Bi3"
_cell_length_a 19.73098539
_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_... |
SuperCellAction | 81dd1534-1eb8-4241-9114-e9ccc68a1ceb | mp-1210644 | Create a supercell with the size 1 by 2 by 1. | 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 Nd2Hf2O28Nd2Hf2O28
_chemical_formula_sum "Nd4 Hf4 O56"
_cell_length_a 7.62017441
_cell_length_b 15.240348820000001
_cell_length_c 7.62017441
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
SuperCellAction | b02f0676-b0fa-4704-809e-0c98bf23cb50 | mp-1219537 | Create a supercell with the size 1X2X3. | 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 Sc3Ga16Fe20Sc3Ga16Fe20Sc3Ga16Fe20Sc3Ga16Fe20Sc3Ga16Fe20Sc3Ga16Fe20
_chemical_formula_sum "Sc18 Ga96 Fe120"
_cell_length_a 5.013486
_cell_length_b 13.0035975
_cell_length_c 54.72965325
_cell_angle_alpha 93.86234432
_cell_angle_beta 82.1... |
SuperCellAction | fa2ceac5-721d-41d6-b255-beb3f8b8034a | mp-1229180 | Create a supercell with the size 2 by 1 by 3. | 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 Ag8Sb5As3S16Ag8Sb5As3S16Ag8Sb5As3S16Ag8Sb5As3S16Ag8Sb5As3S16Ag8Sb5As3S16
_chemical_formula_sum "Ag48 Sb30 As18 S96"
_cell_length_a 11.947266
_cell_length_b 8.81196699
_cell_length_c 41.146107
_cell_angle_alpha 95.73033089
_cell_angle_beta ... |
SuperCellAction | e13d2c8b-9b32-4c98-8439-6a0b79d82d40 | mp-1177387 | Create a supercell with the size 3*2*1. | 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 Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58
_chemical_formula_sum "Li48 V36 P96 O348"
_cell_length_a 29.229462390000002
_cell_length_b 19.48630826
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_be... |
SuperCellAction | 357866ca-9869-452b-8cbc-8a47449bcf38 | mp-2236954 | Create a supercell with the size 1 by 2 by 2. | 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 Co6O6F6Co6O6F6Co6O6F6Co6O6F6
_chemical_formula_sum "Co24 O24 F24"
_cell_length_a 4.5388127
_cell_length_b 8.98167802
_cell_length_c 18.018372079999995
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma ... |
SuperCellAction | 73be6b14-6ee8-4204-ab64-017b2a2c52fc | mp-685100 | Create a supercell with the size 1X1X4. | 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 Cu14I19Cu14I19Cu14I19Cu14I19
_chemical_formula_sum "Cu56 I76"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 269.43724288000004
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.3055... |
SuperCellAction | 8a8dd949-3d3f-4028-aaa1-eebd8f411af0 | mp-1110589 | Create a supercell with the size 1*2*3. | 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 Rb2IrAuF6Rb2IrAuF6Rb2IrAuF6Rb2IrAuF6Rb2IrAuF6Rb2IrAuF6
_chemical_formula_sum "Rb12 Ir6 Au6 F36"
_cell_length_a 6.35201375
_cell_length_b 12.7040275
_cell_length_c 19.056041250000003
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | 29700a7f-fe7f-468f-85b1-f2a9c6649e63 | mp-677864 | Create a supercell with the size 3×1×2. | 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 Li2Sn4P6O24Li2Sn4P6O24Li2Sn4P6O24Li2Sn4P6O24Li2Sn4P6O24Li2Sn4P6O24
_chemical_formula_sum "Li12 Sn24 P36 O144"
_cell_length_a 25.65048
_cell_length_b 8.564034920000001
_cell_length_c 18.05224364
_cell_angle_alpha 118.0423152
_cell_angle_bet... |
SuperCellAction | 2e5e9fa4-f5c2-4160-b9b8-e051ec5ae11a | mp-1379435 | Create a supercell with the size 1×3×2. | 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 Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10
_chemical_formula_sum "Li30 Ni30 O60"
_cell_length_a 5.044044
_cell_length_b 15.1866921
_cell_length_c 15.10139678
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cel... |
SuperCellAction | aa1ed125-867f-476a-88c5-4d69085cc6f1 | mp-1213576 | Create a supercell with the size 1*3*2. | 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 Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu96 Ni12 Sb36 S156 N72"
_cell_length_a 12.53861968
_cell_length_b 37.615859040000004
_cell_length_c 25.07723936
_cell_ang... |
SuperCellAction | 36beb102-5f03-4cec-b2b3-78952b1d52f0 | mp-754454 | Create a supercell with the size 4*1*1. | 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 Cd2Ag4O8Cd2Ag4O8Cd2Ag4O8Cd2Ag4O8
_chemical_formula_sum "Cd8 Ag16 O32"
_cell_length_a 29.06912684
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.6... |
SuperCellAction | a22dd33d-7b73-4d54-ad61-2e4c64e4555a | mp-698292 | Create a supercell with the size 1 by 2 by 2. | 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 K2ZrCdH16C8O24K2ZrCdH16C8O24K2ZrCdH16C8O24K2ZrCdH16C8O24
_chemical_formula_sum "K8 Zr4 Cd4 H64 C32 O96"
_cell_length_a 9.23941705
_cell_length_b 18.4788341
_cell_length_c 18.4788341
_cell_angle_alpha 103.72416908000001
_cell_angle_beta ... |
SuperCellAction | 477e5f1f-74fb-44aa-a737-e7eeab6a40b7 | mp-755682 | Create a supercell with the size 1X2X4. | 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 Li8Fe2O6F2Li8Fe2O6F2Li8Fe2O6F2Li8Fe2O6F2Li8Fe2O6F2Li8Fe2O6F2Li8Fe2O6F2Li8Fe2O6F2
_chemical_formula_sum "Li64 Fe16 O48 F16"
_cell_length_a 5.172149
_cell_length_b 10.4391056
_cell_length_c 32.28968895999999
_cell_angle_alpha 71.259307330000... |
SuperCellAction | 34e785c3-4806-4074-87f9-200a22a8d80f | mp-761155 | Create a supercell with the size 1*2*4. | 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 Li4Co3Ni3W2O16Li4Co3Ni3W2O16Li4Co3Ni3W2O16Li4Co3Ni3W2O16Li4Co3Ni3W2O16Li4Co3Ni3W2O16Li4Co3Ni3W2O16Li4Co3Ni3W2O16
_chemical_formula_sum "Li32 Co24 Ni24 W16 O128"
_cell_length_a 5.92442302
_cell_length_b 11.84884604
_cell_length_c 38.9743413599... |
SuperCellAction | 748979e0-c245-4a0c-af90-1b01dcc900cd | mp-1034797 | Create a supercell with the size 4*2*1. | 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 RbNaMg14O15RbNaMg14O15RbNaMg14O15RbNaMg14O15RbNaMg14O15RbNaMg14O15RbNaMg14O15RbNaMg14O15
_chemical_formula_sum "Rb8 Na8 Mg112 O120"
_cell_length_a 16.850272
_cell_length_b 16.753338
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_ang... |
SuperCellAction | 326ffcff-787c-440c-8392-d0de6b784805 | mp-1033833 | Create a supercell with the size 2×1×4. | 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 CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7
_chemical_formula_sum "Cs8 Rb8 Mg48 O56"
_cell_length_a 16.03142314
_cell_length_b 5.11553541
_cell_length_c 20.462154159999997
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | 179e8291-496e-4ef2-857e-e67803bd4230 | mp-30794 | Create a supercell with the size 2×1×4. | 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 Na30Sn8Na30Sn8Na30Sn8Na30Sn8Na30Sn8Na30Sn8Na30Sn8Na30Sn8
_chemical_formula_sum "Na240 Sn64"
_cell_length_a 22.5609428
_cell_length_b 11.28047127
_cell_length_c 45.12188448
_cell_angle_alpha 109.47121859
_cell_angle_beta 109.47121835
_c... |
SuperCellAction | fa8b5294-dd53-406f-b60e-4a94e6a5509d | mp-2219347 | Create a supercell with the size 2X3X1. | 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 MgTe4Mo2W2S4MgTe4Mo2W2S4MgTe4Mo2W2S4MgTe4Mo2W2S4MgTe4Mo2W2S4MgTe4Mo2W2S4
_chemical_formula_sum "Mg6 Te24 Mo12 W12 S24"
_cell_length_a 6.734128
_cell_length_b 10.10256102
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell... |
SuperCellAction | 488ffb7b-556d-4347-9602-8f51c658cc02 | mp-1033378 | Create a supercell with the size 3 by 2 by 1. | 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 Mg6CrBiO8Mg6CrBiO8Mg6CrBiO8Mg6CrBiO8Mg6CrBiO8Mg6CrBiO8
_chemical_formula_sum "Mg36 Cr6 Bi6 O48"
_cell_length_a 27.444096539999997
_cell_length_b 8.97114184
_cell_length_c 4.48557092
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 6bbda564-48d8-4f22-818f-12b9e3b9e625 | mp-706430 | Create a supercell with the size 3x1x2. | 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 H12N4O16H12N4O16H12N4O16H12N4O16H12N4O16H12N4O16
_chemical_formula_sum "H72 N24 O96"
_cell_length_a 18.505122
_cell_length_b 6.302972
_cell_length_c 18.540922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | 92235128-c4b5-4176-ba5c-95514df912e0 | mp-1213717 | Create a supercell with the size 1*1*4. | 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 Cs8Sb4F20Cs8Sb4F20Cs8Sb4F20Cs8Sb4F20
_chemical_formula_sum "Cs32 Sb16 F80"
_cell_length_a 6.7017
_cell_length_b 8.5046
_cell_length_c 52.227324
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | dcb4ac2e-40ed-4c83-b2b0-595d05dca665 | mp-1227514 | Create a supercell with the size 3x1x1. | 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 Ca4Ga4Ge2O14Ca4Ga4Ge2O14Ca4Ga4Ge2O14
_chemical_formula_sum "Ca12 Ga12 Ge6 O42"
_cell_length_a 23.939829
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | 70b8fac8-c7b4-4645-a347-6a45ad3f78fe | mp-780049 | Create a supercell with the size 2x1x3. | 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 Lu2Ta14O38Lu2Ta14O38Lu2Ta14O38Lu2Ta14O38Lu2Ta14O38Lu2Ta14O38
_chemical_formula_sum "Lu12 Ta84 O228"
_cell_length_a 12.49612328
_cell_length_b 6.2480616399999995
_cell_length_c 60.11906400000001
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 7b1db7db-0c78-45b7-a867-7ac67f507332 | mp-13514 | Create a supercell with the size 1x2x2. | 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 Nd4B4O12Nd4B4O12Nd4B4O12Nd4B4O12
_chemical_formula_sum "Nd16 B16 O48"
_cell_length_a 6.29114009
_cell_length_b 13.1692282
_cell_length_c 13.145496900000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma ... |
SuperCellAction | 08e62010-973c-4fd4-a3da-4d8be4ed81f5 | mp-735530 | Create a supercell with the size 1x1x4. | 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 Ba2Fe3P6HO22Ba2Fe3P6HO22Ba2Fe3P6HO22Ba2Fe3P6HO22
_chemical_formula_sum "Ba8 Fe12 P24 H4 O88"
_cell_length_a 4.919701
_cell_length_b 8.00249343
_cell_length_c 45.69321044
_cell_angle_alpha 89.27073239
_cell_angle_beta 89.2849342
_cell_a... |
SuperCellAction | 7e5bcffa-092d-4a88-b8e4-e53844e8e617 | mp-559593 | Create a supercell with the size 1X3X1. | 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 P3S9N15F6P3S9N15F6P3S9N15F6
_chemical_formula_sum "P9 S27 N45 F18"
_cell_length_a 11.52852389
_cell_length_b 34.58557167
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamm... |
SuperCellAction | 08ddb6d9-6778-4b5b-b8ea-77b578c8bfc4 | mp-555541 | Create a supercell with the size 1*2*3. | 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 K4C4N8O16K4C4N8O16K4C4N8O16K4C4N8O16K4C4N8O16K4C4N8O16
_chemical_formula_sum "K24 C24 N48 O96"
_cell_length_a 7.67341916
_cell_length_b 15.34683832
_cell_length_c 27.45143226
_cell_angle_alpha 75.97483683
_cell_angle_beta 75.97483683
_... |
SuperCellAction | 0156e2a0-617f-4c66-ba65-89b285af96aa | mp-1044010 | Create a supercell with the size 1*2*4. | 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 Zn4Sn4Bi4O20Zn4Sn4Bi4O20Zn4Sn4Bi4O20Zn4Sn4Bi4O20Zn4Sn4Bi4O20Zn4Sn4Bi4O20Zn4Sn4Bi4O20Zn4Sn4Bi4O20
_chemical_formula_sum "Zn32 Sn32 Bi32 O160"
_cell_length_a 11.157864
_cell_length_b 10.665642
_cell_length_c 35.24448052
_cell_angle_alpha 73.... |
SuperCellAction | ed3c5c04-27f3-4c29-b61f-e7c6674f9b9c | mp-705551 | Create a supercell with the size 4×1×2. | 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 Fe15O16Fe15O16Fe15O16Fe15O16Fe15O16Fe15O16Fe15O16Fe15O16
_chemical_formula_sum "Fe120 O128"
_cell_length_a 24.988412
_cell_length_b 6.26532232
_cell_length_c 17.53647618
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
... |
SuperCellAction | e0426ab2-5464-4ba8-b63f-34d6ceba573c | mp-4770 | Create a supercell with the size 4×1×2. | 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 Na4S2O8Na4S2O8Na4S2O8Na4S2O8Na4S2O8Na4S2O8Na4S2O8Na4S2O8
_chemical_formula_sum "Na32 S16 O64"
_cell_length_a 22.62020124
_cell_length_b 5.65504963
_cell_length_c 13.52167554
_cell_angle_alpha 102.80605339
_cell_angle_beta 102.80604188
... |
SuperCellAction | 6b38c72c-1013-42f7-b1df-211c42269f6e | mp-1207356 | Create a supercell with the size 1×2×2. | 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 RbTm3O6RbTm3O6RbTm3O6RbTm3O6
_chemical_formula_sum "Rb4 Tm12 O24"
_cell_length_a 9.51444701
_cell_length_b 19.02889402
_cell_length_c 99.566764
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_grou... |
SuperCellAction | 7656c1ff-6516-4823-a6ec-b1cb0d4922d2 | mp-22290 | Create a supercell with the size 2*1*3. | 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 Mn6Si7Ni16Mn6Si7Ni16Mn6Si7Ni16Mn6Si7Ni16Mn6Si7Ni16Mn6Si7Ni16
_chemical_formula_sum "Mn36 Si42 Ni96"
_cell_length_a 15.60164518
_cell_length_b 7.800822819999999
_cell_length_c 23.40246531
_cell_angle_alpha 60.00417865
_cell_angle_beta 6... |
SuperCellAction | f76b2982-724a-49f1-b1c8-b53461959061 | mp-1304002 | Create a supercell with the size 2x2x2. | 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 Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16
_chemical_formula_sum "Li64 Ni48 Bi16 O128"
_cell_length_a 12.0885802
_cell_length_b 21.07293718
_cell_length_c 12.087135619999998
_cell_angle_al... |
SuperCellAction | e4b99ca9-63ce-47a4-b6c4-540208fa91d0 | mp-1520897 | Create a supercell with the size 2*2*2. | 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 Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6
_chemical_formula_sum "Sr16 Cr8 Bi8 O48"
_cell_length_a 11.57381174
_cell_length_b 11.57381174
_cell_length_c 11.57381174
_cell_angle_alpha 59.99999999999999
_cell_an... |
SuperCellAction | e9648f3e-d6aa-4dc6-aa63-07ecec215630 | mp-1035887 | Create a supercell with the size 1x1x2. | 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 KMg14WO16KMg14WO16
_chemical_formula_sum "K2 Mg28 W2 O32"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 17.575814
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SuperCellAction | 7b452f13-0941-4158-8153-c86728c1a642 | mp-1208371 | Create a supercell with the size 3×1×1. | 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 Tl4N8Cl20O4Tl4N8Cl20O4Tl4N8Cl20O4
_chemical_formula_sum "Tl12 N24 Cl60 O12"
_cell_length_a 23.184669
_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... |
SuperCellAction | 6fdc75b0-3699-4feb-9505-f2d043bc4fa2 | mp-1237973 | Create a supercell with the size 1X2X3. | 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 Y2Mg2S6Y2Mg2S6Y2Mg2S6Y2Mg2S6Y2Mg2S6Y2Mg2S6
_chemical_formula_sum "Y12 Mg12 S36"
_cell_length_a 6.92440926
_cell_length_b 13.84881852
_cell_length_c 20.365289670000003
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle... |
SuperCellAction | ff107495-d678-43f2-addd-9b02f651e27a | mp-570610 | Create a supercell with the size 1*2*1. | 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 Cd13I26Cd13I26
_chemical_formula_sum "Cd26 I52"
_cell_length_a 4.28762948
_cell_length_b 8.57525896
_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 ... |
SuperCellAction | 007601f8-2a7b-4cc8-b928-3175df35bd7f | mp-560404 | Create a supercell with the size 1x2x1. | 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 In4H4Se4O16In4H4Se4O16
_chemical_formula_sum "In8 H8 Se8 O32"
_cell_length_a 5.781556
_cell_length_b 16.37967804
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_sp... |
SuperCellAction | 2d4f2fd4-449f-46b1-9c66-0abb589f9518 | mp-728419 | Create a supercell with the size 1 by 1 by 3. | 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 Cd4C28S12N16Cd4C28S12N16Cd4C28S12N16
_chemical_formula_sum "Cd12 C84 S36 N48"
_cell_length_a 9.557018
_cell_length_b 10.760586
_cell_length_c 42.153903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | 7aead7bc-df53-4e86-804f-3747a0a438ee | mp-754801 | Create a supercell with the size 2×4×1. | 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 Li3Ti6O13Li3Ti6O13Li3Ti6O13Li3Ti6O13Li3Ti6O13Li3Ti6O13Li3Ti6O13Li3Ti6O13
_chemical_formula_sum "Li24 Ti48 O104"
_cell_length_a 12.67943132
_cell_length_b 25.35886264
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta... |
SuperCellAction | 30c002dc-241d-4fc2-8891-c702365052c3 | mp-1199329 | Create a supercell with the size 1X1X3. | 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 Gd4P4H4C8O24Gd4P4H4C8O24Gd4P4H4C8O24
_chemical_formula_sum "Gd12 P12 H12 C24 O72"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 28.45371279
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma... |
SuperCellAction | 58d52f78-7ba1-4c29-b9bc-0607da40775e | mp-756138 | Create a supercell with the size 2*1*1. | 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 Li4V6Sb2O16Li4V6Sb2O16
_chemical_formula_sum "Li8 V12 Sb4 O32"
_cell_length_a 12.07810504
_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
... |
SuperCellAction | 590ce766-0f78-4b65-b080-b99842352800 | mp-616512 | Create a supercell with the size 2*1*4. | 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 Y12Co8Y12Co8Y12Co8Y12Co8Y12Co8Y12Co8Y12Co8Y12Co8
_chemical_formula_sum "Y96 Co64"
_cell_length_a 7.933774
_cell_length_b 9.423694
_cell_length_c 48.902196
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | d386d29e-0674-4567-a9ca-f26fd02d1d4d | mp-24598 | Create a supercell with the size 4X1X2. | 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 Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40
_chemical_formula_sum "Ba32 V32 P64 H128 O320"
_cell_length_a 25.974864
_cell_length_b 10.985219
_cell_length_c 23.1382301
_cell_angle_al... |
SuperCellAction | 748e92fb-85ef-499b-b5bd-2ffa5c2b5434 | mp-566278 | Create a supercell with the size 1x3x1. | 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 W4O12W4O12W4O12
_chemical_formula_sum "W12 O36"
_cell_length_a 3.884952
_cell_length_b 23.066057999999998
_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... |
SuperCellAction | af8c4ca0-02a1-4ea8-ab28-3779e83ce81e | mp-770874 | Create a supercell with the size 3X2X1. | 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 Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32
_chemical_formula_sum "Na72 Co24 P12 C48 O192"
_cell_length_a 29.60360664
_cell_length_b 19.73573776
_cell_length_c 9.86786888
_cell_angle_alpha 59.999999... |
SuperCellAction | f825e005-175c-48e0-8e03-6735d916944c | mp-2053129 | Create a supercell with the size 1x1x4. | 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 Er4As4S4Er4As4S4Er4As4S4Er4As4S4
_chemical_formula_sum "Er16 As16 S16"
_cell_length_a 3.78665465
_cell_length_b 3.81953299
_cell_length_c 67.22908548
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | ca1a5b07-f58a-4649-9359-84661c65b225 | mp-555420 | Create a supercell with the size 1X2X1. | 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 Na8Li8Ti24O56Na8Li8Ti24O56
_chemical_formula_sum "Na16 Li16 Ti48 O112"
_cell_length_a 10.06311714
_cell_length_b 20.12623428
_cell_length_c 11.54493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.43828377
_space... |
SuperCellAction | a0d02dac-2a90-472c-a931-e2e24c84851c | mp-1105068 | Create a supercell with the size 3X1X2. | 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 BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7
_chemical_formula_sum "Ba6 Y6 Fe24 O42"
_cell_length_a 19.42473735
_cell_length_b 6.47491245
_cell_length_c 12.949824900000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.4558725... |
SuperCellAction | e29dca4b-c3e2-4013-bac1-c19e9eb86f2b | mp-18672 | Create a supercell with the size 1 by 3 by 1. | 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 Cs2Dy4Cu6Se10Cs2Dy4Cu6Se10Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs6 Dy12 Cu18 Se30"
_cell_length_a 7.63432858
_cell_length_b 22.90298574
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.5384... |
SuperCellAction | cc9d8907-93c7-4f79-b52b-440b9c7d1ff5 | mp-772660 | Create a supercell with the size 3×2×1. | 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 Nb4Cr4O16Nb4Cr4O16Nb4Cr4O16Nb4Cr4O16Nb4Cr4O16Nb4Cr4O16
_chemical_formula_sum "Nb24 Cr24 O96"
_cell_length_a 13.556208600000001
_cell_length_b 23.23546436
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.99896... |
SuperCellAction | 75f3fb08-7c3f-4ae7-b113-abf63a13dd77 | mp-1031226 | Create a supercell with the size 1X4X2. | 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 RbMg6TiO8RbMg6TiO8RbMg6TiO8RbMg6TiO8RbMg6TiO8RbMg6TiO8RbMg6TiO8RbMg6TiO8
_chemical_formula_sum "Rb8 Mg48 Ti8 O64"
_cell_length_a 8.65829641
_cell_length_b 18.44178108
_cell_length_c 9.22089054
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | 990e1e61-5826-496b-8b88-2c6f88ca1a64 | mp-1212834 | Create a supercell with the size 1*4*1. | 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 Gd4Ni4Pb4Gd4Ni4Pb4Gd4Ni4Pb4Gd4Ni4Pb4
_chemical_formula_sum "Gd16 Ni16 Pb16"
_cell_length_a 4.572982
_cell_length_b 29.11528908
_cell_length_c 7.7671560600000005
_cell_angle_alpha 89.95544366999998
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 44305890-19b2-44bf-b069-44685b3c3f35 | mp-1224332 | Create a supercell with the size 1×3×2. | 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 InAs4Pd15InAs4Pd15InAs4Pd15InAs4Pd15InAs4Pd15InAs4Pd15
_chemical_formula_sum "In6 As24 Pd90"
_cell_length_a 18.47709191
_cell_length_b 55.43127573
_cell_length_c 36.95418442
_cell_angle_alpha 13.853155030000023
_cell_angle_beta 13.8531... |
SuperCellAction | 7988b7e3-4b84-4db5-b782-e6825702a2f3 | mp-1026902 | Create a supercell with the size 2*1*4. | 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 Mg14CuBMg14CuBMg14CuBMg14CuBMg14CuBMg14CuBMg14CuBMg14CuB
_chemical_formula_sum "Mg112 Cu8 B8"
_cell_length_a 12.43860654
_cell_length_b 6.273270720000001
_cell_length_c 39.94223324
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 984555ea-91eb-4afb-8c1d-2d7f960b809d | mp-1228475 | Create a supercell with the size 1x2x3. | 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 Ba10Mn2Co8O28Ba10Mn2Co8O28Ba10Mn2Co8O28Ba10Mn2Co8O28Ba10Mn2Co8O28Ba10Mn2Co8O28
_chemical_formula_sum "Ba60 Mn12 Co48 O168"
_cell_length_a 5.789929
_cell_length_b 20.033214
_cell_length_c 36.269049300000006
_cell_angle_alpha 89.94737559
_ce... |
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