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 | bff7f88a-bbe0-4c1a-9b3b-771f98f19d8e | mp-1193899 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Ta8Fe8Si14
_chemical_formula_sum "Ta8 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_space_gr... | data_image0
_chemical_formula_structural Ta8Fe8Si14Ta8Fe8Si14Ta8Fe8Si14Ta8Fe8Si14Ta8Fe8Si14Ta8Fe8Si14
_chemical_formula_sum "Ta48 Fe48 Si84"
_cell_length_a 27.682887029999996
_cell_length_b 9.22762901
_cell_length_c 18.45525802
_cell_angle_alpha 94.22080954
_cell_angle_beta 9... |
SuperCellAction | 252b7b52-4e0c-46b9-bd2c-f52d7d89bf02 | mp-559593 | Create a supercell with the size 4 by 2 by 1. | 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 P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6
_chemical_formula_sum "P24 S72 N120 F48"
_cell_length_a 46.11409556
_cell_length_b 23.05704778
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_ang... |
SuperCellAction | ebcf3173-48ad-44ce-8f07-0b050e79f1e6 | mp-757606 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16Li4Ni4P4O16Li4Ni4P4O16
_chemical_formula_sum "Li12 Ni12 P12 O48"
_cell_length_a 5.49464502
_cell_length_b 18.718833240000006
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_a... |
SuperCellAction | e0e86515-92c5-44c7-8484-e736a5b03f55 | mp-1040980 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Mg4Cu8Bi8O32
_chemical_formula_sum "Mg4 Cu8 Bi8 O32"
_cell_length_a 8.571267
_cell_length_b 6.429923
_cell_length_c 13.771039649999999
_cell_angle_alpha 86.64248043000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Mg4Cu8Bi8O32Mg4Cu8Bi8O32Mg4Cu8Bi8O32Mg4Cu8Bi8O32Mg4Cu8Bi8O32Mg4Cu8Bi8O32Mg4Cu8Bi8O32Mg4Cu8Bi8O32
_chemical_formula_sum "Mg32 Cu64 Bi64 O256"
_cell_length_a 17.142534
_cell_length_b 12.859846
_cell_length_c 27.542079299999997
_cell_angle_alpha... |
SuperCellAction | e7dae5a6-fb30-4fd5-8bee-8a7eab0ae0de | mp-1227512 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 Bi8Se6S6Bi8Se6S6Bi8Se6S6Bi8Se6S6Bi8Se6S6Bi8Se6S6
_chemical_formula_sum "Bi48 Se36 S36"
_cell_length_a 4.10931
_cell_length_b 22.84759
_cell_length_c 35.5719
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 812d3e41-2895-4021-9acb-eda4681f71b7 | mp-779625 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Li16Mn8P12O48
_chemical_formula_sum "Li16 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li16Mn8P12O48Li16Mn8P12O48Li16Mn8P12O48
_chemical_formula_sum "Li48 Mn24 P36 O144"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 44.80458612
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | 45aa8cfb-1fb1-4908-accc-4ddb4298db15 | mp-1356795 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn6Bi4P4O24Zn6Bi4P4O24
_chemical_formula_sum "Zn12 Bi8 P8 O48"
_cell_length_a 10.506708
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | ee0867eb-2ac4-4359-a376-2f4343cc9468 | mp-1303460 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... | data_image0
_chemical_formula_structural Li4Co4C8O24Li4Co4C8O24Li4Co4C8O24Li4Co4C8O24
_chemical_formula_sum "Li16 Co16 C32 O96"
_cell_length_a 6.49385373
_cell_length_b 18.70742422
_cell_length_c 18.70548064
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.8014441899... |
SuperCellAction | 52aa3f82-29fd-41ee-83ff-0b3e67c6924d | mp-1198945 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Mg4B8H24
_chemical_formula_sum "Mg4 B8 H24"
_cell_length_a 7.779874
_cell_length_b 7.976890849999999
_cell_length_c 8.81460468
_cell_angle_alpha 92.17178982
_cell_angle_beta 93.77056033
_cell_angle_gamma 92.90075256
_space_group_na... | data_image0
_chemical_formula_structural Mg4B8H24Mg4B8H24
_chemical_formula_sum "Mg8 B16 H48"
_cell_length_a 7.779874
_cell_length_b 7.976890849999999
_cell_length_c 17.62920936
_cell_angle_alpha 92.17178982
_cell_angle_beta 93.77056033
_cell_angle_gamma 92.90075256
_spac... |
SuperCellAction | e693a3ad-f39b-4cc3-880f-03ba5f80687a | mp-1331651 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16Li4Mn3V3Sb2O16Li4Mn3V3Sb2O16Li4Mn3V3Sb2O16Li4Mn3V3Sb2O16Li4Mn3V3Sb2O16
_chemical_formula_sum "Li24 Mn18 V18 Sb12 O96"
_cell_length_a 5.93637
_cell_length_b 18.20583516
_cell_length_c 19.58164642
_cell_angle_alpha 91.6773613
_... |
SuperCellAction | 5242973a-681d-40e8-99e0-88413747d88e | mp-555792 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O12Na2Os4O12Na2Os4O12
_chemical_formula_sum "Na6 Os12 O36"
_cell_length_a 7.20794247
_cell_length_b 21.62382741
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
SuperCellAction | e8a565a2-967b-4149-9858-91d0f8693d91 | mp-35143 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6
_chemical_formula_sum "Ba16 Nb16 S48"
_cell_length_a 13.90531218
_cell_length_b 13.90531036
_cell_length_c 11.47165402
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 1d7a5930-22d1-4656-9360-194b280e9e22 | mp-1197620 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K12As4P12Se36K12As4P12Se36K12As4P12Se36K12As4P12Se36K12As4P12Se36K12As4P12Se36K12As4P12Se36K12As4P12Se36
_chemical_formula_sum "K96 As32 P96 Se288"
_cell_length_a 23.45433502
_cell_length_b 32.89190052
_cell_length_c 24.66801592
_cell_angle_a... |
SuperCellAction | e1c9d93c-359b-4220-a870-cec07172a49e | mp-1245330 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Fe28Ge4N24
_chemical_formula_sum "Fe28 Ge4 N24"
_cell_length_a 8.086777
_cell_length_b 6.339445
_cell_length_c 10.707882
_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 Fe28Ge4N24Fe28Ge4N24Fe28Ge4N24Fe28Ge4N24Fe28Ge4N24Fe28Ge4N24Fe28Ge4N24Fe28Ge4N24
_chemical_formula_sum "Fe224 Ge32 N192"
_cell_length_a 16.173554
_cell_length_b 12.67889
_cell_length_c 21.415764
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 013d8369-a0fa-4e4c-9d3e-b597d2b2eba3 | mp-1048419 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Mg4Ta2Nb4O16
_chemical_formula_sum "Mg4 Ta2 Nb4 O16"
_cell_length_a 5.230123
_cell_length_b 5.982446959999999
_cell_length_c 10.004586360000001
_cell_angle_alpha 103.85833502
_cell_angle_beta 93.27404124
_cell_angle_gamma 91.7195298... | data_image0
_chemical_formula_structural Mg4Ta2Nb4O16Mg4Ta2Nb4O16Mg4Ta2Nb4O16Mg4Ta2Nb4O16Mg4Ta2Nb4O16Mg4Ta2Nb4O16
_chemical_formula_sum "Mg24 Ta12 Nb24 O96"
_cell_length_a 10.460246
_cell_length_b 17.94734088
_cell_length_c 10.004586360000001
_cell_angle_alpha 103.85833502
_cell_... |
SuperCellAction | 2e53a7fd-02c7-4834-a707-56e00f0774cf | mp-1508 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural La8S16La8S16La8S16La8S16La8S16La8S16La8S16La8S16
_chemical_formula_sum "La64 S128"
_cell_length_a 8.31854654
_cell_length_b 32.70893496
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | c0d98a28-f403-4b66-a768-ce828e3f480f | mp-1209038 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Sm12Co4Sn2
_chemical_formula_sum "Sm12 Co4 Sn2"
_cell_length_a 8.5812899
_cell_length_b 8.5812899
_cell_length_c 8.5812899
_cell_angle_alpha 112.26447806
_cell_angle_beta 109.44771758
_cell_angle_gamma 106.74848574
_space_group_nam... | data_image0
_chemical_formula_structural Sm12Co4Sn2Sm12Co4Sn2Sm12Co4Sn2Sm12Co4Sn2Sm12Co4Sn2Sm12Co4Sn2
_chemical_formula_sum "Sm72 Co24 Sn12"
_cell_length_a 25.743869699999998
_cell_length_b 8.5812899
_cell_length_c 17.1625798
_cell_angle_alpha 112.26447806
_cell_angle_beta 10... |
SuperCellAction | b95cc85b-a5c4-4bd5-82f1-e03b82669ec4 | mp-781738 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O32Na12V4B8S2O32Na12V4B8S2O32Na12V4B8S2O32
_chemical_formula_sum "Na48 V16 B32 S8 O128"
_cell_length_a 19.87087434
_cell_length_b 19.87087434
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.9... |
SuperCellAction | 5a1c0b8c-2bc2-43ce-b40a-fc9e028411a7 | mp-1175308 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... | data_image0
_chemical_formula_structural Li14Mn10O24Li14Mn10O24Li14Mn10O24
_chemical_formula_sum "Li42 Mn30 O72"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 23.3735142
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gam... |
SuperCellAction | 957dc268-1c9f-455e-83d1-044ef8573d40 | mp-554397 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Si8O16
_chemical_formula_sum "Si8 O16"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Si8O16Si8O16Si8O16Si8O16Si8O16Si8O16Si8O16Si8O16
_chemical_formula_sum "Si64 O128"
_cell_length_a 9.438318
_cell_length_b 7.122919
_cell_length_c 39.098988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | e5f9c210-c673-430d-9770-743a86f5a722 | mp-559558 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Cu12P32S24Cl12
_chemical_formula_sum "Cu12 P32 S24 Cl12"
_cell_length_a 6.354919
_cell_length_b 11.60933
_cell_length_c 26.560462
_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 Cu12P32S24Cl12Cu12P32S24Cl12Cu12P32S24Cl12Cu12P32S24Cl12Cu12P32S24Cl12Cu12P32S24Cl12
_chemical_formula_sum "Cu72 P192 S144 Cl72"
_cell_length_a 6.354919
_cell_length_b 34.82799
_cell_length_c 53.120924
_cell_angle_alpha 90.0
_cell_angle_be... |
SuperCellAction | 49e4b2b5-12cc-407f-b813-abdd57fc59ae | mp-685281 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6
_chemical_formula_sum "Ti6 Zn6 H72 O36 F36"
_cell_length_a 13.04440984
_cell_length_b 6.52220492
_cell_length_c 19.566617100000002
_cell_angle_alpha 95.56394999
_cell_angle... |
SuperCellAction | 5590fc14-624a-4f88-ac2b-39603f297feb | mp-1019732 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Eu4Al8O16
_chemical_formula_sum "Eu4 Al8 O16"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu4Al8O16Eu4Al8O16Eu4Al8O16Eu4Al8O16
_chemical_formula_sum "Eu16 Al32 O64"
_cell_length_a 8.78679975
_cell_length_b 20.63595932
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | ee03b071-4b0e-463a-9032-aff34891d620 | mp-1173626 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4C2O10Nd4C2O10Nd4C2O10Nd4C2O10Nd4C2O10Nd4C2O10
_chemical_formula_sum "Nd24 C12 O60"
_cell_length_a 4.03349494
_cell_length_b 12.10048542
_cell_length_c 31.37644928
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121... |
SuperCellAction | 6f295ff3-4172-4a0c-b1bd-7f26f5caceaa | mp-760977 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_group_... | data_image0
_chemical_formula_structural Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10
_chemical_formula_sum "Ni36 O12 F60"
_cell_length_a 9.37797348
_cell_length_b 14.06720265
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cel... |
SuperCellAction | aa8f63b2-d6c6-4ff1-a0da-ead0b5298690 | mp-1229279 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Ba4Se4S16O31
_chemical_formula_sum "Ba4 Se4 S16 O31"
_cell_length_a 10.734121
_cell_length_b 5.333838
_cell_length_c 22.147670509999998
_cell_angle_alpha 89.93004263
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba4Se4S16O31Ba4Se4S16O31Ba4Se4S16O31Ba4Se4S16O31Ba4Se4S16O31Ba4Se4S16O31
_chemical_formula_sum "Ba24 Se24 S96 O186"
_cell_length_a 10.734121
_cell_length_b 16.001514
_cell_length_c 44.295341019999995
_cell_angle_alpha 89.93004263
_cell_ang... |
SuperCellAction | c4dcb909-09fd-4d01-9b4b-21d2aef035f2 | mp-8825 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Pr24O44
_chemical_formula_sum "Pr24 O44"
_cell_length_a 6.916873
_cell_length_b 12.26425233
_cell_length_c 13.453490299999999
_cell_angle_alpha 89.09660662
_cell_angle_beta 78.27549531
_cell_angle_gamma 89.56569399
_space_group_nam... | data_image0
_chemical_formula_structural Pr24O44Pr24O44Pr24O44
_chemical_formula_sum "Pr72 O132"
_cell_length_a 6.916873
_cell_length_b 36.792756989999994
_cell_length_c 13.453490299999999
_cell_angle_alpha 89.09660662
_cell_angle_beta 78.27549531
_cell_angle_gamma 89.5656... |
SuperCellAction | 7b822768-9694-4a27-afd6-de8f294813ae | mp-1176400 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Na8Li4Fe4P4C4O28
_chemical_formula_sum "Na8 Li4 Fe4 P4 C4 O28"
_cell_length_a 6.675617
_cell_length_b 8.84358954
_cell_length_c 10.33512443
_cell_angle_alpha 91.98489603
_cell_angle_beta 90.26083077
_cell_angle_gamma 91.11467526
_s... | data_image0
_chemical_formula_structural Na8Li4Fe4P4C4O28Na8Li4Fe4P4C4O28Na8Li4Fe4P4C4O28Na8Li4Fe4P4C4O28Na8Li4Fe4P4C4O28Na8Li4Fe4P4C4O28Na8Li4Fe4P4C4O28Na8Li4Fe4P4C4O28
_chemical_formula_sum "Na64 Li32 Fe32 P32 C32 O224"
_cell_length_a 6.675617
_cell_length_b 35.37435816
_cell_length_c ... |
SuperCellAction | 969783aa-1f00-487e-9ec6-db6c6cef4bc0 | mp-1246580 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Ca6Mo4N8
_chemical_formula_sum "Ca6 Mo4 N8"
_cell_length_a 7.04236519
_cell_length_b 8.55334875
_cell_length_c 5.502879380000001
_cell_angle_alpha 90.00000168999999
_cell_angle_beta 90.58006323
_cell_angle_gamma 127.39295567999999
... | data_image0
_chemical_formula_structural Ca6Mo4N8Ca6Mo4N8Ca6Mo4N8Ca6Mo4N8
_chemical_formula_sum "Ca24 Mo16 N32"
_cell_length_a 28.16946076
_cell_length_b 8.55334875
_cell_length_c 5.502879380000001
_cell_angle_alpha 90.00000168999999
_cell_angle_beta 90.58006323
_cell_angle_g... |
SuperCellAction | f436c40c-62e3-44e1-9a94-9a2dc553c438 | mp-1220408 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Nb4Al4Zn4
_chemical_formula_sum "Nb4 Al4 Zn4"
_cell_length_a 5.02221354
_cell_length_b 5.02226131
_cell_length_c 8.31295142
_cell_angle_alpha 90.00046036
_cell_angle_beta 90.00048932
_cell_angle_gamma 60.6792737
_space_group_name_H... | data_image0
_chemical_formula_structural Nb4Al4Zn4Nb4Al4Zn4Nb4Al4Zn4Nb4Al4Zn4Nb4Al4Zn4Nb4Al4Zn4Nb4Al4Zn4Nb4Al4Zn4
_chemical_formula_sum "Nb32 Al32 Zn32"
_cell_length_a 20.08885416
_cell_length_b 10.04452262
_cell_length_c 8.31295142
_cell_angle_alpha 90.00046036
_cell_angle_beta ... |
SuperCellAction | 703c4356-a5da-44eb-aaee-78d8bbfc153a | mp-557123 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32
_chemical_formula_sum "Na64 Cu32 Si96 O256"
_cell_length_a 20.821114
_cell_length_b 32.051248
_cell_length_c 9.73027488
_cell_angle_alpha... |
SuperCellAction | f0cc81cf-53a6-49b3-8a69-d7d3399dc987 | mp-726261 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Cu2C6N4O10
_chemical_formula_sum "Cu2 C6 N4 O10"
_cell_length_a 6.950721
_cell_length_b 7.11348608
_cell_length_c 8.65397866
_cell_angle_alpha 105.43300671
_cell_angle_beta 90.64948244
_cell_angle_gamma 112.19062950999998
_space_gr... | data_image0
_chemical_formula_structural Cu2C6N4O10Cu2C6N4O10Cu2C6N4O10
_chemical_formula_sum "Cu6 C18 N12 O30"
_cell_length_a 6.950721
_cell_length_b 21.34045824
_cell_length_c 8.65397866
_cell_angle_alpha 105.43300671
_cell_angle_beta 90.64948244
_cell_angle_gamma 112.19... |
SuperCellAction | e94af1c4-dc7f-4346-bdb1-4922429cd584 | mp-849779 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Li4Si24Bi4O56
_chemical_formula_sum "Li4 Si24 Bi4 O56"
_cell_length_a 13.1493043
_cell_length_b 13.1493043
_cell_length_c 13.1493043
_cell_angle_alpha 146.13628062999996
_cell_angle_beta 107.23526540999998
_cell_angle_gamma 82.72329... | data_image0
_chemical_formula_structural Li4Si24Bi4O56Li4Si24Bi4O56Li4Si24Bi4O56Li4Si24Bi4O56
_chemical_formula_sum "Li16 Si96 Bi16 O224"
_cell_length_a 26.2986086
_cell_length_b 13.1493043
_cell_length_c 26.2986086
_cell_angle_alpha 146.13628062999996
_cell_angle_beta 107.23... |
SuperCellAction | 0c2ba6fc-3f3e-4086-8ae2-cd3a5e1c6f2a | mp-1029422 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6
_chemical_formula_sum "Nb16 Zn32 N48"
_cell_length_a 11.38259948
_cell_length_b 11.53050236
_cell_length_c 10.77863858
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 88d36f49-b424-41c5-a2d9-577ff542d62b | mp-758458 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4V4P16O48Li4V4P16O48
_chemical_formula_sum "Li8 V8 P32 O96"
_cell_length_a 8.879103
_cell_length_b 14.294014
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | a6c32247-1c9f-4169-944b-8d643e9df6e9 | mp-1048875 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Mn4Zn2O8
_chemical_formula_sum "Mn4 Zn2 O8"
_cell_length_a 6.07409152
_cell_length_b 6.07409152
_cell_length_c 6.07409219
_cell_angle_alpha 60.19765702000001
_cell_angle_beta 60.19765702000001
_cell_angle_gamma 60.19766422000001
_s... | data_image0
_chemical_formula_structural Mn4Zn2O8Mn4Zn2O8Mn4Zn2O8Mn4Zn2O8Mn4Zn2O8Mn4Zn2O8
_chemical_formula_sum "Mn24 Zn12 O48"
_cell_length_a 12.14818304
_cell_length_b 18.22227456
_cell_length_c 6.07409219
_cell_angle_alpha 60.19765702000001
_cell_angle_beta 60.197657020000... |
SuperCellAction | b9edfe70-df19-4cab-b27b-8972e17a2928 | mp-571288 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... | data_image0
_chemical_formula_structural K2Ta2Ag4Se8K2Ta2Ag4Se8K2Ta2Ag4Se8
_chemical_formula_sum "K6 Ta6 Ag12 Se24"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 25.127397000000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 0af9a8a2-d763-4a91-b14a-241e8bd1cddf | mp-1112206 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2GaHgI6K2GaHgI6K2GaHgI6K2GaHgI6K2GaHgI6K2GaHgI6K2GaHgI6K2GaHgI6
_chemical_formula_sum "K16 Ga8 Hg8 I48"
_cell_length_a 33.6001586
_cell_length_b 8.40003965
_cell_length_c 16.8000793
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | 60f64f87-4840-473d-a632-635dec021213 | mp-1214552 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural Ba8Cu6Si40Ba8Cu6Si40Ba8Cu6Si40Ba8Cu6Si40
_chemical_formula_sum "Ba32 Cu24 Si160"
_cell_length_a 41.37449984
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_an... |
SuperCellAction | 64e90e3d-a787-447d-81a5-6bf4c38e6e1e | mp-1247313 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12Zn16Ag4N12Zn16Ag4N12Zn16Ag4N12Zn16Ag4N12Zn16Ag4N12
_chemical_formula_sum "Zn96 Ag24 N72"
_cell_length_a 7.08364552
_cell_length_b 20.371735949999998
_cell_length_c 22.60248628
_cell_angle_alpha 92.11266917
_cell_angle_beta 94... |
SuperCellAction | ac7adbf0-960f-4c52-8eaa-99598d0c18fb | mp-572465 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24
_chemical_formula_sum "Cr32 Cu32 P64 S192"
_cell_length_a 10.378013
_cell_length_b 11.970732
_cell_length_c 58.121733
_cell_angle_alpha 74.92798852
_c... |
SuperCellAction | 44e9f5d0-14b9-449f-8c32-9472570e5192 | mp-1216973 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Tm14Mg6Ge16Tm14Mg6Ge16Tm14Mg6Ge16
_chemical_formula_sum "Tm42 Mg18 Ge48"
_cell_length_a 21.266658
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 4787d3e3-5aee-4f85-9824-293acdd4dcc9 | mp-580962 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb2C4I6N4Rb2C4I6N4Rb2C4I6N4Rb2C4I6N4Rb2C4I6N4Rb2C4I6N4Rb2C4I6N4Rb2C4I6N4
_chemical_formula_sum "Rb16 C32 I48 N32"
_cell_length_a 9.224902
_cell_length_b 14.724504
_cell_length_c 32.189652
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | 7a0cd6cb-bf6a-47a9-841b-b4cf69880aab | mp-885434 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... | data_image0
_chemical_formula_structural K2Li4Fe2O6K2Li4Fe2O6K2Li4Fe2O6
_chemical_formula_sum "K6 Li12 Fe6 O18"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 18.45300414
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_ga... |
SuperCellAction | 63b5323f-a9e4-4fb2-b990-19081d96663e | mp-20014 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_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 Al4V4Mo4O28Al4V4Mo4O28Al4V4Mo4O28Al4V4Mo4O28Al4V4Mo4O28Al4V4Mo4O28Al4V4Mo4O28Al4V4Mo4O28
_chemical_formula_sum "Al32 V32 Mo32 O224"
_cell_length_a 21.805996
_cell_length_b 16.60995
_cell_length_c 12.961972
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | 784a9a08-117b-47a1-b6d9-2c04e8ca6958 | mp-557900 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36
_chemical_formula_sum "Sb16 C16 S16 Cl32 F144"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 50.999469319999996
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_... |
SuperCellAction | eeec6fb3-1716-4b1c-aad1-4d0ccdea8d8c | mp-1219949 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16
_chemical_formula_sum "Pr12 Al6 Fe96"
_cell_length_a 19.41647928
_cell_length_b 6.47215976
_cell_length_c 12.944319180000003
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82... |
SuperCellAction | 3de22030-444f-4f96-b9c0-0e3254a1abff | mp-1075693 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999994
_... | data_image0
_chemical_formula_structural Mg10Si18Mg10Si18Mg10Si18
_chemical_formula_sum "Mg30 Si54"
_cell_length_a 7.606799
_cell_length_b 23.00589732
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.48002469... |
SuperCellAction | 3d426b30-0f6d-4ca5-bf30-b2f4202ec775 | mp-1101787 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si10La2Si10La2Si10
_chemical_formula_sum "La6 Si30"
_cell_length_a 23.4085665
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.6... |
SuperCellAction | 8500e642-261a-4e46-86ac-906d1fb94257 | mp-1003545 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... | data_image0
_chemical_formula_structural MgMn4O8MgMn4O8
_chemical_formula_sum "Mg2 Mn8 O16"
_cell_length_a 10.559336
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
... |
SuperCellAction | ba5b7cfb-290f-4437-8079-fad6a671dafb | mp-1304002 | Create a supercell with the size 2x1x3. | 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 Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16
_chemical_formula_sum "Li48 Ni36 Bi12 O96"
_cell_length_a 12.0885802
_cell_length_b 10.53646859
_cell_length_c 18.13070343
_cell_angle_alpha 89.93949378
_cell_angle_b... |
SuperCellAction | b5957d21-5918-4927-bb9a-0056d7c6b78d | mp-1110899 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6K2LiSbBr6K2LiSbBr6K2LiSbBr6
_chemical_formula_sum "K8 Li4 Sb4 Br24"
_cell_length_a 15.64684472
_cell_length_b 15.64684472
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
... |
SuperCellAction | b420f18c-e93d-4ba4-bcc5-ff5fbf4d03bf | mp-1236786 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Rb3LiTbV2O8
_chemical_formula_sum "Rb3 Li1 Tb1 V2 O8"
_cell_length_a 5.97403382
_cell_length_b 5.97403382
_cell_length_c 9.136743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999801
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb3LiTbV2O8Rb3LiTbV2O8
_chemical_formula_sum "Rb6 Li2 Tb2 V4 O16"
_cell_length_a 5.97403382
_cell_length_b 11.94806764
_cell_length_c 9.136743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999801
_space_group... |
SuperCellAction | 11a5c94d-8b6a-4d13-985e-6b571aa1d750 | mp-2229527 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural MgV2S4N6Cl4
_chemical_formula_sum "Mg1 V2 S4 N6 Cl4"
_cell_length_a 5.82992381
_cell_length_b 7.542384219999999
_cell_length_c 8.391765299999998
_cell_angle_alpha 93.86912929000002
_cell_angle_beta 98.64564997
_cell_angle_gamma 111.... | data_image0
_chemical_formula_structural MgV2S4N6Cl4MgV2S4N6Cl4MgV2S4N6Cl4MgV2S4N6Cl4MgV2S4N6Cl4MgV2S4N6Cl4MgV2S4N6Cl4MgV2S4N6Cl4
_chemical_formula_sum "Mg8 V16 S32 N48 Cl32"
_cell_length_a 11.65984762
_cell_length_b 7.542384219999999
_cell_length_c 33.56706119999999
_cell_angle_alp... |
SuperCellAction | 5faa2fe2-8762-40e5-85e4-65a81f8b8706 | mp-3276 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... | data_image0
_chemical_formula_structural Nb8Cr4Si10Nb8Cr4Si10Nb8Cr4Si10Nb8Cr4Si10Nb8Cr4Si10Nb8Cr4Si10
_chemical_formula_sum "Nb48 Cr24 Si60"
_cell_length_a 9.38583208
_cell_length_b 28.15749624
_cell_length_c 18.77166416
_cell_angle_alpha 149.36626784
_cell_angle_beta 130.272... |
SuperCellAction | b5c818ed-2d45-4866-9116-42cf8d12c929 | mp-1209674 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Rb4Er4S8O36
_chemical_formula_sum "Rb4 Er4 S8 O36"
_cell_length_a 8.557369
_cell_length_b 10.59367819
_cell_length_c 10.1539343
_cell_angle_alpha 120.17599367000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Rb4Er4S8O36Rb4Er4S8O36Rb4Er4S8O36Rb4Er4S8O36Rb4Er4S8O36Rb4Er4S8O36Rb4Er4S8O36Rb4Er4S8O36
_chemical_formula_sum "Rb32 Er32 S64 O288"
_cell_length_a 34.229476
_cell_length_b 21.18735638
_cell_length_c 10.1539343
_cell_angle_alpha 120.1759936... |
SuperCellAction | f8f2f949-bdef-4cbd-baf6-050b6eb970a5 | mp-1046822 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Mg4Nb4Mo2O16
_chemical_formula_sum "Mg4 Nb4 Mo2 O16"
_cell_length_a 10.20057655
_cell_length_b 10.20057655
_cell_length_c 5.3367818399999996
_cell_angle_alpha 89.64553634000002
_cell_angle_beta 89.64553634000002
_cell_angle_gamma 34... | data_image0
_chemical_formula_structural Mg4Nb4Mo2O16Mg4Nb4Mo2O16Mg4Nb4Mo2O16Mg4Nb4Mo2O16Mg4Nb4Mo2O16Mg4Nb4Mo2O16
_chemical_formula_sum "Mg24 Nb24 Mo12 O96"
_cell_length_a 10.20057655
_cell_length_b 30.601729649999996
_cell_length_c 10.673563679999999
_cell_angle_alpha 89.6455363... |
SuperCellAction | 5c48fced-23c3-4ad8-8d35-e55179205cef | mp-680260 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Ti45Se16
_chemical_formula_sum "Ti45 Se16"
_cell_length_a 3.46536314
_cell_length_b 16.45968269
_cell_length_c 17.78670843
_cell_angle_alpha 91.56831076999998
_cell_angle_beta 95.59008839999998
_cell_angle_gamma 90.00577845
_space_... | data_image0
_chemical_formula_structural Ti45Se16Ti45Se16Ti45Se16Ti45Se16
_chemical_formula_sum "Ti180 Se64"
_cell_length_a 13.86145256
_cell_length_b 16.45968269
_cell_length_c 17.78670843
_cell_angle_alpha 91.56831076999998
_cell_angle_beta 95.59008839999998
_cell_angle_gam... |
SuperCellAction | 32be9ec0-1211-42fd-919f-213647d9a6f8 | mp-756331 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... | data_image0
_chemical_formula_structural Li4Ti3Co5O16Li4Ti3Co5O16Li4Ti3Co5O16Li4Ti3Co5O16Li4Ti3Co5O16Li4Ti3Co5O16Li4Ti3Co5O16Li4Ti3Co5O16
_chemical_formula_sum "Li32 Ti24 Co40 O128"
_cell_length_a 22.90740416
_cell_length_b 11.453702079999998
_cell_length_c 9.31004518
_cell_angle_al... |
SuperCellAction | 92be11a3-3b98-4b95-b9fd-0f79cd930d56 | mp-1227411 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba16 Sr16 Ni16 W16 O96"
_cell_length_a 11.46879822
_cell_length_b 5.73435315
_cell_length_c 39.7285648
_ce... |
SuperCellAction | 07fdb74c-e57e-4797-92e2-37e7a8cf2ba8 | mp-1029771 | Create a supercell with the size 4*2*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 Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12
_chemical_formula_sum "Ca64 Re32 N96"
_cell_length_a 24.26139748
_cell_length_b 21.51511252
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta ... |
SuperCellAction | 09dc6fbb-4051-4544-91f7-2e43f9d79c09 | mp-863407 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Li12Fe6Si12O36
_chemical_formula_sum "Li12 Fe6 Si12 O36"
_cell_length_a 7.188922
_cell_length_b 9.89052
_cell_length_c 10.284294
_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 Li12Fe6Si12O36Li12Fe6Si12O36Li12Fe6Si12O36Li12Fe6Si12O36Li12Fe6Si12O36Li12Fe6Si12O36
_chemical_formula_sum "Li72 Fe36 Si72 O216"
_cell_length_a 7.188922
_cell_length_b 29.67156
_cell_length_c 20.568588
_cell_angle_alpha 90.0
_cell_angle_be... |
SuperCellAction | d42351e2-66c2-41a1-9093-450b5729df0c | mp-625502 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... | data_image0
_chemical_formula_structural H4W4O14H4W4O14H4W4O14H4W4O14
_chemical_formula_sum "H16 W16 O56"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 29.41282008
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma ... |
SuperCellAction | d585a71a-876d-42b6-b551-f878b5de7e7a | mp-1189241 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Gd4As8Au4Gd4As8Au4
_chemical_formula_sum "Gd8 As16 Au8"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 41.008438
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_al... |
SuperCellAction | aaa1af21-a13c-4c7e-82d1-264406329438 | mp-1304294 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Li3Mn2CoO6
_chemical_formula_sum "Li3 Mn2 Co1 O6"
_cell_length_a 5.23924799
_cell_length_b 5.25225266
_cell_length_c 5.10120777
_cell_angle_alpha 59.026436149999995
_cell_angle_beta 101.16203305000002
_cell_angle_gamma 112.05130355
... | data_image0
_chemical_formula_structural Li3Mn2CoO6Li3Mn2CoO6Li3Mn2CoO6Li3Mn2CoO6
_chemical_formula_sum "Li12 Mn8 Co4 O24"
_cell_length_a 5.23924799
_cell_length_b 21.00901064
_cell_length_c 5.10120777
_cell_angle_alpha 59.026436149999995
_cell_angle_beta 101.16203305000002
_... |
SuperCellAction | 3d26fedf-96d5-403d-b97a-2304809ef01b | mp-1220773 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ni43Ge3B12
_chemical_formula_sum "Ni43 Ge3 B12"
_cell_length_a 12.81606664
_cell_length_b 12.816066640000003
_cell_length_c 12.81606681
_cell_angle_alpha 33.555098560000026
_cell_angle_beta 33.55509856000001
_cell_angle_gamma 33.555... | data_image0
_chemical_formula_structural Ni43Ge3B12Ni43Ge3B12Ni43Ge3B12Ni43Ge3B12Ni43Ge3B12Ni43Ge3B12
_chemical_formula_sum "Ni258 Ge18 B72"
_cell_length_a 12.81606664
_cell_length_b 25.632133280000005
_cell_length_c 38.44820043000001
_cell_angle_alpha 33.555098560000026
_cell_an... |
SuperCellAction | 9da154c3-3390-46aa-8219-cc50b2463933 | mp-1246779 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12
_chemical_formula_sum "Ba60 Hf24 N72"
_cell_length_a 13.52131626
_cell_length_b 22.427798069999998
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 9... |
SuperCellAction | 012c0e11-5b6c-4898-9942-c51d08b131fd | mp-11639 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S6Rb4Ge2S6
_chemical_formula_sum "Rb8 Ge4 S12"
_cell_length_a 6.94579339
_cell_length_b 15.21359596
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662... |
SuperCellAction | 6cc41bdd-4b74-444f-81f2-59c6791ee62b | mp-697575 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 Rb8Zn4H16Rb8Zn4H16Rb8Zn4H16
_chemical_formula_sum "Rb24 Zn12 H48"
_cell_length_a 6.00913377
_cell_length_b 24.402295170000002
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | 1a840a58-5b42-4a9c-975a-45ff1fec1916 | mp-1200784 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Sn2H12Cl4O22
_chemical_formula_sum "Sn2 H12 Cl4 O22"
_cell_length_a 7.26600482
_cell_length_b 7.26600482
_cell_length_c 9.984168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000751
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sn2H12Cl4O22Sn2H12Cl4O22Sn2H12Cl4O22Sn2H12Cl4O22Sn2H12Cl4O22Sn2H12Cl4O22Sn2H12Cl4O22Sn2H12Cl4O22
_chemical_formula_sum "Sn16 H96 Cl32 O176"
_cell_length_a 14.53200964
_cell_length_b 29.06401928
_cell_length_c 9.984168
_cell_angle_alpha 90.... |
SuperCellAction | aed07593-eef0-4979-a22f-65aca5d70b75 | mp-3824 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta9Ni2S6Ta9Ni2S6Ta9Ni2S6Ta9Ni2S6
_chemical_formula_sum "Ta36 Ni8 S24"
_cell_length_a 10.1498084
_cell_length_b 40.5992336
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_... |
SuperCellAction | 22c994ae-fc59-4635-b761-ce2b81363341 | mp-758121 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C6O18Fe4C6O18Fe4C6O18Fe4C6O18Fe4C6O18Fe4C6O18
_chemical_formula_sum "Fe24 C36 O108"
_cell_length_a 22.89446703
_cell_length_b 7.63148901
_cell_length_c 15.26297662
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_a... |
SuperCellAction | 8391de17-90f3-49cb-bfa8-213cde35bad7 | mp-1218172 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Sr2Nd2Al6O14
_chemical_formula_sum "Sr2 Nd2 Al6 O14"
_cell_length_a 7.9182988
_cell_length_b 7.9182988
_cell_length_c 5.241025
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.23993485999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sr2Nd2Al6O14Sr2Nd2Al6O14Sr2Nd2Al6O14Sr2Nd2Al6O14Sr2Nd2Al6O14Sr2Nd2Al6O14
_chemical_formula_sum "Sr12 Nd12 Al36 O84"
_cell_length_a 7.9182988
_cell_length_b 15.8365976
_cell_length_c 15.723074999999998
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | 51f13120-df25-4718-a4cf-75d8d591da8f | mp-1214420 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... | data_image0
_chemical_formula_structural Ba2Hf2F12Ba2Hf2F12Ba2Hf2F12Ba2Hf2F12Ba2Hf2F12Ba2Hf2F12Ba2Hf2F12Ba2Hf2F12
_chemical_formula_sum "Ba16 Hf16 F96"
_cell_length_a 27.45841048
_cell_length_b 6.864602619999999
_cell_length_c 10.9268313
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 9a7bd77d-9e51-435d-ada8-3e33aba379a0 | mp-29802 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sc4Ni24Ge24Sc4Ni24Ge24Sc4Ni24Ge24
_chemical_formula_sum "Sc12 Ni72 Ge72"
_cell_length_a 30.63683355
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999... |
SuperCellAction | 28778aee-35e6-40dc-82af-4908dfa041a7 | mp-1211877 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4P2H6Se2O16K4P2H6Se2O16K4P2H6Se2O16K4P2H6Se2O16K4P2H6Se2O16K4P2H6Se2O16
_chemical_formula_sum "K24 P12 H36 Se12 O96"
_cell_length_a 15.20565
_cell_length_b 7.395724
_cell_length_c 29.11417932
_cell_angle_alpha 51.12925917
_cell_angle_beta... |
SuperCellAction | a285bc04-68f5-4ecc-ae6b-bcc49b7175a9 | mp-774656 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li5Ti6FeO16Li5Ti6FeO16
_chemical_formula_sum "Li10 Ti12 Fe2 O32"
_cell_length_a 5.9718
_cell_length_b 11.912588
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 1fd650ff-2026-4e1e-9669-25dfac0e5697 | mp-1442904 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Ca2Cu2F10
_chemical_formula_sum "Ca2 Cu2 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca2Cu2F10Ca2Cu2F10Ca2Cu2F10Ca2Cu2F10
_chemical_formula_sum "Ca8 Cu8 F40"
_cell_length_a 5.544288
_cell_length_b 11.11080396
_cell_length_c 15.42166416
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.1... |
SuperCellAction | aa46b9c1-3446-432f-89db-36b72347743f | mp-1190477 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural K2Li2C8N12
_chemical_formula_sum "K2 Li2 C8 N12"
_cell_length_a 7.284131
_cell_length_b 7.284131
_cell_length_c 8.7752841
_cell_angle_alpha 114.52163517
_cell_angle_beta 114.52163517
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K2Li2C8N12K2Li2C8N12K2Li2C8N12K2Li2C8N12K2Li2C8N12K2Li2C8N12K2Li2C8N12K2Li2C8N12
_chemical_formula_sum "K16 Li16 C64 N96"
_cell_length_a 14.568262
_cell_length_b 7.284131
_cell_length_c 35.1011364
_cell_angle_alpha 114.52163517
_cell_angle... |
SuperCellAction | 3ac2f4b9-6f8a-4c41-84c6-74e5dc11b4f5 | mp-28297 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_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 Nd12S8Br20Nd12S8Br20Nd12S8Br20Nd12S8Br20Nd12S8Br20Nd12S8Br20
_chemical_formula_sum "Nd72 S48 Br120"
_cell_length_a 6.927289
_cell_length_b 14.512962
_cell_length_c 68.36184899999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | dd599bc9-ab49-4e8e-bead-1b727ce28247 | mp-1193572 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Mg2Mo4N4O20
_chemical_formula_sum "Mg2 Mo4 N4 O20"
_cell_length_a 5.91235041
_cell_length_b 6.43273011
_cell_length_c 15.561932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.16113344000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Mg2Mo4N4O20Mg2Mo4N4O20Mg2Mo4N4O20Mg2Mo4N4O20
_chemical_formula_sum "Mg8 Mo16 N16 O80"
_cell_length_a 5.91235041
_cell_length_b 12.86546022
_cell_length_c 31.123864
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.1... |
SuperCellAction | d77b4b9f-2c41-454c-a75d-e370f5ba4ce0 | mp-1213210 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Dy4Au10F42
_chemical_formula_sum "Dy4 Au10 F42"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491999999... | data_image0
_chemical_formula_structural Dy4Au10F42Dy4Au10F42Dy4Au10F42Dy4Au10F42Dy4Au10F42Dy4Au10F42
_chemical_formula_sum "Dy24 Au60 F252"
_cell_length_a 16.215588
_cell_length_b 27.57610179
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.... |
SuperCellAction | b7fd81c6-7409-4afe-9b9d-4381fa9df888 | mp-1094347 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Mg6Ti6Mg6Ti6Mg6Ti6Mg6Ti6Mg6Ti6Mg6Ti6Mg6Ti6Mg6Ti6
_chemical_formula_sum "Mg48 Ti48"
_cell_length_a 4.882673
_cell_length_b 20.392452
_cell_length_c 18.859116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 19454e65-69b2-4031-80aa-9a95ac6f610b | mp-1028120 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural CaMg14CCaMg14C
_chemical_formula_sum "Ca2 Mg28 C2"
_cell_length_a 12.84201546
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt... |
SuperCellAction | b9d2a9c3-a691-4319-842e-c72e6d2aa891 | mp-1219272 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4Sm4CrFe33C4Sm4CrFe33C4
_chemical_formula_sum "Sm12 Cr3 Fe99 C12"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 39.01904391000001
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamm... |
SuperCellAction | 0231b136-3e61-4ab6-8f91-66115b92c4fc | mp-20399 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Ba4Mn2Mo2O12
_chemical_formula_sum "Ba4 Mn2 Mo2 O12"
_cell_length_a 5.88137151
_cell_length_b 5.88137067
_cell_length_c 10.18683375
_cell_angle_alpha 106.77865099
_cell_angle_beta 73.22134409
_cell_angle_gamma 119.99999968
_space_g... | data_image0
_chemical_formula_structural Ba4Mn2Mo2O12Ba4Mn2Mo2O12Ba4Mn2Mo2O12Ba4Mn2Mo2O12
_chemical_formula_sum "Ba16 Mn8 Mo8 O48"
_cell_length_a 11.76274302
_cell_length_b 11.76274134
_cell_length_c 10.18683375
_cell_angle_alpha 106.77865099
_cell_angle_beta 73.22134409
_cel... |
SuperCellAction | 2c094bb0-8b4a-4adf-981a-c949e0068625 | mp-20014 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_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 Al4V4Mo4O28Al4V4Mo4O28
_chemical_formula_sum "Al8 V8 Mo8 O56"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 25.923944
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 8c46702b-6753-4d18-b0cc-8b10b4e1e935 | mp-759254 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48
_chemical_formula_sum "Li12 Bi48 P84 O288"
_cell_length_a 22.01100652
_cell_length_b 11.136804660000001
_cell_length_c 34.87190514
_cell_angle_alpha 112.28091033
_cel... |
SuperCellAction | 2c1e4521-0a7f-4d6d-9b48-1beba929ecf0 | mp-1189578 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural V4N4O12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 V4N4O12V4N4O12V4N4O12V4N4O12V4N4O12V4N4O12
_chemical_formula_sum "V24 N24 O72"
_cell_length_a 10.439264
_cell_length_b 37.574316
_cell_length_c 6.098239
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 21bed476-afa8-4d41-bb8b-8e92f8f839e1 | mp-557589 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Tl4Zn4P12O36
_chemical_formula_sum "Tl4 Zn4 P12 O36"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_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 Tl4Zn4P12O36Tl4Zn4P12O36Tl4Zn4P12O36Tl4Zn4P12O36
_chemical_formula_sum "Tl16 Zn16 P48 O144"
_cell_length_a 5.225835
_cell_length_b 24.237488
_cell_length_c 26.309312
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | c2eb098b-f2e4-48f7-a1ec-01de0d2c4e02 | mp-2220314 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural MgFe12O12F12
_chemical_formula_sum "Mg1 Fe12 O12 F12"
_cell_length_a 9.56777255
_cell_length_b 14.660525789999998
_cell_length_c 3.10437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.46622766
_space_group_name_H... | data_image0
_chemical_formula_structural MgFe12O12F12MgFe12O12F12MgFe12O12F12MgFe12O12F12MgFe12O12F12MgFe12O12F12
_chemical_formula_sum "Mg6 Fe72 O72 F72"
_cell_length_a 28.703317650000002
_cell_length_b 14.660525789999998
_cell_length_c 6.20874
_cell_angle_alpha 90.0
_cell_angle... |
SuperCellAction | 9f0e0191-c8fc-4b73-9035-5572218569da | mp-27362 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Nb2S4Cl4
_chemical_formula_sum "Nb2 S4 Cl4"
_cell_length_a 6.32291907
_cell_length_b 6.427755
_cell_length_c 7.03413439
_cell_angle_alpha 79.78236948
_cell_angle_beta 68.85944313000002
_cell_angle_gamma 60.538071820000006
_space_gr... | data_image0
_chemical_formula_structural Nb2S4Cl4Nb2S4Cl4Nb2S4Cl4Nb2S4Cl4Nb2S4Cl4Nb2S4Cl4Nb2S4Cl4Nb2S4Cl4
_chemical_formula_sum "Nb16 S32 Cl32"
_cell_length_a 12.64583814
_cell_length_b 6.427755
_cell_length_c 28.13653756
_cell_angle_alpha 79.78236948
_cell_angle_beta 68.8594... |
SuperCellAction | bcd21fcc-6726-413f-bff6-2db822fa9b64 | mp-1103827 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cu2N4F8Cu2N4F8Cu2N4F8Cu2N4F8
_chemical_formula_sum "Cu8 N16 F32"
_cell_length_a 6.85040463
_cell_length_b 13.70080926
_cell_length_c 11.46135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_... |
SuperCellAction | 56e43253-175b-4805-8932-c548da8db69b | mp-1189829 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural U4Ge8Ir4
_chemical_formula_sum "U4 Ge8 Ir4"
_cell_length_a 4.341078
_cell_length_b 8.796164
_cell_length_c 9.39900152
_cell_angle_alpha 117.90006183999999
_cell_angle_beta 103.35200369999998
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural U4Ge8Ir4U4Ge8Ir4U4Ge8Ir4U4Ge8Ir4
_chemical_formula_sum "U16 Ge32 Ir16"
_cell_length_a 8.682156
_cell_length_b 17.592328
_cell_length_c 9.39900152
_cell_angle_alpha 117.90006183999999
_cell_angle_beta 103.35200369999998
_cell_angle_gamm... |
SuperCellAction | 2ed55adc-4ab5-49f4-8507-554bf161a17c | mp-1200008 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Pu4P8H16C4O28
_chemical_formula_sum "Pu4 P8 H16 C4 O28"
_cell_length_a 8.84722716
_cell_length_b 8.86947314
_cell_length_c 9.753096969999998
_cell_angle_alpha 71.10712759
_cell_angle_beta 71.73905019
_cell_angle_gamma 81.69825214
_... | data_image0
_chemical_formula_structural Pu4P8H16C4O28Pu4P8H16C4O28Pu4P8H16C4O28Pu4P8H16C4O28
_chemical_formula_sum "Pu16 P32 H64 C16 O112"
_cell_length_a 8.84722716
_cell_length_b 8.86947314
_cell_length_c 39.01238787999999
_cell_angle_alpha 71.10712759
_cell_angle_beta 71.7... |
SuperCellAction | 1fe8b82c-4f1b-46df-bf39-1a52d244c34a | mp-753734 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12
_chemical_formula_sum "Mn32 Cr16 O96"
_cell_length_a 5.07693485
_cell_length_b 10.1538697
_cell_length_c 38.442092
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | 34cc15d3-866d-42e1-906c-66a6446f739d | mp-1026581 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaSrMg14BaSrMg14BaSrMg14BaSrMg14BaSrMg14BaSrMg14
_chemical_formula_sum "Ba6 Sr6 Mg84"
_cell_length_a 20.29293825
_cell_length_b 13.41128692
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 11... |
SuperCellAction | 16fc8adb-801f-4af3-85a0-6dcd87ed8feb | mp-1233053 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural MgV8O8F8MgV8O8F8
_chemical_formula_sum "Mg2 V16 O16 F16"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 11.49670192
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
... |
SuperCellAction | fe6e5ed5-53f7-486c-9cb2-23fcca663eeb | mp-3887 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16Li24Ga8N16Li24Ga8N16Li24Ga8N16Li24Ga8N16Li24Ga8N16
_chemical_formula_sum "Li144 Ga48 N96"
_cell_length_a 8.28699076
_cell_length_b 16.57401012
_cell_length_c 24.8609736
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.4704... |
SuperCellAction | 64fb9206-3b02-4a6a-ac7e-11d02f4a1185 | mp-652961 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural La6Ga2Ge10O32
_chemical_formula_sum "La6 Ga2 Ge10 O32"
_cell_length_a 4.888958
_cell_length_b 8.21302788
_cell_length_c 15.866032
_cell_angle_alpha 90.74481896
_cell_angle_beta 94.27823965
_cell_angle_gamma 89.96125415
_space_group... | data_image0
_chemical_formula_structural La6Ga2Ge10O32La6Ga2Ge10O32La6Ga2Ge10O32La6Ga2Ge10O32La6Ga2Ge10O32La6Ga2Ge10O32La6Ga2Ge10O32La6Ga2Ge10O32
_chemical_formula_sum "La48 Ga16 Ge80 O256"
_cell_length_a 9.777916
_cell_length_b 32.85211152
_cell_length_c 15.866032
_cell_angle_alpha... |
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