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 | 5afcb5f1-4d9a-43a1-b7ce-277e60954cc3 | mp-1212621 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural H8C12N4Cl4O4F16
_chemical_formula_sum "H8 C12 N4 Cl4 O4 F16"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural H8C12N4Cl4O4F16H8C12N4Cl4O4F16H8C12N4Cl4O4F16H8C12N4Cl4O4F16
_chemical_formula_sum "H32 C48 N16 Cl16 O16 F64"
_cell_length_a 11.272252
_cell_length_b 10.184876
_cell_length_c 24.51398364
_cell_angle_alpha 80.86539727000002
_cell_angle_beta... |
SuperCellAction | 77cbb84e-fc03-4e4c-8063-f3797d4e981f | mp-556552 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural K16V4P8S36
_chemical_formula_sum "K16 V4 P8 S36"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_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 K16V4P8S36K16V4P8S36K16V4P8S36K16V4P8S36
_chemical_formula_sum "K64 V16 P32 S144"
_cell_length_a 6.905224
_cell_length_b 26.170012
_cell_length_c 39.185036
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 2ebc473a-74a0-42f4-abb1-595957a210bb | mp-753988 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural V4Cr4O12
_chemical_formula_sum "V4 Cr4 O12"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_group_n... | data_image0
_chemical_formula_structural V4Cr4O12V4Cr4O12V4Cr4O12V4Cr4O12V4Cr4O12V4Cr4O12V4Cr4O12V4Cr4O12
_chemical_formula_sum "V32 Cr32 O96"
_cell_length_a 10.06156448
_cell_length_b 10.80312962
_cell_length_c 14.73016102
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90... |
SuperCellAction | d618a7e5-ad49-4d3d-bb9a-e2a5e8c5b08c | mp-1196228 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural V12Fe8O48
_chemical_formula_sum "V12 Fe8 O48"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural V12Fe8O48V12Fe8O48V12Fe8O48V12Fe8O48V12Fe8O48V12Fe8O48V12Fe8O48V12Fe8O48
_chemical_formula_sum "V96 Fe64 O384"
_cell_length_a 17.16815
_cell_length_b 37.789296
_cell_length_c 12.287255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 62ef1ce2-cd4a-41e4-ae8c-0307ff8d69bf | mp-1192151 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn10As8Rb4Zn10As8Rb4Zn10As8
_chemical_formula_sum "Rb12 Zn30 As24"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 35.236924200000004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26... |
SuperCellAction | ef65766e-2be5-44dc-a3a3-3eef6c8068ec | mp-1520792 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... | data_image0
_chemical_formula_structural KLaZrTiO6KLaZrTiO6KLaZrTiO6KLaZrTiO6
_chemical_formula_sum "K4 La4 Zr4 Ti4 O24"
_cell_length_a 11.4727869
_cell_length_b 5.73639345
_cell_length_c 11.472786899999997
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999... |
SuperCellAction | 04c61c2e-3718-4e07-8068-692e47fcfe45 | mp-1521867 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KBaNdWO6KBaNdWO6KBaNdWO6KBaNdWO6
_chemical_formula_sum "K4 Ba4 Nd4 W4 O24"
_cell_length_a 24.37042804
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_an... |
SuperCellAction | bbcdb416-08a8-4038-a985-1b63a76368c1 | mp-23977 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_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 H4S28N4H4S28N4H4S28N4H4S28N4H4S28N4H4S28N4H4S28N4H4S28N4
_chemical_formula_sum "H32 S224 N32"
_cell_length_a 16.25094
_cell_length_b 8.50035
_cell_length_c 55.495316
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | efdfe9f1-036c-4943-9b50-4e6213541a30 | mp-1212516 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... | data_image0
_chemical_formula_structural H24C4S4N12O12H24C4S4N12O12H24C4S4N12O12H24C4S4N12O12H24C4S4N12O12H24C4S4N12O12H24C4S4N12O12H24C4S4N12O12
_chemical_formula_sum "H192 C32 S32 N96 O96"
_cell_length_a 15.3057197
_cell_length_b 30.6114394
_cell_length_c 12.969269
_cell_angle_alp... |
SuperCellAction | b8997422-eaa4-4013-8538-67a892396be2 | mp-1233561 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.368... | data_image0
_chemical_formula_structural MgCo4P8O28MgCo4P8O28MgCo4P8O28MgCo4P8O28MgCo4P8O28MgCo4P8O28
_chemical_formula_sum "Mg6 Co24 P48 O168"
_cell_length_a 20.51502033
_cell_length_b 8.077485120000002
_cell_length_c 18.876472760000002
_cell_angle_alpha 90.09435495999999
_cell_... |
SuperCellAction | ee54462e-60c1-4c76-96b1-5ecb32af8047 | mp-1371279 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Zn4Sn4O10
_chemical_formula_sum "Zn4 Sn4 O10"
_cell_length_a 3.306152
_cell_length_b 6.356792
_cell_length_c 12.05558
_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 Zn4Sn4O10Zn4Sn4O10Zn4Sn4O10Zn4Sn4O10Zn4Sn4O10Zn4Sn4O10
_chemical_formula_sum "Zn24 Sn24 O60"
_cell_length_a 9.918455999999999
_cell_length_b 6.356792
_cell_length_c 24.11116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 6420d059-8001-400d-8912-c56cb3bb18e2 | mp-1103256 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe4Sb4Se4Fe4Sb4Se4Fe4Sb4Se4
_chemical_formula_sum "Fe12 Sb12 Se12"
_cell_length_a 6.09302977
_cell_length_b 18.603293999999998
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | 5e55b3a0-b724-4c18-a3f8-53a4cda2fbb5 | mp-23702 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li4H8N4Li4H8N4Li4H8N4Li4H8N4Li4H8N4Li4H8N4Li4H8N4Li4H8N4
_chemical_formula_sum "Li32 H64 N32"
_cell_length_a 4.93582519
_cell_length_b 19.74329612
_cell_length_c 12.35809012
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.540681210... |
SuperCellAction | aea766c6-1a8f-43b7-a160-956530551033 | mp-1190979 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Sc16Ir8Sc16Ir8Sc16Ir8Sc16Ir8
_chemical_formula_sum "Sc64 Ir32"
_cell_length_a 8.69136518
_cell_length_b 34.76545488
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 5... |
SuperCellAction | 92498980-9612-464c-8969-6a78bf5112bc | mp-1032565 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_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 Mg6ZnBiO8Mg6ZnBiO8
_chemical_formula_sum "Mg12 Zn2 Bi2 O16"
_cell_length_a 17.91106626
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | 38fa830b-7825-442f-a0d0-1fc171b933f5 | mp-761075 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... | data_image0
_chemical_formula_structural Ni4P16O44Ni4P16O44
_chemical_formula_sum "Ni8 P32 O88"
_cell_length_a 9.172254
_cell_length_b 18.41169544
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999... |
SuperCellAction | 2f98d384-0756-442a-8a36-48d5995cfe9a | mp-34195 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2C2O6Ba2C2O6Ba2C2O6Ba2C2O6
_chemical_formula_sum "Ba8 C8 O24"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 24.60934156
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | 6cba0959-356d-4f47-867f-2ddebce53bc0 | mp-1235319 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural LiSc4Fe4O12
_chemical_formula_sum "Li1 Sc4 Fe4 O12"
_cell_length_a 5.12678458
_cell_length_b 5.4436032
_cell_length_c 8.04653984
_cell_angle_alpha 90.16735254
_cell_angle_beta 91.99021394
_cell_angle_gamma 88.80830664000001
_space_... | data_image0
_chemical_formula_structural LiSc4Fe4O12LiSc4Fe4O12LiSc4Fe4O12LiSc4Fe4O12LiSc4Fe4O12LiSc4Fe4O12LiSc4Fe4O12LiSc4Fe4O12
_chemical_formula_sum "Li8 Sc32 Fe32 O96"
_cell_length_a 10.25356916
_cell_length_b 5.4436032
_cell_length_c 32.18615936
_cell_angle_alpha 90.16735254... |
SuperCellAction | cc4051f0-a792-415b-ae22-d1c61f0a30c0 | mp-1196015 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16
_chemical_formula_sum "Cs48 P24 Au24 S96"
_cell_length_a 7.154088
_cell_length_b 21.871953
_cell_length_c 40.916748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 8fbe59ae-fabd-4444-9f88-ec947838bdee | mp-1112637 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Cs2TlCuF6
_chemical_formula_sum "Cs2 Tl1 Cu1 F6"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Cs2TlCuF6Cs2TlCuF6Cs2TlCuF6Cs2TlCuF6Cs2TlCuF6Cs2TlCuF6Cs2TlCuF6Cs2TlCuF6
_chemical_formula_sum "Cs16 Tl8 Cu8 F48"
_cell_length_a 6.35045246
_cell_length_b 25.401809840000002
_cell_length_c 12.70090492
_cell_angle_alpha 59.99999999999999
_c... |
SuperCellAction | 7287c4ff-86fe-4cc9-a51f-82b9407524db | mp-1209004 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10Sc4Tl2Cu6Se10Sc4Tl2Cu6Se10Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc16 Tl8 Cu24 Se40"
_cell_length_a 14.8921879
_cell_length_b 7.446093949999999
_cell_length_c 32.76975
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | c2f69164-2b05-45a9-afc3-7d19eae6720a | mp-758495 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O28Li8Co8C8O28Li8Co8C8O28Li8Co8C8O28
_chemical_formula_sum "Li32 Co32 C32 O112"
_cell_length_a 24.987776
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 61ea8173-270f-4d13-af40-d7c9b2fcfadc | mp-25273 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural LiMo3O8
_chemical_formula_sum "Li1 Mo3 O8"
_cell_length_a 6.06688934
_cell_length_b 6.06688934
_cell_length_c 6.06688936
_cell_angle_alpha 61.23775104
_cell_angle_beta 61.23775104
_cell_angle_gamma 61.23774855
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiMo3O8LiMo3O8LiMo3O8LiMo3O8LiMo3O8LiMo3O8
_chemical_formula_sum "Li6 Mo18 O48"
_cell_length_a 12.13377868
_cell_length_b 6.06688934
_cell_length_c 18.200668080000003
_cell_angle_alpha 61.23775104
_cell_angle_beta 61.23775104
_cell_ang... |
SuperCellAction | ea489469-6465-4044-b28d-c964ab285882 | mp-779625 | Create a supercell with the size 1x1x2. | 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 Li16Mn8P12O48Li16Mn8P12O48
_chemical_formula_sum "Li32 Mn16 P24 O96"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 29.86972408
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 9845322a-e614-4387-9131-aaec5a942e2a | mp-1519381 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural SrCaPrSbO6
_chemical_formula_sum "Sr1 Ca1 Pr1 Sb1 O6"
_cell_length_a 5.88812195
_cell_length_b 5.88812195
_cell_length_c 5.88812195
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural SrCaPrSbO6SrCaPrSbO6SrCaPrSbO6SrCaPrSbO6SrCaPrSbO6SrCaPrSbO6
_chemical_formula_sum "Sr6 Ca6 Pr6 Sb6 O36"
_cell_length_a 11.7762439
_cell_length_b 17.664365850000003
_cell_length_c 5.88812195
_cell_angle_alpha 59.99999999999999
_cell_angle_... |
SuperCellAction | 70f14e65-b985-44ce-a651-6efe30265eb7 | mp-1199066 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Eu8B8O22F4
_chemical_formula_sum "Eu8 B8 O22 F4"
_cell_length_a 7.38493748
_cell_length_b 7.38493748
_cell_length_c 13.944672270000002
_cell_angle_alpha 89.11157898
_cell_angle_beta 89.11157898
_cell_angle_gamma 37.38706046
_space_... | data_image0
_chemical_formula_structural Eu8B8O22F4Eu8B8O22F4Eu8B8O22F4Eu8B8O22F4Eu8B8O22F4Eu8B8O22F4Eu8B8O22F4Eu8B8O22F4
_chemical_formula_sum "Eu64 B64 O176 F32"
_cell_length_a 29.53974992
_cell_length_b 7.38493748
_cell_length_c 27.889344540000003
_cell_angle_alpha 89.11157898... |
SuperCellAction | 18d012b1-a30b-42fe-a276-0770aea03ed9 | mp-1078410 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Ba2ZnTeO6
_chemical_formula_sum "Ba2 Zn1 Te1 O6"
_cell_length_a 5.84283748
_cell_length_b 5.84283748
_cell_length_c 5.84283748
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Ba2ZnTeO6Ba2ZnTeO6Ba2ZnTeO6Ba2ZnTeO6
_chemical_formula_sum "Ba8 Zn4 Te4 O24"
_cell_length_a 5.84283748
_cell_length_b 23.37134992
_cell_length_c 5.84283748
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_an... |
SuperCellAction | f35e7d44-3847-426c-a42a-de846c3cb6ac | mp-1193804 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Pr12Ga8Ni8
_chemical_formula_sum "Pr12 Ga8 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_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 Pr12Ga8Ni8Pr12Ga8Ni8Pr12Ga8Ni8Pr12Ga8Ni8Pr12Ga8Ni8Pr12Ga8Ni8
_chemical_formula_sum "Pr72 Ga48 Ni48"
_cell_length_a 5.809571
_cell_length_b 16.625432
_cell_length_c 38.476991999999996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | d9ad8d92-d4ea-4c41-a5c1-cbb5c29e64a2 | mp-760489 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural P2H12N2O4
_chemical_formula_sum "P2 H12 N2 O4"
_cell_length_a 6.94446242
_cell_length_b 6.94446242
_cell_length_c 4.049551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.35006993
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural P2H12N2O4P2H12N2O4P2H12N2O4
_chemical_formula_sum "P6 H36 N6 O12"
_cell_length_a 6.94446242
_cell_length_b 6.94446242
_cell_length_c 12.148653
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.35006993
_space_group... |
SuperCellAction | 1f1186af-1a24-49da-9ad2-d3f5ea869144 | mp-25946 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Sb4P10O32
_chemical_formula_sum "Sb4 P10 O32"
_cell_length_a 10.443986
_cell_length_b 7.564572
_cell_length_c 10.70179358
_cell_angle_alpha 69.2391077
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb4P10O32Sb4P10O32Sb4P10O32Sb4P10O32Sb4P10O32Sb4P10O32
_chemical_formula_sum "Sb24 P60 O192"
_cell_length_a 20.887972
_cell_length_b 22.693716000000002
_cell_length_c 10.70179358
_cell_angle_alpha 69.2391077
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 550091da-846d-4636-b9bd-2fb368da6d92 | mp-1027923 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrMg14ZrSrMg14ZrSrMg14Zr
_chemical_formula_sum "Sr3 Mg42 Zr3"
_cell_length_a 19.72825068
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_... |
SuperCellAction | 849df076-b2ed-4436-8487-f4bd044a1462 | mp-759739 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6O3F15V6O3F15V6O3F15V6O3F15V6O3F15V6O3F15V6O3F15V6O3F15
_chemical_formula_sum "V48 O24 F120"
_cell_length_a 16.89199356
_cell_length_b 8.44599678
_cell_length_c 18.24952
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 021b92f0-059d-483d-956b-33e368c90b91 | mp-752621 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Li6Fe2B8O18
_chemical_formula_sum "Li6 Fe2 B8 O18"
_cell_length_a 8.715265
_cell_length_b 5.713325
_cell_length_c 6.78721015
_cell_angle_alpha 78.52081286
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li6Fe2B8O18Li6Fe2B8O18Li6Fe2B8O18Li6Fe2B8O18Li6Fe2B8O18Li6Fe2B8O18Li6Fe2B8O18Li6Fe2B8O18
_chemical_formula_sum "Li48 Fe16 B64 O144"
_cell_length_a 17.43053
_cell_length_b 22.8533
_cell_length_c 6.78721015
_cell_angle_alpha 78.52081286
_cel... |
SuperCellAction | 1cf1afa2-17c4-477d-8f53-2521cecfadac | mp-1235953 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural K2LiNb2P2C2O14
_chemical_formula_sum "K2 Li1 Nb2 P2 C2 O14"
_cell_length_a 10.52196763
_cell_length_b 6.6069197299999995
_cell_length_c 5.28292177
_cell_angle_alpha 89.81845657000001
_cell_angle_beta 87.54113494000002
_cell_angle_gamma... | data_image0
_chemical_formula_structural K2LiNb2P2C2O14K2LiNb2P2C2O14K2LiNb2P2C2O14K2LiNb2P2C2O14K2LiNb2P2C2O14K2LiNb2P2C2O14
_chemical_formula_sum "K12 Li6 Nb12 P12 C12 O84"
_cell_length_a 10.52196763
_cell_length_b 19.82075919
_cell_length_c 10.56584354
_cell_angle_alpha 89.818... |
SuperCellAction | 2dcacc2e-fd72-413f-84f9-3f9d05ece090 | mp-1022061 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural La2Mg12Ni2
_chemical_formula_sum "La2 Mg12 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 La2Mg12Ni2La2Mg12Ni2La2Mg12Ni2La2Mg12Ni2La2Mg12Ni2La2Mg12Ni2
_chemical_formula_sum "La12 Mg72 Ni12"
_cell_length_a 9.669606
_cell_length_b 18.798113999999998
_cell_length_c 12.206856
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | a9b0eef1-1f72-45bc-9956-d9e8f395ebd3 | mp-572465 | Create a supercell with the size 1 by 4 by 1. | 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 Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24
_chemical_formula_sum "Cr16 Cu16 P32 S96"
_cell_length_a 10.378013
_cell_length_b 23.941464
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 43472da3-68ba-4896-acdf-6937e38f974f | mp-531527 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Ba3Ti20O40
_chemical_formula_sum "Ba3 Ti20 O40"
_cell_length_a 10.27568035
_cell_length_b 10.27568035
_cell_length_c 10.03228949
_cell_angle_alpha 61.29334600000001
_cell_angle_beta 61.29334600000001
_cell_angle_gamma 92.2357216
_s... | data_image0
_chemical_formula_structural Ba3Ti20O40Ba3Ti20O40Ba3Ti20O40
_chemical_formula_sum "Ba9 Ti60 O120"
_cell_length_a 10.27568035
_cell_length_b 30.827041050000002
_cell_length_c 10.03228949
_cell_angle_alpha 61.29334600000001
_cell_angle_beta 61.29334600000001
_cell_a... |
SuperCellAction | f1f80d4d-9bf3-4b52-87e2-a39ce689651a | mp-20268 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4Pd4Ti4Ge4Pd4Ti4Ge4Pd4Ti4Ge4Pd4Ti4Ge4Pd4Ti4Ge4Pd4
_chemical_formula_sum "Ti24 Ge24 Pd24"
_cell_length_a 3.84471038
_cell_length_b 12.8044962
_cell_length_c 22.656529439999996
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999... |
SuperCellAction | bb8ba16e-38e3-4b94-96df-38820d93711f | mp-759863 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Na4V2O6
_chemical_formula_sum "Na4 V2 O6"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... | data_image0
_chemical_formula_structural Na4V2O6Na4V2O6Na4V2O6Na4V2O6Na4V2O6Na4V2O6Na4V2O6Na4V2O6
_chemical_formula_sum "Na32 V16 O48"
_cell_length_a 10.81287696
_cell_length_b 5.40643157
_cell_length_c 22.760445039999997
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053... |
SuperCellAction | f397dfd3-c45b-4fb1-b4f3-ab66b30c11d1 | mp-1212483 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28
_chemical_formula_sum "Hg128 P32 H32 N32 O224"
_cell_length_a 12.24886842
_cell_length_b 8.318202
_cell_length_c 77.41767256
_cell_angle_... |
SuperCellAction | ef2d045b-2dfb-44d4-8a0f-7bca56259b4e | mp-1209474 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... | data_image0
_chemical_formula_structural Sm4Ni4Pb4Sm4Ni4Pb4Sm4Ni4Pb4Sm4Ni4Pb4Sm4Ni4Pb4Sm4Ni4Pb4
_chemical_formula_sum "Sm24 Ni24 Pb24"
_cell_length_a 13.76935023
_cell_length_b 14.66363046
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000... |
SuperCellAction | 6b02298b-3293-4e68-88a3-df9d9d32279b | mp-1204342 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32Ca8B12H16Cl4O32Ca8B12H16Cl4O32Ca8B12H16Cl4O32Ca8B12H16Cl4O32Ca8B12H16Cl4O32
_chemical_formula_sum "Ca48 B72 H96 Cl24 O192"
_cell_length_a 7.22859361
_cell_length_b 23.79822522
_cell_length_c 25.112542779999995
_cell_angle_alpha... |
SuperCellAction | 4755e84f-81f0-4985-aaab-d9e69b639504 | mp-767632 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16V4P4O16V4P4O16V4P4O16V4P4O16V4P4O16V4P4O16V4P4O16
_chemical_formula_sum "V32 P32 O128"
_cell_length_a 4.69951386
_cell_length_b 17.299944479999997
_cell_length_c 25.89320032
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.9970... |
SuperCellAction | ab2f636e-5ad2-4310-9c2b-c40f4294c722 | mp-1174010 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 3.027597
_cell_length_b 5.081402820000001
_cell_length_c 12.403117880000002
_cell_angle_alpha 100.73363916
_cell_angle_beta 87.87144722
_cell_angle_gamma 103.019523... | data_image0
_chemical_formula_structural Li6Mn2Co2O10Li6Mn2Co2O10Li6Mn2Co2O10Li6Mn2Co2O10Li6Mn2Co2O10Li6Mn2Co2O10
_chemical_formula_sum "Li36 Mn12 Co12 O60"
_cell_length_a 3.027597
_cell_length_b 10.162805640000002
_cell_length_c 37.20935364
_cell_angle_alpha 100.73363916
_cell_a... |
SuperCellAction | e21f019d-6132-4717-a665-126a06e9d95a | mp-568595 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Re8Si14
_chemical_formula_sum "Re8 Si14"
_cell_length_a 11.80895754
_cell_length_b 11.80895754
_cell_length_c 8.372270209999998
_cell_angle_alpha 87.41781667
_cell_angle_beta 87.41781667
_cell_angle_gamma 15.289560639999978
_space_... | data_image0
_chemical_formula_structural Re8Si14Re8Si14
_chemical_formula_sum "Re16 Si28"
_cell_length_a 11.80895754
_cell_length_b 23.61791508
_cell_length_c 8.372270209999998
_cell_angle_alpha 87.41781667
_cell_angle_beta 87.41781667
_cell_angle_gamma 15.289560639999978
... |
SuperCellAction | e4bee8ed-142c-4f8a-a8e6-b27f49f06f4d | mp-558681 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16
_chemical_formula_sum "P64 Cl64 O64 F128"
_cell_length_a 5.55295745
_cell_length_b 39.63179952
_cell_length_c 26.19788566
_cell_angle_alpha 90.0
_cell_angle_b... |
SuperCellAction | 65dd3c28-c0cc-4efb-9fba-615c99df3811 | mp-1205760 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Sr2LuNbO6
_chemical_formula_sum "Sr2 Lu1 Nb1 O6"
_cell_length_a 5.89116681
_cell_length_b 5.89116681
_cell_length_c 5.89116681
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Sr2LuNbO6Sr2LuNbO6Sr2LuNbO6Sr2LuNbO6Sr2LuNbO6Sr2LuNbO6
_chemical_formula_sum "Sr12 Lu6 Nb6 O36"
_cell_length_a 5.89116681
_cell_length_b 17.67350043
_cell_length_c 11.78233362
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999... |
SuperCellAction | c5987e2e-09dd-468d-8170-7245708ca0b7 | mp-1190262 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2Zr10Sb6Ru2Zr10Sb6Ru2
_chemical_formula_sum "Zr30 Sb18 Ru6"
_cell_length_a 26.195692709999996
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.999996779999... |
SuperCellAction | bc29a9cf-fffd-40f7-a0fb-6adbab9f84be | mp-1200769 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Yb3Ga24Cu12
_chemical_formula_sum "Yb3 Ga24 Cu12"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_gr... | data_image0
_chemical_formula_structural Yb3Ga24Cu12Yb3Ga24Cu12Yb3Ga24Cu12
_chemical_formula_sum "Yb9 Ga72 Cu36"
_cell_length_a 30.56122257
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma ... |
SuperCellAction | 57b2d0b8-bc5e-4695-9033-c235cfe3f9a4 | mp-1211974 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural InS2NO8
_chemical_formula_sum "In1 S2 N1 O8"
_cell_length_a 4.96153941
_cell_length_b 4.96153941
_cell_length_c 8.92500071
_cell_angle_alpha 73.86166951999999
_cell_angle_beta 73.86166951999999
_cell_angle_gamma 60.00000787
_space_... | data_image0
_chemical_formula_structural InS2NO8InS2NO8InS2NO8InS2NO8
_chemical_formula_sum "In4 S8 N4 O32"
_cell_length_a 19.84615764
_cell_length_b 4.96153941
_cell_length_c 8.92500071
_cell_angle_alpha 73.86166951999999
_cell_angle_beta 73.86166951999999
_cell_angle_gamma ... |
SuperCellAction | dff17a49-c71d-4978-ac6a-c9c015968623 | mp-1037998 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 Mg30AlCdO32Mg30AlCdO32Mg30AlCdO32Mg30AlCdO32Mg30AlCdO32Mg30AlCdO32
_chemical_formula_sum "Mg180 Al6 Cd6 O192"
_cell_length_a 8.577996
_cell_length_b 17.155992
_cell_length_c 25.708911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 606ec334-6edb-4bb9-a2b2-ce10d32c72e1 | mp-1202419 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Ca2Re4C10N20O26
_chemical_formula_sum "Ca2 Re4 C10 N20 O26"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... | data_image0
_chemical_formula_structural Ca2Re4C10N20O26Ca2Re4C10N20O26
_chemical_formula_sum "Ca4 Re8 C20 N40 O52"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 30.17700026
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamm... |
SuperCellAction | 66af4faf-7dc5-4ccc-966f-5fcc6197608d | mp-2234075 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural MgScNi2SbO6
_chemical_formula_sum "Mg1 Sc1 Ni2 Sb1 O6"
_cell_length_a 5.3578386
_cell_length_b 5.3553402
_cell_length_c 5.99123202
_cell_angle_alpha 63.50255283999999
_cell_angle_beta 63.50103803999999
_cell_angle_gamma 59.98045332
... | data_image0
_chemical_formula_structural MgScNi2SbO6MgScNi2SbO6MgScNi2SbO6MgScNi2SbO6
_chemical_formula_sum "Mg4 Sc4 Ni8 Sb4 O24"
_cell_length_a 5.3578386
_cell_length_b 10.7106804
_cell_length_c 11.98246404
_cell_angle_alpha 63.50255283999999
_cell_angle_beta 63.501038039999... |
SuperCellAction | fdb07e40-5f11-4292-9f3d-24abe7b42248 | mp-776226 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Hf16N16O8
_chemical_formula_sum "Hf16 N16 O8"
_cell_length_a 8.64803569
_cell_length_b 8.675023070000002
_cell_length_c 8.68143733
_cell_angle_alpha 109.54989756
_cell_angle_beta 109.52119125
_cell_angle_gamma 109.23362109
_space_g... | data_image0
_chemical_formula_structural Hf16N16O8Hf16N16O8Hf16N16O8Hf16N16O8Hf16N16O8Hf16N16O8
_chemical_formula_sum "Hf96 N96 O48"
_cell_length_a 25.94410707
_cell_length_b 17.350046140000003
_cell_length_c 8.68143733
_cell_angle_alpha 109.54989756
_cell_angle_beta 109.5211... |
SuperCellAction | 6c2ef492-a7da-4af6-b606-f36860e67fb2 | mp-2230889 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5FeO12MgV5FeO12MgV5FeO12
_chemical_formula_sum "Mg3 V15 Fe3 O36"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 17.327777219999998
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma ... |
SuperCellAction | a6cc86d1-646c-4567-a087-cb6387de5100 | mp-1175749 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li72 Mn16 Co40 O128"
_cell_length_a 11.883368
_cell_length_b 12.905804739999999
_cell_length_c 17.17348212
_cell_angle_alp... |
SuperCellAction | df2c1098-260c-4dd4-ad73-ccd7b22dbb20 | mp-758717 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Co4C8O24Li2Co4C8O24Li2Co4C8O24Li2Co4C8O24Li2Co4C8O24Li2Co4C8O24Li2Co4C8O24Li2Co4C8O24
_chemical_formula_sum "Li16 Co32 C64 O192"
_cell_length_a 9.550868
_cell_length_b 14.911678
_cell_length_c 33.73345972
_cell_angle_alpha 70.4166692799... |
SuperCellAction | de83221a-f0d6-4b80-930d-98175a11eef7 | mp-722910 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4
_chemical_formula_sum "K32 B96 H80 N16 O32"
_cell_length_a 36.0902916
_cell_length_b 9.0225729
_cell_length_c 16.438756
_cell_angle_alpha 90.0... |
SuperCellAction | 6b7a4c42-2c2d-4567-a7be-fd276bf7f457 | mp-1113451 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Cs2ScAgBr6
_chemical_formula_sum "Cs2 Sc1 Ag1 Br6"
_cell_length_a 7.8941599
_cell_length_b 7.8941599
_cell_length_c 7.8941599
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Cs2ScAgBr6Cs2ScAgBr6Cs2ScAgBr6Cs2ScAgBr6Cs2ScAgBr6Cs2ScAgBr6Cs2ScAgBr6Cs2ScAgBr6
_chemical_formula_sum "Cs16 Sc8 Ag8 Br48"
_cell_length_a 15.7883198
_cell_length_b 15.7883198
_cell_length_c 15.7883198
_cell_angle_alpha 59.99999999999999
_c... |
SuperCellAction | 2286c464-d3f2-440f-953c-1db560e6d5a3 | mp-12611 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Ca3Ga8
_chemical_formula_sum "Ca3 Ga8"
_cell_length_a 4.26788338
_cell_length_b 4.29781021
_cell_length_c 13.10926426
_cell_angle_alpha 99.43465476
_cell_angle_beta 99.36835284000001
_cell_angle_gamma 90.00000172
_space_group_name_... | data_image0
_chemical_formula_structural Ca3Ga8Ca3Ga8Ca3Ga8
_chemical_formula_sum "Ca9 Ga24"
_cell_length_a 4.26788338
_cell_length_b 12.89343063
_cell_length_c 13.10926426
_cell_angle_alpha 99.43465476
_cell_angle_beta 99.36835284000001
_cell_angle_gamma 90.00000172
_spa... |
SuperCellAction | 7cff9fa9-7412-4b75-8c3d-90d8ffd9c9d5 | mp-768696 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Li6Cr6Fe2O16
_chemical_formula_sum "Li6 Cr6 Fe2 O16"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... | data_image0
_chemical_formula_structural Li6Cr6Fe2O16Li6Cr6Fe2O16Li6Cr6Fe2O16
_chemical_formula_sum "Li18 Cr18 Fe6 O48"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 23.25351561
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_... |
SuperCellAction | 54dfbe51-b71b-4171-b4ce-37bbc01d357b | mp-985591 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural Li6PS5BrLi6PS5BrLi6PS5BrLi6PS5BrLi6PS5BrLi6PS5Br
_chemical_formula_sum "Li36 P6 S30 Br6"
_cell_length_a 7.28689094
_cell_length_b 21.86067282
_cell_length_c 14.573781879999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99... |
SuperCellAction | 59538755-249a-420e-a0ae-5438da453e1c | mp-766542 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16
_chemical_formula_sum "Li24 Fe24 Si24 O96"
_cell_length_a 15.303684
_cell_length_b 12.762056
_cell_length_c 10.84451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | 4fbff317-32b0-4884-9960-6cb0c4e03113 | mp-780315 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... | data_image0
_chemical_formula_structural Li4Cr2Fe3O10Li4Cr2Fe3O10Li4Cr2Fe3O10Li4Cr2Fe3O10Li4Cr2Fe3O10Li4Cr2Fe3O10Li4Cr2Fe3O10Li4Cr2Fe3O10
_chemical_formula_sum "Li32 Cr16 Fe24 O80"
_cell_length_a 5.114969
_cell_length_b 20.54012144
_cell_length_c 15.659939299999998
_cell_angle_alpha... |
SuperCellAction | 1ea35559-cb3d-42e9-aa5b-99a311be3979 | mp-1245070 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Zn50S50
_chemical_formula_sum "Zn50 S50"
_cell_length_a 13.63140563
_cell_length_b 14.017072280000002
_cell_length_c 12.744054180000001
_cell_angle_alpha 90.14536832
_cell_angle_beta 90.00963385
_cell_angle_gamma 89.63804257000001
... | data_image0
_chemical_formula_structural Zn50S50Zn50S50Zn50S50Zn50S50Zn50S50Zn50S50
_chemical_formula_sum "Zn300 S300"
_cell_length_a 27.26281126
_cell_length_b 14.017072280000002
_cell_length_c 38.23216254
_cell_angle_alpha 90.14536832
_cell_angle_beta 90.00963385
_cell_angl... |
SuperCellAction | 2d5b82ae-2849-445a-a078-97c92eea6567 | mp-673174 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe24N9Fe24N9
_chemical_formula_sum "Fe48 N18"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 9.36834136
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
... |
SuperCellAction | 49ecba3c-2144-4e88-b67f-b5046e1e045a | mp-1203548 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Cd6Se8O24
_chemical_formula_sum "Cd6 Se8 O24"
_cell_length_a 9.535666
_cell_length_b 7.426734
_cell_length_c 9.487163359999998
_cell_angle_alpha 66.99712660999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd6Se8O24Cd6Se8O24Cd6Se8O24Cd6Se8O24Cd6Se8O24Cd6Se8O24Cd6Se8O24Cd6Se8O24
_chemical_formula_sum "Cd48 Se64 O192"
_cell_length_a 19.071332
_cell_length_b 29.706936
_cell_length_c 9.487163359999998
_cell_angle_alpha 66.99712660999998
_cell_an... |
SuperCellAction | 9fae80da-86d7-4dfe-9345-984af60139e4 | mp-1247259 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N6Ca6Rh2N6Ca6Rh2N6Ca6Rh2N6
_chemical_formula_sum "Ca24 Rh8 N24"
_cell_length_a 29.17085656
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
... |
SuperCellAction | cb314eb7-b2d8-47dc-89a6-7c22cb46477d | mp-1209956 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural NaTbPd6O8
_chemical_formula_sum "Na1 Tb1 Pd6 O8"
_cell_length_a 5.835133
_cell_length_b 5.835133
_cell_length_c 5.835133
_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 NaTbPd6O8NaTbPd6O8NaTbPd6O8NaTbPd6O8NaTbPd6O8NaTbPd6O8NaTbPd6O8NaTbPd6O8
_chemical_formula_sum "Na8 Tb8 Pd48 O64"
_cell_length_a 11.670266
_cell_length_b 5.835133
_cell_length_c 23.340532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | 7d1c03fc-1e95-4ef2-aca9-bf14eef0c024 | mp-1204445 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Th2H4S6O24
_chemical_formula_sum "Th2 H4 S6 O24"
_cell_length_a 5.790092
_cell_length_b 9.23420924
_cell_length_c 9.80005057
_cell_angle_alpha 65.03082046000002
_cell_angle_beta 87.90115954
_cell_angle_gamma 89.00970674
_space_grou... | data_image0
_chemical_formula_structural Th2H4S6O24Th2H4S6O24Th2H4S6O24Th2H4S6O24Th2H4S6O24Th2H4S6O24Th2H4S6O24Th2H4S6O24
_chemical_formula_sum "Th16 H32 S48 O192"
_cell_length_a 23.160368
_cell_length_b 18.46841848
_cell_length_c 9.80005057
_cell_angle_alpha 65.03082046000002
_c... |
SuperCellAction | 5e0fb0c8-dfb2-43dd-b547-fa3300563649 | mp-755220 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Li3CrNi3O8
_chemical_formula_sum "Li3 Cr1 Ni3 O8"
_cell_length_a 5.83594517
_cell_length_b 5.83594517
_cell_length_c 5.84957653
_cell_angle_alpha 60.50939455000001
_cell_angle_beta 60.50939455000001
_cell_angle_gamma 59.17975227
_s... | data_image0
_chemical_formula_structural Li3CrNi3O8Li3CrNi3O8Li3CrNi3O8Li3CrNi3O8Li3CrNi3O8Li3CrNi3O8
_chemical_formula_sum "Li18 Cr6 Ni18 O48"
_cell_length_a 11.67189034
_cell_length_b 17.507835509999996
_cell_length_c 5.84957653
_cell_angle_alpha 60.50939455000001
_cell_angle_b... |
SuperCellAction | 1eb9a474-360a-4698-b321-0b1d2357042f | mp-28295 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Cs2I2O6
_chemical_formula_sum "Cs2 I2 O6"
_cell_length_a 4.66904371
_cell_length_b 6.601774169999999
_cell_length_c 6.61473721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99353567
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2I2O6Cs2I2O6
_chemical_formula_sum "Cs4 I4 O12"
_cell_length_a 4.66904371
_cell_length_b 13.203548339999998
_cell_length_c 6.61473721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99353567
_space_group_name_H-... |
SuperCellAction | 36f99ff3-82b9-4b48-819d-5acbc693ca25 | mp-1200879 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Y6Ge26Pt8
_chemical_formula_sum "Y6 Ge26 Pt8"
_cell_length_a 9.10970153
_cell_length_b 9.10970153
_cell_length_c 9.17047569
_cell_angle_alpha 89.65004786
_cell_angle_beta 89.65004786
_cell_angle_gamma 89.92926009000001
_space_group... | data_image0
_chemical_formula_structural Y6Ge26Pt8Y6Ge26Pt8Y6Ge26Pt8Y6Ge26Pt8Y6Ge26Pt8Y6Ge26Pt8Y6Ge26Pt8Y6Ge26Pt8
_chemical_formula_sum "Y48 Ge208 Pt64"
_cell_length_a 36.43880612
_cell_length_b 18.21940306
_cell_length_c 9.17047569
_cell_angle_alpha 89.65004786
_cell_angle_beta ... |
SuperCellAction | 5d28a544-6ba1-4455-8868-9b68852f9ceb | mp-1026800 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Mg14SiC
_chemical_formula_sum "Mg14 Si1 C1"
_cell_length_a 6.37468633
_cell_length_b 7.79018563
_cell_length_c 8.47410854
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.66366127
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mg14SiCMg14SiCMg14SiCMg14SiCMg14SiCMg14SiC
_chemical_formula_sum "Mg84 Si6 C6"
_cell_length_a 6.37468633
_cell_length_b 23.37055689
_cell_length_c 16.94821708
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.663661... |
SuperCellAction | 2bc70678-fa2e-4cfe-bcbd-58d259bba7af | mp-756068 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Li4V4O4F12
_chemical_formula_sum "Li4 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 Li4V4O4F12Li4V4O4F12Li4V4O4F12
_chemical_formula_sum "Li12 V12 O12 F36"
_cell_length_a 15.433071000000002
_cell_length_b 6.033028
_cell_length_c 9.903223
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | c8082afc-a8bb-479a-93a8-ef40fb75d6b1 | mp-600154 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural K4Cu2H16C8O24
_chemical_formula_sum "K4 Cu2 H16 C8 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural K4Cu2H16C8O24K4Cu2H16C8O24K4Cu2H16C8O24K4Cu2H16C8O24
_chemical_formula_sum "K16 Cu8 H64 C32 O96"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 45.65255568
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 6810ac43-a271-4a2e-9541-b9fcb68a55c8 | mp-1022597 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Li2Mg12Zn2
_chemical_formula_sum "Li2 Mg12 Zn2"
_cell_length_a 5.039699
_cell_length_b 6.281844
_cell_length_c 10.75027
_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 Li2Mg12Zn2Li2Mg12Zn2Li2Mg12Zn2Li2Mg12Zn2Li2Mg12Zn2Li2Mg12Zn2
_chemical_formula_sum "Li12 Mg72 Zn12"
_cell_length_a 5.039699
_cell_length_b 18.845532000000002
_cell_length_c 21.50054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 3a0a6fce-a148-4cde-a3d1-afcd42fe65a5 | mp-1180177 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Mn4N4Cl12
_chemical_formula_sum "Mn4 N4 Cl12"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4N4Cl12Mn4N4Cl12
_chemical_formula_sum "Mn8 N8 Cl24"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 18.990276
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_al... |
SuperCellAction | ad0a953a-caeb-470b-a4ba-634f903a9b1a | mp-1175386 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.044997
_cell_length_b 6.58957371
_cell_length_c 8.8970701
_cell_angle_alpha 97.82224007
_cell_angle_beta 96.29207072000001
_cell_angle_gamma 97.54886918
_space_g... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li72 Mn16 Co40 O128"
_cell_length_a 20.179988
_cell_length_b 6.58957371
_cell_length_c 17.7941402
_cell_angle_alpha 97.... |
SuperCellAction | 067cf2f8-e8da-4c74-8aa7-3e90cdb4b23b | mp-18973 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20
_chemical_formula_sum "Co24 Se48 O120"
_cell_length_a 6.03250795
_cell_length_b 13.709087280000002
_cell_length_c 30.98064615
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.9993... |
SuperCellAction | 8dc4a248-233c-49b1-9374-5bd1d63c949f | mp-1045114 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16Al2V6Se4Cl2O16Al2V6Se4Cl2O16Al2V6Se4Cl2O16
_chemical_formula_sum "Al8 V24 Se16 Cl8 O64"
_cell_length_a 6.64995
_cell_length_b 16.0084249
_cell_length_c 19.96220506
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.337042... |
SuperCellAction | 5ae86b49-cd02-4d59-8ae2-1b37e9f6ee34 | mp-28457 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... | data_image0
_chemical_formula_structural Ba2Ta15O32Ba2Ta15O32
_chemical_formula_sum "Ba4 Ta30 O64"
_cell_length_a 25.4218592
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.7... |
SuperCellAction | 19916b57-7567-423c-a58c-23c8f1b5038b | mp-556103 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Cs18Ga12F54
_chemical_formula_sum "Cs18 Ga12 F54"
_cell_length_a 11.11359783
_cell_length_b 11.11359783
_cell_length_c 15.215299
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs18Ga12F54Cs18Ga12F54Cs18Ga12F54
_chemical_formula_sum "Cs54 Ga36 F162"
_cell_length_a 11.11359783
_cell_length_b 33.340793489999996
_cell_length_c 15.215299
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.999998... |
SuperCellAction | c704947e-c3d8-4414-8d72-536eafb14cb3 | mp-560175 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Na8Th2Mo8O32
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... | data_image0
_chemical_formula_structural Na8Th2Mo8O32Na8Th2Mo8O32Na8Th2Mo8O32Na8Th2Mo8O32Na8Th2Mo8O32Na8Th2Mo8O32Na8Th2Mo8O32Na8Th2Mo8O32
_chemical_formula_sum "Na64 Th16 Mo64 O256"
_cell_length_a 20.3635419
_cell_length_b 20.3635419
_cell_length_c 20.3635419
_cell_angle_alpha 11... |
SuperCellAction | aefe9d49-cfb4-405d-9f49-2a43dc2c954e | mp-756652 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Co4P4O16
_chemical_formula_sum "Co4 P4 O16"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... | data_image0
_chemical_formula_structural Co4P4O16Co4P4O16
_chemical_formula_sum "Co8 P8 O32"
_cell_length_a 5.737084
_cell_length_b 12.861237180000002
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
... |
SuperCellAction | cbb3dd84-db5f-4358-a01b-f15fc239caec | mp-1046251 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16Ta4Zn4W2O16Ta4Zn4W2O16Ta4Zn4W2O16Ta4Zn4W2O16Ta4Zn4W2O16Ta4Zn4W2O16Ta4Zn4W2O16
_chemical_formula_sum "Ta32 Zn32 W16 O128"
_cell_length_a 21.377588
_cell_length_b 5.98332699
_cell_length_c 20.5204166
_cell_angle_alpha 105.03537055... |
SuperCellAction | f2a154c0-6695-48ec-9837-cc7b39d8df87 | mp-3855 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Be4F16Na8Be4F16Na8Be4F16Na8Be4F16Na8Be4F16Na8Be4F16
_chemical_formula_sum "Na48 Be24 F96"
_cell_length_a 7.91401356
_cell_length_b 16.513594949999998
_cell_length_c 17.46178296
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_ce... |
SuperCellAction | f4e8b3b4-d07a-43df-a1c7-b18875cbfcfe | mp-1203399 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Sm3Cd33
_chemical_formula_sum "Sm3 Cd33"
_cell_length_a 9.32185955
_cell_length_b 9.32186058
_cell_length_c 9.32186162
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Sm3Cd33Sm3Cd33Sm3Cd33Sm3Cd33Sm3Cd33Sm3Cd33Sm3Cd33Sm3Cd33
_chemical_formula_sum "Sm24 Cd264"
_cell_length_a 18.6437191
_cell_length_b 9.32186058
_cell_length_c 37.28744648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | b5c4bf4b-3dde-4cee-9a06-3e8f491e020f | mp-1226097 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Cr6Co2CuSe12
_chemical_formula_sum "Cr6 Co2 Cu1 Se12"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_grou... | data_image0
_chemical_formula_structural Cr6Co2CuSe12Cr6Co2CuSe12Cr6Co2CuSe12
_chemical_formula_sum "Cr18 Co6 Cu3 Se36"
_cell_length_a 6.6299315
_cell_length_b 19.8897945
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma ... |
SuperCellAction | 5e94ff51-0378-467b-acc4-7a61f25549a5 | mp-694989 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Sr2Nd10Fe12As12O12
_chemical_formula_sum "Sr2 Nd10 Fe12 As12 O12"
_cell_length_a 9.178751
_cell_length_b 10.1941072
_cell_length_c 11.60651037
_cell_angle_alpha 73.43616720999998
_cell_angle_beta 71.52431736
_cell_angle_gamma 68.786... | data_image0
_chemical_formula_structural Sr2Nd10Fe12As12O12Sr2Nd10Fe12As12O12Sr2Nd10Fe12As12O12Sr2Nd10Fe12As12O12
_chemical_formula_sum "Sr8 Nd40 Fe48 As48 O48"
_cell_length_a 18.357502
_cell_length_b 10.1941072
_cell_length_c 23.21302074
_cell_angle_alpha 73.43616720999998
_cell... |
SuperCellAction | f38cd134-fd8a-46cf-8a4b-4635521b9144 | mp-1102445 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Pr3Ni9
_chemical_formula_sum "Pr3 Ni9"
_cell_length_a 5.01960227
_cell_length_b 5.01960227
_cell_length_c 8.70414
_cell_angle_alpha 73.24105786
_cell_angle_beta 73.24105786
_cell_angle_gamma 59.999987250000004
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr3Ni9Pr3Ni9Pr3Ni9Pr3Ni9Pr3Ni9Pr3Ni9
_chemical_formula_sum "Pr18 Ni54"
_cell_length_a 15.05880681
_cell_length_b 5.01960227
_cell_length_c 17.40828
_cell_angle_alpha 73.24105786
_cell_angle_beta 73.24105786
_cell_angle_gamma 59.9999... |
SuperCellAction | 7f8d1a0d-2e34-47b6-90c8-0d004dda5ef0 | mp-559303 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Mo4S12N8Cl32
_chemical_formula_sum "Mo4 S12 N8 Cl32"
_cell_length_a 16.692566
_cell_length_b 7.676201
_cell_length_c 12.989569700000002
_cell_angle_alpha 66.63816147000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Mo4S12N8Cl32Mo4S12N8Cl32Mo4S12N8Cl32Mo4S12N8Cl32Mo4S12N8Cl32Mo4S12N8Cl32Mo4S12N8Cl32Mo4S12N8Cl32
_chemical_formula_sum "Mo32 S96 N64 Cl256"
_cell_length_a 66.770264
_cell_length_b 15.352402
_cell_length_c 12.989569700000002
_cell_angle_alpha ... |
SuperCellAction | 41e2a5d9-6814-44e8-a55c-9e6ada827874 | mp-752 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Mn30Si52
_chemical_formula_sum "Mn30 Si52"
_cell_length_a 5.49601688
_cell_length_b 5.49601714
_cell_length_c 32.7908174
_cell_angle_alpha 94.80726195
_cell_angle_beta 94.80726148
_cell_angle_gamma 90.00000368
_space_group_name_H-M... | data_image0
_chemical_formula_structural Mn30Si52Mn30Si52Mn30Si52Mn30Si52Mn30Si52Mn30Si52Mn30Si52Mn30Si52
_chemical_formula_sum "Mn240 Si416"
_cell_length_a 5.49601688
_cell_length_b 21.98406856
_cell_length_c 65.5816348
_cell_angle_alpha 94.80726195
_cell_angle_beta 94.80726... |
SuperCellAction | bdcca361-9454-4607-bc6c-4a74baadbb9d | mp-13211 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14Ag4Te4O14
_chemical_formula_sum "Ag8 Te8 O28"
_cell_length_a 7.32596274
_cell_length_b 14.65184832
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.5361083200... |
SuperCellAction | 376cc9bd-d8bf-49b5-a31e-86fb8a90eea2 | mp-1246483 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 Li12Re2N8Li12Re2N8Li12Re2N8Li12Re2N8Li12Re2N8Li12Re2N8Li12Re2N8Li12Re2N8
_chemical_formula_sum "Li96 Re16 N64"
_cell_length_a 26.959572
_cell_length_b 6.739893
_cell_length_c 9.755924
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 853fbc4c-ab12-47de-9289-e311874dce4d | mp-27148 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be8P16Be8P16
_chemical_formula_sum "Be16 P32"
_cell_length_a 14.19119498
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_gr... |
SuperCellAction | b1c7f733-dc4e-42e2-85ba-ca4aea1338d9 | mp-559136 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Ca4H32N8O40
_chemical_formula_sum "Ca4 H32 N8 O40"
_cell_length_a 9.08121717
_cell_length_b 6.04514035
_cell_length_c 14.66438184
_cell_angle_alpha 73.16406171
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4H32N8O40Ca4H32N8O40Ca4H32N8O40Ca4H32N8O40
_chemical_formula_sum "Ca16 H128 N32 O160"
_cell_length_a 18.16243434
_cell_length_b 6.04514035
_cell_length_c 29.32876368
_cell_angle_alpha 73.16406171
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 5d4414cd-6705-419b-860b-c9efd36e4361 | mp-1044904 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28Y4Si2Sb2W13O28Y4Si2Sb2W13O28Y4Si2Sb2W13O28Y4Si2Sb2W13O28Y4Si2Sb2W13O28Y4Si2Sb2W13O28Y4Si2Sb2W13O28
_chemical_formula_sum "Y32 Si16 Sb16 W104 O224"
_cell_length_a 25.95160146
_cell_length_b 51.90320292
_cell_length_c 9.6245407499... |
SuperCellAction | 15faefb4-4ab1-4156-9301-3c758a900a56 | mp-1341052 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Ca4W4O10
_chemical_formula_sum "Ca4 W4 O10"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Ca4W4O10Ca4W4O10Ca4W4O10Ca4W4O10
_chemical_formula_sum "Ca16 W16 O40"
_cell_length_a 3.976709
_cell_length_b 21.969012
_cell_length_c 10.984542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 35298624-de2c-454d-9f6e-c3db106cddaf | mp-1036398 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_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 Mg14AlBO16Mg14AlBO16Mg14AlBO16Mg14AlBO16
_chemical_formula_sum "Mg56 Al4 B4 O64"
_cell_length_a 16.87980072
_cell_length_b 16.87980072
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
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