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 | 36ad14a3-c7b5-41f8-9bfd-1ca7babf82dd | mp-29226 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... | data_image0
_chemical_formula_structural Ca9Ga12O27Ca9Ga12O27Ca9Ga12O27Ca9Ga12O27Ca9Ga12O27Ca9Ga12O27Ca9Ga12O27Ca9Ga12O27
_chemical_formula_sum "Ca72 Ga96 O216"
_cell_length_a 11.05868684
_cell_length_b 22.117373680000004
_cell_length_c 21.29815464
_cell_angle_alpha 90.0
_cell_an... |
SuperCellAction | 85bb987d-1f7f-4c32-934c-1989d907f500 | mp-15659 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Sb4Pt6
_chemical_formula_sum "Sb4 Pt6"
_cell_length_a 5.34933934
_cell_length_b 6.54087588
_cell_length_c 6.94585597
_cell_angle_alpha 118.09182981
_cell_angle_beta 112.67539311
_cell_angle_gamma 89.99638829
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sb4Pt6Sb4Pt6Sb4Pt6Sb4Pt6Sb4Pt6Sb4Pt6Sb4Pt6Sb4Pt6
_chemical_formula_sum "Sb32 Pt48"
_cell_length_a 21.39735736
_cell_length_b 13.08175176
_cell_length_c 6.94585597
_cell_angle_alpha 118.09182981
_cell_angle_beta 112.67539311
_cell_angle... |
SuperCellAction | 03099e9e-cbd7-41d7-bd76-ca02898d723c | mp-1079634 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Tb4Sn2Au4Tb4Sn2Au4Tb4Sn2Au4Tb4Sn2Au4Tb4Sn2Au4Tb4Sn2Au4
_chemical_formula_sum "Tb24 Sn12 Au24"
_cell_length_a 23.74979427
_cell_length_b 15.833196179999998
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 46e07415-e58b-4be9-bf2d-d473e6f0560d | mp-1235023 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZn2Fe4O8LiZn2Fe4O8LiZn2Fe4O8LiZn2Fe4O8
_chemical_formula_sum "Li4 Zn8 Fe16 O32"
_cell_length_a 12.3115316
_cell_length_b 6.155765599999999
_cell_length_c 11.83395096
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_c... |
SuperCellAction | bf4b5fee-7769-4afb-9d72-53f6ea944bcd | mp-2230736 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Rb4MgV4O10
_chemical_formula_sum "Rb4 Mg1 V4 O10"
_cell_length_a 5.80427581
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma 89.23265963000001
_... | data_image0
_chemical_formula_structural Rb4MgV4O10Rb4MgV4O10Rb4MgV4O10Rb4MgV4O10Rb4MgV4O10Rb4MgV4O10
_chemical_formula_sum "Rb24 Mg6 V24 O60"
_cell_length_a 17.41282743
_cell_length_b 12.2011548
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta ... |
SuperCellAction | fd8cc99e-9753-474e-8144-f3146d52e2d0 | mp-1194859 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al4V4Te8O32Al4V4Te8O32
_chemical_formula_sum "Al8 V8 Te16 O64"
_cell_length_a 16.209686
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name... |
SuperCellAction | 93e97784-07f6-4608-a103-63151d9dc41c | mp-1112917 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Cs2ErCuCl6
_chemical_formula_sum "Cs2 Er1 Cu1 Cl6"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 7.42327063
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2ErCuCl6Cs2ErCuCl6Cs2ErCuCl6Cs2ErCuCl6
_chemical_formula_sum "Cs8 Er4 Cu4 Cl24"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 29.69308252
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_ce... |
SuperCellAction | d23df4b7-14c1-440c-80a8-ca4988febb7a | mp-754544 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural K12V4P4C4O28
_chemical_formula_sum "K12 V4 P4 C4 O28"
_cell_length_a 5.69644773
_cell_length_b 9.673654089999998
_cell_length_c 13.990668999999999
_cell_angle_alpha 89.99900283
_cell_angle_beta 90.00185964
_cell_angle_gamma 89.95474... | data_image0
_chemical_formula_structural K12V4P4C4O28K12V4P4C4O28K12V4P4C4O28K12V4P4C4O28K12V4P4C4O28K12V4P4C4O28K12V4P4C4O28K12V4P4C4O28
_chemical_formula_sum "K96 V32 P32 C32 O224"
_cell_length_a 5.69644773
_cell_length_b 38.69461635999999
_cell_length_c 27.981337999999997
_cell_a... |
SuperCellAction | 883c152a-1edd-4e2d-a2a7-bb35404185bb | mp-2217356 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2YMgBiO6Ba2YMgBiO6Ba2YMgBiO6Ba2YMgBiO6
_chemical_formula_sum "Ba8 Y4 Mg4 Bi4 O24"
_cell_length_a 12.67986602
_cell_length_b 12.678186859999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937... |
SuperCellAction | a47ec5af-232e-4736-a1e2-a73ee2ec77c8 | mp-989179 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Mo8H2S16
_chemical_formula_sum "Mo8 H2 S16"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 Mo8H2S16Mo8H2S16Mo8H2S16Mo8H2S16Mo8H2S16Mo8H2S16
_chemical_formula_sum "Mo48 H12 S96"
_cell_length_a 6.289508
_cell_length_b 39.103314
_cell_length_c 29.668735
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | edb7a50b-d67d-41c3-8134-e4a5346fbd0b | mp-558525 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V16Fe8O52V16Fe8O52V16Fe8O52V16Fe8O52
_chemical_formula_sum "V64 Fe32 O208"
_cell_length_a 37.67677836
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 2e9fef5b-106c-4ba1-9993-9cb9817e8edd | mp-1247690 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural SrCa7Mn8O24
_chemical_formula_sum "Sr1 Ca7 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural SrCa7Mn8O24SrCa7Mn8O24SrCa7Mn8O24SrCa7Mn8O24SrCa7Mn8O24SrCa7Mn8O24
_chemical_formula_sum "Sr6 Ca42 Mn48 O144"
_cell_length_a 22.856793
_cell_length_b 7.618931
_cell_length_c 15.237862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 9428d37a-38d6-4df8-b9af-b9512021c4df | mp-755675 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Li4AlCr3O8
_chemical_formula_sum "Li4 Al1 Cr3 O8"
_cell_length_a 5.07750464
_cell_length_b 5.915706729999999
_cell_length_c 5.85155662
_cell_angle_alpha 119.64187088
_cell_angle_beta 90.00106798000002
_cell_angle_gamma 73.41573531
... | data_image0
_chemical_formula_structural Li4AlCr3O8Li4AlCr3O8Li4AlCr3O8Li4AlCr3O8Li4AlCr3O8Li4AlCr3O8Li4AlCr3O8Li4AlCr3O8
_chemical_formula_sum "Li32 Al8 Cr24 O64"
_cell_length_a 10.15500928
_cell_length_b 11.831413459999998
_cell_length_c 11.70311324
_cell_angle_alpha 119.641870... |
SuperCellAction | 319a2f7d-2de5-4d93-8022-80117dfba44b | mp-706913 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Be2H16N4O20
_chemical_formula_sum "Be2 H16 N4 O20"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space_group_n... | data_image0
_chemical_formula_structural Be2H16N4O20Be2H16N4O20Be2H16N4O20Be2H16N4O20Be2H16N4O20Be2H16N4O20
_chemical_formula_sum "Be12 H96 N24 O120"
_cell_length_a 8.86449396
_cell_length_b 17.72898792
_cell_length_c 26.593481880000002
_cell_angle_alpha 97.2495202
_cell_angle_be... |
SuperCellAction | 45306a7c-9641-483c-b8f8-5dda873bc48b | mp-1040902 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural Mg4Cr8P8O32Mg4Cr8P8O32Mg4Cr8P8O32
_chemical_formula_sum "Mg12 Cr24 P24 O96"
_cell_length_a 27.6768747
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 3... |
SuperCellAction | 2b81f406-b0e7-40a0-a913-13432ab44989 | mp-1041051 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Ca6V12O24
_chemical_formula_sum "Ca6 V12 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... | data_image0
_chemical_formula_structural Ca6V12O24Ca6V12O24Ca6V12O24Ca6V12O24Ca6V12O24Ca6V12O24Ca6V12O24Ca6V12O24
_chemical_formula_sum "Ca48 V96 O192"
_cell_length_a 12.60352112
_cell_length_b 25.20704224
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle... |
SuperCellAction | c78a1b16-619b-4a53-8f7c-0a2abd959ef9 | mp-542493 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... | data_image0
_chemical_formula_structural Sc10Co8Si20Sc10Co8Si20Sc10Co8Si20Sc10Co8Si20Sc10Co8Si20Sc10Co8Si20
_chemical_formula_sum "Sc60 Co48 Si120"
_cell_length_a 35.86235043
_cell_length_b 23.90827224
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_be... |
SuperCellAction | d6d2a153-d40e-42a5-8826-4146fc47208e | mp-23137 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Ba2YBiO6
_chemical_formula_sum "Ba2 Y1 Bi1 O6"
_cell_length_a 6.16635721
_cell_length_b 6.16635721
_cell_length_c 6.16635721
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Ba2YBiO6Ba2YBiO6Ba2YBiO6Ba2YBiO6Ba2YBiO6Ba2YBiO6Ba2YBiO6Ba2YBiO6
_chemical_formula_sum "Ba16 Y8 Bi8 O48"
_cell_length_a 12.33271442
_cell_length_b 24.66542884
_cell_length_c 6.16635721
_cell_angle_alpha 59.999999999999986
_cell_angle_beta ... |
SuperCellAction | 66fc6e79-a3f6-46cd-8dd5-9565dc9e5c21 | mp-1223688 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural La2Fe10Bi8O30
_chemical_formula_sum "La2 Fe10 Bi8 O30"
_cell_length_a 5.583138
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_angle_gamma 102.87975701
_... | data_image0
_chemical_formula_structural La2Fe10Bi8O30La2Fe10Bi8O30La2Fe10Bi8O30
_chemical_formula_sum "La6 Fe30 Bi24 O90"
_cell_length_a 16.749414
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_an... |
SuperCellAction | ebb650e3-d089-4ff2-9625-c6de74466e83 | mp-1522181 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural NaLaSe4O12
_chemical_formula_sum "Na1 La1 Se4 O12"
_cell_length_a 6.15485582
_cell_length_b 6.15485582
_cell_length_c 7.40850818
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.01424357
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural NaLaSe4O12NaLaSe4O12NaLaSe4O12NaLaSe4O12
_chemical_formula_sum "Na4 La4 Se16 O48"
_cell_length_a 6.15485582
_cell_length_b 6.15485582
_cell_length_c 29.63403272
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.0142... |
SuperCellAction | 6a69ba11-cfe1-4c9e-be0c-91589df286cd | mp-758131 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural V2P2H14N4O10
_chemical_formula_sum "V2 P2 H14 N4 O10"
_cell_length_a 4.959453
_cell_length_b 6.907673
_cell_length_c 8.562102240000002
_cell_angle_alpha 89.04946141
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural V2P2H14N4O10V2P2H14N4O10V2P2H14N4O10V2P2H14N4O10
_chemical_formula_sum "V8 P8 H56 N16 O40"
_cell_length_a 4.959453
_cell_length_b 6.907673
_cell_length_c 34.248408960000006
_cell_angle_alpha 89.04946141
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 1b13bf7d-0847-41e7-8f80-68795542d46a | mp-1103082 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Sm2Co6Ni2B2
_chemical_formula_sum "Sm2 Co6 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm2Co6Ni2B2Sm2Co6Ni2B2Sm2Co6Ni2B2Sm2Co6Ni2B2Sm2Co6Ni2B2Sm2Co6Ni2B2Sm2Co6Ni2B2Sm2Co6Ni2B2
_chemical_formula_sum "Sm16 Co48 Ni16 B16"
_cell_length_a 10.04983936
_cell_length_b 5.0237182
_cell_length_c 27.492708
_cell_angle_alpha 90.0
_cell_a... |
SuperCellAction | 3b86ecbc-3096-4a8d-ac38-a39b21b3b642 | mp-4338 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Cr4Cd2S8
_chemical_formula_sum "Cr4 Cd2 S8"
_cell_length_a 7.2747481
_cell_length_b 7.27475351
_cell_length_c 7.27475428
_cell_angle_alpha 59.99988900999998
_cell_angle_beta 59.99983312
_cell_angle_gamma 59.99973922999999
_space_gr... | data_image0
_chemical_formula_structural Cr4Cd2S8Cr4Cd2S8Cr4Cd2S8Cr4Cd2S8Cr4Cd2S8Cr4Cd2S8
_chemical_formula_sum "Cr24 Cd12 S48"
_cell_length_a 7.2747481
_cell_length_b 21.82426053
_cell_length_c 14.54950856
_cell_angle_alpha 59.99988901
_cell_angle_beta 59.99983312
_cell_angl... |
SuperCellAction | eb90efd8-6be0-44c4-9c52-97ae376aa8c4 | mp-1205713 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Ba2YUO6
_chemical_formula_sum "Ba2 Y1 U1 O6"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Ba2YUO6Ba2YUO6
_chemical_formula_sum "Ba4 Y2 U2 O12"
_cell_length_a 12.4780588
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
SuperCellAction | fd72e455-9ab7-42be-89a6-d0a195076341 | mp-772666 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... | data_image0
_chemical_formula_structural Li4Cr4O14Li4Cr4O14Li4Cr4O14Li4Cr4O14
_chemical_formula_sum "Li16 Cr16 O56"
_cell_length_a 7.362134
_cell_length_b 28.89498532
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamm... |
SuperCellAction | 8644064d-60c0-4f71-8dd1-4d14dc5181fb | mp-640883 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural V8Bi8Pb16O48
_chemical_formula_sum "V8 Bi8 Pb16 O48"
_cell_length_a 5.824733
_cell_length_b 7.909258
_cell_length_c 30.358000030000003
_cell_angle_alpha 79.68016401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural V8Bi8Pb16O48V8Bi8Pb16O48V8Bi8Pb16O48V8Bi8Pb16O48V8Bi8Pb16O48V8Bi8Pb16O48V8Bi8Pb16O48V8Bi8Pb16O48
_chemical_formula_sum "V64 Bi64 Pb128 O384"
_cell_length_a 5.824733
_cell_length_b 31.637032
_cell_length_c 60.716000060000006
_cell_angle_alpha ... |
SuperCellAction | 6f67c795-3c18-4b78-b527-0035e60b4774 | mp-7998 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge4O10Li4Ge4O10
_chemical_formula_sum "Li8 Ge8 O20"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 9.89811822
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_... |
SuperCellAction | e1f22690-db18-446a-ba14-bb31e5178c84 | mp-768696 | Create a supercell with the size 3x1x1. | 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 15.43593465
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_... |
SuperCellAction | c45e05f3-7e9d-4f60-90cf-234b1b5b58f6 | mp-9619 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12ThFe4P12ThFe4P12ThFe4P12
_chemical_formula_sum "Th4 Fe16 P48"
_cell_length_a 26.92596948
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.... |
SuperCellAction | 836fd043-7a2a-413c-b082-698141384a73 | mp-1110571 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6Na3CrF6Na3CrF6Na3CrF6
_chemical_formula_sum "Na12 Cr4 F24"
_cell_length_a 11.59944
_cell_length_b 11.59944026
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.000000720... |
SuperCellAction | a7ed3a13-f31b-4de8-933c-6b6e482c556c | mp-2230574 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural La4MgMo2O12
_chemical_formula_sum "La4 Mg1 Mo2 O12"
_cell_length_a 5.64825642
_cell_length_b 5.9321261199999995
_cell_length_c 8.02016812
_cell_angle_alpha 88.89142471
_cell_angle_beta 92.23505318
_cell_angle_gamma 89.13409609
_spa... | data_image0
_chemical_formula_structural La4MgMo2O12La4MgMo2O12
_chemical_formula_sum "La8 Mg2 Mo4 O24"
_cell_length_a 11.29651284
_cell_length_b 5.9321261199999995
_cell_length_c 8.02016812
_cell_angle_alpha 88.89142471
_cell_angle_beta 92.23505318
_cell_angle_gamma 89.13... |
SuperCellAction | 3aee3af8-45ab-428c-b260-5a0f5c6caa83 | mp-1019732 | Create a supercell with the size 1×2×3. | 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 Eu4Al8O16Eu4Al8O16Eu4Al8O16Eu4Al8O16Eu4Al8O16Eu4Al8O16
_chemical_formula_sum "Eu24 Al48 O96"
_cell_length_a 8.78679975
_cell_length_b 10.31797966
_cell_length_c 25.24728111
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | db9bc1c6-f9cc-466b-8fcc-99bbff62f0a1 | mp-1103079 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Sm4Ga4Ni4
_chemical_formula_sum "Sm4 Ga4 Ni4"
_cell_length_a 4.38833465
_cell_length_b 7.01560545
_cell_length_c 7.18198278
_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 Sm4Ga4Ni4Sm4Ga4Ni4Sm4Ga4Ni4Sm4Ga4Ni4
_chemical_formula_sum "Sm16 Ga16 Ni16"
_cell_length_a 17.5533386
_cell_length_b 7.01560545
_cell_length_c 7.18198278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | dd7c12a4-4d67-481c-a9b7-e1788c99a742 | mp-541140 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Tl12Fe8S16
_chemical_formula_sum "Tl12 Fe8 S16"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_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 Tl12Fe8S16Tl12Fe8S16Tl12Fe8S16Tl12Fe8S16Tl12Fe8S16Tl12Fe8S16
_chemical_formula_sum "Tl72 Fe48 S96"
_cell_length_a 14.964602
_cell_length_b 31.928445000000004
_cell_length_c 11.309137
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | f90b147f-f7b7-4e4e-bff4-fd87747cb5aa | mp-1205669 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Ba2YMoO6
_chemical_formula_sum "Ba2 Y1 Mo1 O6"
_cell_length_a 6.0192691
_cell_length_b 6.019269100000001
_cell_length_c 6.0192691
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Ba2YMoO6Ba2YMoO6Ba2YMoO6
_chemical_formula_sum "Ba6 Y3 Mo3 O18"
_cell_length_a 6.0192691
_cell_length_b 6.019269100000001
_cell_length_c 18.0578073
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamm... |
SuperCellAction | 4228f5c5-0c48-431a-960f-c0eabe12cf1c | mp-567735 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Nd10Si6
_chemical_formula_sum "Nd10 Si6"
_cell_length_a 7.82581624
_cell_length_b 7.82581132
_cell_length_c 8.89325755
_cell_angle_alpha 116.10147128
_cell_angle_beta 116.10077918999998
_cell_angle_gamma 89.99726154
_space_group_na... | data_image0
_chemical_formula_structural Nd10Si6Nd10Si6
_chemical_formula_sum "Nd20 Si12"
_cell_length_a 7.82581624
_cell_length_b 7.82581132
_cell_length_c 17.7865151
_cell_angle_alpha 116.10147128
_cell_angle_beta 116.10077918999998
_cell_angle_gamma 89.99726154
_space_... |
SuperCellAction | 1d1cd465-08c1-483c-9256-08c010e5dc9d | mp-622785 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Fe16S16N16O16
_chemical_formula_sum "Fe16 S16 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Fe16S16N16O16Fe16S16N16O16Fe16S16N16O16Fe16S16N16O16Fe16S16N16O16Fe16S16N16O16
_chemical_formula_sum "Fe96 S96 N96 O96"
_cell_length_a 31.305117
_cell_length_b 11.217004
_cell_length_c 30.585106699999997
_cell_angle_alpha 58.19865374999999... |
SuperCellAction | 1eab4747-4b0b-460f-bc78-1b52263e4f7a | mp-1075490 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Mg10Si12
_chemical_formula_sum "Mg10 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg10Si12Mg10Si12Mg10Si12Mg10Si12Mg10Si12Mg10Si12
_chemical_formula_sum "Mg60 Si72"
_cell_length_a 11.28687
_cell_length_b 14.924468
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | 32c47a42-e96f-458b-a420-d821ec1e0191 | mp-559695 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Cs2RbBiF6
_chemical_formula_sum "Cs2 Rb1 Bi1 F6"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Cs2RbBiF6Cs2RbBiF6Cs2RbBiF6
_chemical_formula_sum "Cs6 Rb3 Bi3 F18"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 21.1593219
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angl... |
SuperCellAction | ef2e5366-78a3-489d-a629-4f96744dd4bd | mp-1218118 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSm3Mn4O12SrSm3Mn4O12SrSm3Mn4O12SrSm3Mn4O12SrSm3Mn4O12SrSm3Mn4O12
_chemical_formula_sum "Sr6 Sm18 Mn24 O72"
_cell_length_a 15.519694
_cell_length_b 16.400261999999998
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_bet... |
SuperCellAction | 2783e422-a991-491f-a01a-192eae6bbeef | mp-695887 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural K3Cu2P4HO14
_chemical_formula_sum "K3 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... | data_image0
_chemical_formula_structural K3Cu2P4HO14K3Cu2P4HO14K3Cu2P4HO14K3Cu2P4HO14
_chemical_formula_sum "K12 Cu8 P16 H4 O56"
_cell_length_a 21.04698136
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_a... |
SuperCellAction | 56a372e6-756a-4421-b77a-5760ec141166 | mp-1199758 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Fe4H32N12O52
_chemical_formula_sum "Fe4 H32 N12 O52"
_cell_length_a 14.96349093
_cell_length_b 7.04897543
_cell_length_c 11.04619457
_cell_angle_alpha 56.76809556
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Fe4H32N12O52Fe4H32N12O52Fe4H32N12O52Fe4H32N12O52Fe4H32N12O52Fe4H32N12O52
_chemical_formula_sum "Fe24 H192 N72 O312"
_cell_length_a 14.96349093
_cell_length_b 14.09795086
_cell_length_c 33.13858371
_cell_angle_alpha 56.76809556
_cell_angle_... |
SuperCellAction | ed9cbf14-1af0-4e1a-b544-dc844f3dad5c | mp-1217522 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Tb4Ta4Ti4O24
_chemical_formula_sum "Tb4 Ta4 Ti4 O24"
_cell_length_a 5.250565
_cell_length_b 7.45333
_cell_length_c 11.090216
_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 Tb4Ta4Ti4O24Tb4Ta4Ti4O24Tb4Ta4Ti4O24Tb4Ta4Ti4O24Tb4Ta4Ti4O24Tb4Ta4Ti4O24Tb4Ta4Ti4O24Tb4Ta4Ti4O24
_chemical_formula_sum "Tb32 Ta32 Ti32 O192"
_cell_length_a 10.50113
_cell_length_b 7.45333
_cell_length_c 44.360864
_cell_angle_alpha 90.0
_ce... |
SuperCellAction | 9fac55f2-8a29-4557-b90d-a5613fe33f98 | mp-1518352 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural CaEuZrVO6
_chemical_formula_sum "Ca1 Eu1 Zr1 V1 O6"
_cell_length_a 5.67914791
_cell_length_b 5.67914791
_cell_length_c 5.679147909999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural CaEuZrVO6CaEuZrVO6CaEuZrVO6CaEuZrVO6CaEuZrVO6CaEuZrVO6
_chemical_formula_sum "Ca6 Eu6 Zr6 V6 O36"
_cell_length_a 11.35829582
_cell_length_b 17.03744373
_cell_length_c 5.679147909999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | 58519cf5-67cf-4aa2-bd87-3f6b1a8665a9 | mp-1199320 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Na8Cr4P8O30
_chemical_formula_sum "Na8 Cr4 P8 O30"
_cell_length_a 9.877316
_cell_length_b 7.865719
_cell_length_c 10.52743636
_cell_angle_alpha 54.48099449
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Na8Cr4P8O30Na8Cr4P8O30Na8Cr4P8O30
_chemical_formula_sum "Na24 Cr12 P24 O90"
_cell_length_a 9.877316
_cell_length_b 7.865719
_cell_length_c 31.582309079999998
_cell_angle_alpha 54.48099449
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | ed96ae63-a8a3-4ad2-943f-5ff1f9b52aa4 | mp-30823 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Pu10Os6
_chemical_formula_sum "Pu10 Os6"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pu10Os6Pu10Os6Pu10Os6Pu10Os6Pu10Os6Pu10Os6
_chemical_formula_sum "Pu60 Os36"
_cell_length_a 24.69864858
_cell_length_b 8.23288286
_cell_length_c 16.46576572
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma ... |
SuperCellAction | 48470461-72fc-40d5-a44c-535be90b8677 | mp-1207393 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Zr6Ga10
_chemical_formula_sum "Zr6 Ga10"
_cell_length_a 5.68468778
_cell_length_b 5.684686339999999
_cell_length_c 9.00047642
_cell_angle_alpha 90.00156011999998
_cell_angle_beta 90.00158053
_cell_angle_gamma 102.60473413999999
_sp... | data_image0
_chemical_formula_structural Zr6Ga10Zr6Ga10Zr6Ga10Zr6Ga10
_chemical_formula_sum "Zr24 Ga40"
_cell_length_a 11.36937556
_cell_length_b 11.369372679999998
_cell_length_c 9.00047642
_cell_angle_alpha 90.00156011999998
_cell_angle_beta 90.00158053
_cell_angle_gamma ... |
SuperCellAction | 8dbe0b9f-5648-4394-8f7a-67dec8da4f5f | mp-1224145 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural K8Mo8P8O44K8Mo8P8O44K8Mo8P8O44K8Mo8P8O44
_chemical_formula_sum "K32 Mo32 P32 O176"
_cell_length_a 10.3004
_cell_length_b 40.153416
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | 3267489b-d660-41ad-a650-8d3db0075f6e | mp-558805 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B8O24Na12Nd4B8O24
_chemical_formula_sum "Na24 Nd8 B16 O48"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 24.37872376
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | a59fc250-9f25-40d8-9dd0-00f9a84f4a22 | mp-27187 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Be8Tl4F20
_chemical_formula_sum "Be8 Tl4 F20"
_cell_length_a 4.62468618
_cell_length_b 8.04797323
_cell_length_c 12.20578461
_cell_angle_alpha 88.51685112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Be8Tl4F20Be8Tl4F20
_chemical_formula_sum "Be16 Tl8 F40"
_cell_length_a 9.24937236
_cell_length_b 8.04797323
_cell_length_c 12.20578461
_cell_angle_alpha 88.51685112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SuperCellAction | 9203cb43-d217-4614-85e2-838f0f1a27ea | mp-1196630 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12Fe2Cu16Sb6S26N12Fe2Cu16Sb6S26N12Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe8 Cu64 Sb24 S104 N48"
_cell_length_a 12.46461247
_cell_length_b 49.85844988
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_ang... |
SuperCellAction | 58139135-a116-461b-a4cf-ee5acd371e08 | mp-1103985 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd9Pt6Nd9Pt6
_chemical_formula_sum "Nd18 Pt12"
_cell_length_a 15.4034539
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.3894041... |
SuperCellAction | 017d36f6-f6a2-4cf4-a7bc-553ed1125a71 | mp-26956 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 V4P16O48V4P16O48V4P16O48V4P16O48
_chemical_formula_sum "V16 P64 O192"
_cell_length_a 16.821164
_cell_length_b 9.194688
_cell_length_c 25.733086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | a5304baa-bebf-4dd4-b7cd-9404f0d9e524 | mp-1212166 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Li2Eu2W4O16
_chemical_formula_sum "Li2 Eu2 W4 O16"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Eu2W4O16Li2Eu2W4O16Li2Eu2W4O16Li2Eu2W4O16Li2Eu2W4O16Li2Eu2W4O16Li2Eu2W4O16Li2Eu2W4O16
_chemical_formula_sum "Li16 Eu16 W32 O128"
_cell_length_a 11.860194
_cell_length_b 10.300244
_cell_length_c 22.1773356
_cell_angle_alpha 67.2737790699... |
SuperCellAction | 95fb53df-8724-4ef8-90de-03a1e61e7707 | mp-765221 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Mn12O2F22
_chemical_formula_sum "Mn12 O2 F22"
_cell_length_a 16.214164
_cell_length_b 4.964197
_cell_length_c 5.88786578
_cell_angle_alpha 89.10596181
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn12O2F22Mn12O2F22Mn12O2F22Mn12O2F22Mn12O2F22Mn12O2F22
_chemical_formula_sum "Mn72 O12 F132"
_cell_length_a 32.428328
_cell_length_b 14.892591000000001
_cell_length_c 5.88786578
_cell_angle_alpha 89.10596181
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 0b762219-a4c2-48c9-aebf-a8b109d28724 | mp-27757 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Be8B2
_chemical_formula_sum "Be8 B2"
_cell_length_a 3.35699684
_cell_length_b 3.35699684
_cell_length_c 7.00653647
_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 Be8B2Be8B2Be8B2Be8B2
_chemical_formula_sum "Be32 B8"
_cell_length_a 3.35699684
_cell_length_b 6.71399368
_cell_length_c 14.01307294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SuperCellAction | f4520b7a-84bb-414c-8717-6aeba8ffb681 | mp-1379435 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... | data_image0
_chemical_formula_structural Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10
_chemical_formula_sum "Li40 Ni40 O80"
_cell_length_a 10.088088
_cell_length_b 10.1244614
_cell_length_c 15.10139678
_cell_angle_alpha 107.22642697
_cell_angle_beta ... |
SuperCellAction | e988ab18-6352-4bb8-bb43-84aaf32f42d9 | mp-1203991 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural K2PdS8O26
_chemical_formula_sum "K2 Pd1 S8 O26"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107.9369395... | data_image0
_chemical_formula_structural K2PdS8O26K2PdS8O26K2PdS8O26K2PdS8O26K2PdS8O26K2PdS8O26
_chemical_formula_sum "K12 Pd6 S48 O156"
_cell_length_a 15.170788
_cell_length_b 26.840891400000004
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta ... |
SuperCellAction | 9d70af2d-97aa-4ea6-a4be-bb0f10e3e89a | mp-1218159 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural SrNd2Cu2O6
_chemical_formula_sum "Sr1 Nd2 Cu2 O6"
_cell_length_a 10.24304913
_cell_length_b 10.24304913
_cell_length_c 10.243049130000001
_cell_angle_alpha 158.28571221
_cell_angle_beta 158.28571221
_cell_angle_gamma 30.898240179999... | data_image0
_chemical_formula_structural SrNd2Cu2O6SrNd2Cu2O6SrNd2Cu2O6SrNd2Cu2O6SrNd2Cu2O6SrNd2Cu2O6
_chemical_formula_sum "Sr6 Nd12 Cu12 O36"
_cell_length_a 10.24304913
_cell_length_b 20.48609826
_cell_length_c 30.729147389999998
_cell_angle_alpha 158.28571221
_cell_angle_beta ... |
SuperCellAction | 2089aa60-b691-4c81-9352-98c69c212a3f | mp-1049246 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural La2Zn2Cr2W2O12
_chemical_formula_sum "La2 Zn2 Cr2 W2 O12"
_cell_length_a 5.44903963
_cell_length_b 5.697279
_cell_length_c 7.88062482
_cell_angle_alpha 90.0
_cell_angle_beta 89.14472273999999
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural La2Zn2Cr2W2O12La2Zn2Cr2W2O12La2Zn2Cr2W2O12La2Zn2Cr2W2O12
_chemical_formula_sum "La8 Zn8 Cr8 W8 O48"
_cell_length_a 5.44903963
_cell_length_b 5.697279
_cell_length_c 31.52249928
_cell_angle_alpha 90.0
_cell_angle_beta 89.14472273999999
... |
SuperCellAction | d43d08c4-7688-49c1-87c1-36abd5089b9e | mp-1110620 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6Na2TlCoF6Na2TlCoF6Na2TlCoF6Na2TlCoF6Na2TlCoF6
_chemical_formula_sum "Na12 Tl6 Co6 F36"
_cell_length_a 18.586353000000003
_cell_length_b 12.39089984
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta ... |
SuperCellAction | a7e663c7-5e30-4924-81a2-f0b7743c87c5 | mp-1112377 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural K2TaCuCl6
_chemical_formula_sum "K2 Ta1 Cu1 Cl6"
_cell_length_a 7.09717241
_cell_length_b 7.09717268
_cell_length_c 7.09717266
_cell_angle_alpha 59.99999906
_cell_angle_beta 59.99999863
_cell_angle_gamma 59.999998670000004
_space_g... | data_image0
_chemical_formula_structural K2TaCuCl6K2TaCuCl6K2TaCuCl6K2TaCuCl6K2TaCuCl6K2TaCuCl6K2TaCuCl6K2TaCuCl6
_chemical_formula_sum "K16 Ta8 Cu8 Cl48"
_cell_length_a 14.19434482
_cell_length_b 28.38869072
_cell_length_c 7.09717266
_cell_angle_alpha 59.99999906
_cell_angle_bet... |
SuperCellAction | f554b067-08b2-43ad-85bf-db892f7f1fbc | mp-27148 | Create a supercell with the size 4×1×1. | 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 Be8P16Be8P16Be8P16Be8P16
_chemical_formula_sum "Be32 P64"
_cell_length_a 28.38238996
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.9927008... |
SuperCellAction | 60d1f5f6-420c-4d20-9ced-cbd43563fead | mp-1336779 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20Fe10S40Lu20Fe10S40Lu20Fe10S40Lu20Fe10S40Lu20Fe10S40Lu20Fe10S40
_chemical_formula_sum "Lu120 Fe60 S240"
_cell_length_a 15.121192
_cell_length_b 23.04632994
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angl... |
SuperCellAction | 6fe07b30-c7c6-44bf-ae9c-dd58b8b15558 | mp-30385 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ho8Au4Ho8Au4Ho8Au4
_chemical_formula_sum "Ho24 Au12"
_cell_length_a 4.92128578
_cell_length_b 21.15316839
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_al... |
SuperCellAction | ac27dc18-0091-4469-b658-dc4f8e9875ca | mp-849990 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Li4Mn8B8O24
_chemical_formula_sum "Li4 Mn8 B8 O24"
_cell_length_a 5.304354
_cell_length_b 9.14812549
_cell_length_c 11.542364970000001
_cell_angle_alpha 112.63512446000001
_cell_angle_beta 101.95435242999999
_cell_angle_gamma 89.536... | data_image0
_chemical_formula_structural Li4Mn8B8O24Li4Mn8B8O24Li4Mn8B8O24Li4Mn8B8O24
_chemical_formula_sum "Li16 Mn32 B32 O96"
_cell_length_a 5.304354
_cell_length_b 36.59250196
_cell_length_c 11.542364970000001
_cell_angle_alpha 112.63512446000001
_cell_angle_beta 101.95435... |
SuperCellAction | ae52fb48-44c2-4bef-b670-09dcb6c2de4f | mp-3536 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural Mg2Al4O8Mg2Al4O8Mg2Al4O8Mg2Al4O8
_chemical_formula_sum "Mg8 Al16 O32"
_cell_length_a 5.7136991
_cell_length_b 22.8547948
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gam... |
SuperCellAction | 70b37f6a-f064-4958-806e-3bdb5a0229f7 | mp-2232687 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural MgV4SnO12
_chemical_formula_sum "Mg1 V4 Sn1 O12"
_cell_length_a 7.02387619
_cell_length_b 7.02387624
_cell_length_c 5.79328966
_cell_angle_alpha 73.67689791
_cell_angle_beta 106.32311029
_cell_angle_gamma 100.78707567000001
_space_... | data_image0
_chemical_formula_structural MgV4SnO12MgV4SnO12MgV4SnO12MgV4SnO12MgV4SnO12MgV4SnO12MgV4SnO12MgV4SnO12
_chemical_formula_sum "Mg8 V32 Sn8 O96"
_cell_length_a 14.04775238
_cell_length_b 7.02387624
_cell_length_c 23.17315864
_cell_angle_alpha 73.67689791
_cell_angle_beta... |
SuperCellAction | 029ba9b6-1756-4e3c-b99e-d1dbf46bd0b5 | mp-606949 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural C12
_chemical_formula_sum "C12"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural C96
_chemical_formula_sum "C96"
_cell_length_a 4.91250028
_cell_length_b 4.912499559999999
_cell_length_c 58.9837574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt "P ... |
SuperCellAction | 2035c7c4-7e44-46db-8b99-3839908baf73 | mp-1207705 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_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 Tm4Rh4O12Tm4Rh4O12Tm4Rh4O12Tm4Rh4O12
_chemical_formula_sum "Tm16 Rh16 O48"
_cell_length_a 10.34889304
_cell_length_b 5.70187168
_cell_length_c 15.02318192
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 6eae4c1a-77ba-4eb3-833a-a366fda9cb40 | mp-1210531 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Pr14Br6O36
_chemical_formula_sum "Pr14 Br6 O36"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Pr14Br6O36Pr14Br6O36Pr14Br6O36Pr14Br6O36Pr14Br6O36Pr14Br6O36
_chemical_formula_sum "Pr84 Br36 O216"
_cell_length_a 47.73749529
_cell_length_b 15.91249843
_cell_length_c 8.757494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 0f8e33e7-2d50-4090-bd5b-d906996f6122 | mp-627601 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Ag4Sb4S8
_chemical_formula_sum "Ag4 Sb4 S8"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_name_H... | data_image0
_chemical_formula_structural Ag4Sb4S8Ag4Sb4S8Ag4Sb4S8
_chemical_formula_sum "Ag12 Sb12 S24"
_cell_length_a 7.44579064
_cell_length_b 22.33737192
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.798405049... |
SuperCellAction | 2c87d9d8-6b8f-43a8-b4f7-f1909e06f3d7 | mp-1111944 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural K2InAuF6
_chemical_formula_sum "K2 In1 Au1 F6"
_cell_length_a 6.44079808
_cell_length_b 6.440798080000001
_cell_length_c 6.4407980799999995
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... | data_image0
_chemical_formula_structural K2InAuF6K2InAuF6K2InAuF6K2InAuF6
_chemical_formula_sum "K8 In4 Au4 F24"
_cell_length_a 25.76319232
_cell_length_b 6.440798080000001
_cell_length_c 6.4407980799999995
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999... |
SuperCellAction | a0c56195-bf3d-42ce-a3eb-75f37b3334bb | mp-530 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Nd8Sb6
_chemical_formula_sum "Nd8 Sb6"
_cell_length_a 8.24091983
_cell_length_b 8.24091861
_cell_length_c 8.24091918
_cell_angle_alpha 109.47121951
_cell_angle_beta 109.47121647
_cell_angle_gamma 109.47122773
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nd8Sb6Nd8Sb6Nd8Sb6Nd8Sb6Nd8Sb6Nd8Sb6
_chemical_formula_sum "Nd48 Sb36"
_cell_length_a 8.24091983
_cell_length_b 16.48183722
_cell_length_c 24.72275754
_cell_angle_alpha 109.47121951
_cell_angle_beta 109.47121647
_cell_angle_gamma 10... |
SuperCellAction | 44701848-ae93-4a08-bc11-7117b7662e32 | mp-1208318 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Tb4Si4Pt8
_chemical_formula_sum "Tb4 Si4 Pt8"
_cell_length_a 5.53302783
_cell_length_b 6.91622294
_cell_length_c 7.32087111
_cell_angle_alpha 89.99976744
_cell_angle_beta 89.9994296
_cell_angle_gamma 89.9999684
_space_group_name_H-... | data_image0
_chemical_formula_structural Tb4Si4Pt8Tb4Si4Pt8Tb4Si4Pt8Tb4Si4Pt8
_chemical_formula_sum "Tb16 Si16 Pt32"
_cell_length_a 11.06605566
_cell_length_b 6.91622294
_cell_length_c 14.64174222
_cell_angle_alpha 89.99976744
_cell_angle_beta 89.9994296
_cell_angle_gamma ... |
SuperCellAction | a2fb142d-42e0-46b7-a4f4-632693145764 | mp-10834 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8
_chemical_formula_sum "Rb2 Nd4 Cu2 S8"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8Rb2Nd4Cu2S8Rb2Nd4Cu2S8
_chemical_formula_sum "Rb6 Nd12 Cu6 S24"
_cell_length_a 22.04322783
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
... |
SuperCellAction | ea76290b-a29b-431e-ad76-2aecf2b6c178 | mp-540267 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14Cr2P4O14Cr2P4O14Cr2P4O14Cr2P4O14Cr2P4O14
_chemical_formula_sum "Cr12 P24 O84"
_cell_length_a 12.671752
_cell_length_b 6.415262979999999
_cell_length_c 20.715062610000004
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.743987... |
SuperCellAction | 43c33d87-a1f5-4fd5-994d-258c0068a045 | mp-757177 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Li12Cu2S8
_chemical_formula_sum "Li12 Cu2 S8"
_cell_length_a 7.990974
_cell_length_b 7.990974
_cell_length_c 5.678244
_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 Li12Cu2S8Li12Cu2S8Li12Cu2S8Li12Cu2S8Li12Cu2S8Li12Cu2S8Li12Cu2S8Li12Cu2S8
_chemical_formula_sum "Li96 Cu16 S64"
_cell_length_a 15.981948
_cell_length_b 15.981948
_cell_length_c 11.356488
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | 4484ec3e-dd30-421a-99ac-919f987b1aa5 | mp-1194136 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Ti6Ga16Co7
_chemical_formula_sum "Ti6 Ga16 Co7"
_cell_length_a 8.35454299
_cell_length_b 8.35454299
_cell_length_c 8.35454299
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ti6Ga16Co7Ti6Ga16Co7
_chemical_formula_sum "Ti12 Ga32 Co14"
_cell_length_a 8.35454299
_cell_length_b 8.35454299
_cell_length_c 16.70908598
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... |
SuperCellAction | b21dccb1-db8c-46bd-85e4-433fd74ee2dd | mp-1042875 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Mn4As8O28
_chemical_formula_sum "Mn4 As8 O28"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn4As8O28Mn4As8O28
_chemical_formula_sum "Mn8 As16 O56"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 19.26142522
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | 948041f3-e70c-4077-b910-1ae12613c8c7 | mp-20268 | Create a supercell with the size 3×2×1. | 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 11.53413114
_cell_length_b 12.8044962
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999... |
SuperCellAction | 1b0dd5e4-71a7-42b9-8cf3-6f7f37c7d21e | mp-1175472 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.929473
_cell_length_b 10.104921899999999
_cell_length_c 10.657468350000002
_cell_angle_alpha 113.67183449
_cell_angle_beta 96.31317624
_cell_angle_gamma 91.00675862
_sp... | data_image0
_chemical_formula_structural Li9Co7O16Li9Co7O16Li9Co7O16Li9Co7O16
_chemical_formula_sum "Li36 Co28 O64"
_cell_length_a 11.717892
_cell_length_b 10.104921899999999
_cell_length_c 10.657468350000002
_cell_angle_alpha 113.67183449
_cell_angle_beta 96.31317624
_cell_a... |
SuperCellAction | 662c22c3-2491-4a0a-8ce7-31bc18f1eb9c | mp-756744 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18
_chemical_formula_sum "Li36 Co36 B36 O108"
_cell_length_a 9.26775924
_cell_length_b 8.152493599999998
_cell_length_c 28.281483620000003
_cell_angle_alpha 89.99996666
_cell_... |
SuperCellAction | 34a75357-3c35-4e44-b9ee-23d21f6147e9 | mp-694554 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O28Mn6P8O28Mn6P8O28Mn6P8O28Mn6P8O28Mn6P8O28Mn6P8O28Mn6P8O28
_chemical_formula_sum "Mn48 P64 O224"
_cell_length_a 16.14235516
_cell_length_b 28.3378326
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta ... |
SuperCellAction | 0bf70ea1-3f43-423f-9ccb-70029a66445a | mp-555962 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Li4Mo4As4O24
_chemical_formula_sum "Li4 Mo4 As4 O24"
_cell_length_a 8.706939
_cell_length_b 5.233513
_cell_length_c 10.498664750000001
_cell_angle_alpha 84.81432494
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Mo4As4O24Li4Mo4As4O24Li4Mo4As4O24Li4Mo4As4O24Li4Mo4As4O24Li4Mo4As4O24Li4Mo4As4O24Li4Mo4As4O24
_chemical_formula_sum "Li32 Mo32 As32 O192"
_cell_length_a 17.413878
_cell_length_b 20.934052
_cell_length_c 10.498664750000001
_cell_angle_alpha... |
SuperCellAction | 5e2d0131-32a9-4c5c-9fdf-a9662f37f1cc | mp-1308402 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Li4Fe6Te2O16
_chemical_formula_sum "Li4 Fe6 Te2 O16"
_cell_length_a 6.06333119
_cell_length_b 6.1395649400000005
_cell_length_c 10.50708889
_cell_angle_alpha 106.15201001
_cell_angle_beta 89.82988352000001
_cell_angle_gamma 61.09403... | data_image0
_chemical_formula_structural Li4Fe6Te2O16Li4Fe6Te2O16Li4Fe6Te2O16Li4Fe6Te2O16
_chemical_formula_sum "Li16 Fe24 Te8 O64"
_cell_length_a 6.06333119
_cell_length_b 24.558259760000002
_cell_length_c 10.50708889
_cell_angle_alpha 106.15201001
_cell_angle_beta 89.829883... |
SuperCellAction | 9745df3b-0a11-4bd7-918c-56fd2950888a | mp-1176443 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Mn4Fe4B4O16
_chemical_formula_sum "Mn4 Fe4 B4 O16"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_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 Mn4Fe4B4O16Mn4Fe4B4O16Mn4Fe4B4O16Mn4Fe4B4O16
_chemical_formula_sum "Mn16 Fe16 B16 O64"
_cell_length_a 6.413268
_cell_length_b 19.164962
_cell_length_c 9.674115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | 96561ca3-24db-43c9-9c93-1661ff921172 | mp-637866 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Sc9Ni5Ge8
_chemical_formula_sum "Sc9 Ni5 Ge8"
_cell_length_a 11.59931793
_cell_length_b 11.59931793
_cell_length_c 11.59931793
_cell_angle_alpha 160.52948716
_cell_angle_beta 133.95113753999996
_cell_angle_gamma 50.442088160000004
... | data_image0
_chemical_formula_structural Sc9Ni5Ge8Sc9Ni5Ge8Sc9Ni5Ge8Sc9Ni5Ge8Sc9Ni5Ge8Sc9Ni5Ge8
_chemical_formula_sum "Sc54 Ni30 Ge48"
_cell_length_a 34.79795379
_cell_length_b 23.19863586
_cell_length_c 11.59931793
_cell_angle_alpha 160.52948716
_cell_angle_beta 133.95113754... |
SuperCellAction | 360cb4da-6bf1-4330-a54d-a3c8d5c58f19 | mp-30447 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18Sr18Cd8Bi18Sr18Cd8Bi18Sr18Cd8Bi18
_chemical_formula_sum "Sr72 Cd32 Bi72"
_cell_length_a 9.85703258
_cell_length_b 26.7501808
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_... |
SuperCellAction | ccb4c1c8-2a6e-4068-99a1-46c31d0f4596 | mp-608595 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Na4Br4O12
_chemical_formula_sum "Na4 Br4 O12"
_cell_length_a 7.53683031
_cell_length_b 7.7492853
_cell_length_c 7.387425299999999
_cell_angle_alpha 89.94961561
_cell_angle_beta 89.69588643
_cell_angle_gamma 89.80975002000001
_space... | data_image0
_chemical_formula_structural Na4Br4O12Na4Br4O12Na4Br4O12Na4Br4O12
_chemical_formula_sum "Na16 Br16 O48"
_cell_length_a 15.07366062
_cell_length_b 7.7492853
_cell_length_c 14.774850599999999
_cell_angle_alpha 89.94961561
_cell_angle_beta 89.69588643
_cell_angle_gam... |
SuperCellAction | 8b836197-8248-4738-8053-6e69a0a9add2 | mp-27897 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Ba4N8O16
_chemical_formula_sum "Ba4 N8 O16"
_cell_length_a 6.898551
_cell_length_b 7.830487
_cell_length_c 8.466593
_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 Ba4N8O16Ba4N8O16Ba4N8O16Ba4N8O16Ba4N8O16Ba4N8O16Ba4N8O16Ba4N8O16
_chemical_formula_sum "Ba32 N64 O128"
_cell_length_a 13.797102
_cell_length_b 7.830487
_cell_length_c 33.866372
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | a64dcea7-f3a2-4e07-aa44-1de78532149a | mp-1029743 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 Ba16Ge16N32Ba16Ge16N32Ba16Ge16N32Ba16Ge16N32
_chemical_formula_sum "Ba64 Ge64 N128"
_cell_length_a 11.186168
_cell_length_b 22.446848
_cell_length_c 16.662798
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | 2f0a861f-d0b9-4a2f-bf1b-152c6dda0ccb | mp-831268 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Mn2H24S4N4O20
_chemical_formula_sum "Mn2 H24 S4 N4 O20"
_cell_length_a 5.441139
_cell_length_b 6.252487
_cell_length_c 15.522820110000001
_cell_angle_alpha 87.56291691
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Mn2H24S4N4O20Mn2H24S4N4O20Mn2H24S4N4O20
_chemical_formula_sum "Mn6 H72 S12 N12 O60"
_cell_length_a 5.441139
_cell_length_b 18.757461
_cell_length_c 15.522820110000001
_cell_angle_alpha 87.56291691
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 2a4f815d-4abd-486a-bf20-e870368e148b | mp-24473 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16
_chemical_formula_sum "Be12 P12 H48 N12 O48"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 26.12971614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | e3a1ff22-6b26-4545-a584-a5f755eef711 | mp-1078810 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4
_chemical_formula_sum "Sc24 Sn12 Au24"
_cell_length_a 15.17331334
_cell_length_b 22.75997001
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 3a7f0688-3cdc-4cea-817e-4a1e45861150 | mp-1033833 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg6O7CsRbMg6O7CsRbMg6O7
_chemical_formula_sum "Cs3 Rb3 Mg18 O21"
_cell_length_a 8.01571157
_cell_length_b 15.346606229999999
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma ... |
SuperCellAction | c4db71f6-5a76-4ce6-8303-ad45251d22bb | mp-9901 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Sc6Co4Si6
_chemical_formula_sum "Sc6 Co4 Si6"
_cell_length_a 5.34130515
_cell_length_b 5.34130515
_cell_length_c 12.802442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87448708
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sc6Co4Si6Sc6Co4Si6Sc6Co4Si6Sc6Co4Si6Sc6Co4Si6Sc6Co4Si6
_chemical_formula_sum "Sc36 Co24 Si36"
_cell_length_a 5.34130515
_cell_length_b 10.6826103
_cell_length_c 38.407326
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 93182954-12db-49ac-baa0-700b620ca79c | mp-630927 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6Pb4SeBr6Pb4SeBr6Pb4SeBr6
_chemical_formula_sum "Pb16 Se4 Br24"
_cell_length_a 19.30707642
_cell_length_b 19.30707642
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.... |
SuperCellAction | 9db246b6-9e99-4956-814a-1ed27fbf4951 | mp-1213780 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Cr21Fe2C6
_chemical_formula_sum "Cr21 Fe2 C6"
_cell_length_a 7.46313307
_cell_length_b 7.46313307
_cell_length_c 7.46313307
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Cr21Fe2C6Cr21Fe2C6Cr21Fe2C6Cr21Fe2C6
_chemical_formula_sum "Cr84 Fe8 C24"
_cell_length_a 7.46313307
_cell_length_b 29.85253228
_cell_length_c 7.46313307
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle... |
SuperCellAction | 4d0a3b5f-c957-4880-9c64-adc46351d1bd | mp-2223637 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... | data_image0
_chemical_formula_structural MgFeCo2O6MgFeCo2O6
_chemical_formula_sum "Mg2 Fe2 Co4 O12"
_cell_length_a 13.46798898
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_spa... |
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