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 | 2f8a622e-5207-4a58-9778-79b049192d3c | mp-1246014 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Mg6In4N8
_chemical_formula_sum "Mg6 In4 N8"
_cell_length_a 6.5109743
_cell_length_b 8.86459398
_cell_length_c 5.63378613
_cell_angle_alpha 90.00000371
_cell_angle_beta 91.85940546
_cell_angle_gamma 132.90168955000001
_space_group_n... | data_image0
_chemical_formula_structural Mg6In4N8Mg6In4N8Mg6In4N8Mg6In4N8Mg6In4N8Mg6In4N8
_chemical_formula_sum "Mg36 In24 N48"
_cell_length_a 19.5329229
_cell_length_b 17.72918796
_cell_length_c 5.63378613
_cell_angle_alpha 90.00000371
_cell_angle_beta 91.85940546
_cell_angl... |
SuperCellAction | 0a1a7158-d326-4f85-9103-bf1cce602e07 | mp-1190081 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Ce4SiRh12
_chemical_formula_sum "Ce4 Si1 Rh12"
_cell_length_a 7.14632626
_cell_length_b 7.14632626
_cell_length_c 7.1463262599999995
_cell_angle_alpha 109.47133709
_cell_angle_beta 109.47133709
_cell_angle_gamma 109.47133709
_space... | data_image0
_chemical_formula_structural Ce4SiRh12Ce4SiRh12Ce4SiRh12Ce4SiRh12
_chemical_formula_sum "Ce16 Si4 Rh48"
_cell_length_a 28.58530504
_cell_length_b 7.14632626
_cell_length_c 7.1463262599999995
_cell_angle_alpha 109.47133709
_cell_angle_beta 109.47133709
_cell_angle_... |
SuperCellAction | 4f8f1fe5-1121-4e9e-97ac-d8e1369122cf | mp-800259 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8Li5Cr3FeO8
_chemical_formula_sum "Li10 Cr6 Fe2 O16"
_cell_length_a 11.98851
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8... |
SuperCellAction | 53e3496a-540e-4abe-8bd7-951dacf643d4 | mp-1176748 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural LiCu3Si2O6
_chemical_formula_sum "Li1 Cu3 Si2 O6"
_cell_length_a 4.8388987
_cell_length_b 4.8388987
_cell_length_c 5.90468181
_cell_angle_alpha 82.15013831999998
_cell_angle_beta 82.15013831999998
_cell_angle_gamma 119.94564055
_sp... | data_image0
_chemical_formula_structural LiCu3Si2O6LiCu3Si2O6LiCu3Si2O6LiCu3Si2O6LiCu3Si2O6LiCu3Si2O6
_chemical_formula_sum "Li6 Cu18 Si12 O36"
_cell_length_a 4.8388987
_cell_length_b 14.516696099999999
_cell_length_c 11.80936362
_cell_angle_alpha 82.15013831999998
_cell_angle_be... |
SuperCellAction | decf0b2d-3c7f-4412-a292-c7d0b8927687 | mp-1203991 | Create a supercell with the size 1 by 2 by 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 K2PdS8O26K2PdS8O26
_chemical_formula_sum "K4 Pd2 S16 O52"
_cell_length_a 7.585394
_cell_length_b 17.893927600000005
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma ... |
SuperCellAction | 1242e013-4dfd-4c5d-95e0-3df91a279bbd | mp-1204031 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Zn6Se6O20
_chemical_formula_sum "Zn6 Se6 O20"
_cell_length_a 8.200582
_cell_length_b 8.33735723
_cell_length_c 8.80680441
_cell_angle_alpha 64.46594991999999
_cell_angle_beta 68.49848698
_cell_angle_gamma 68.82866477
_space_group_n... | data_image0
_chemical_formula_structural Zn6Se6O20Zn6Se6O20Zn6Se6O20Zn6Se6O20
_chemical_formula_sum "Zn24 Se24 O80"
_cell_length_a 16.401164
_cell_length_b 8.33735723
_cell_length_c 17.61360882
_cell_angle_alpha 64.46594991999999
_cell_angle_beta 68.49848698
_cell_angle_gamma... |
SuperCellAction | 2cf851aa-3a94-42cf-a9fa-cd897d8dd6f6 | mp-35143 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6
_chemical_formula_sum "Ba16 Nb16 S48"
_cell_length_a 13.90531218
_cell_length_b 13.90531036
_cell_length_c 11.47165402
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | e1fd55c9-1de9-43f8-a8bc-629405949c98 | mp-1047596 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 Zn4Bi8O16Zn4Bi8O16Zn4Bi8O16
_chemical_formula_sum "Zn12 Bi24 O48"
_cell_length_a 10.201983
_cell_length_b 10.694829
_cell_length_c 11.478749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SuperCellAction | 8d02ff2f-e41e-4ec2-806d-8a61918af1f4 | mp-1522623 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural BaCaNi4O12
_chemical_formula_sum "Ba1 Ca1 Ni4 O12"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_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 BaCaNi4O12BaCaNi4O12BaCaNi4O12BaCaNi4O12BaCaNi4O12BaCaNi4O12
_chemical_formula_sum "Ba6 Ca6 Ni24 O72"
_cell_length_a 16.593289050000003
_cell_length_b 11.0621927
_cell_length_c 7.7504093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | cb88922d-c244-4a68-9e45-c3c027118d85 | mp-557667 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... | data_image0
_chemical_formula_structural Ge9Pb15O33Ge9Pb15O33Ge9Pb15O33
_chemical_formula_sum "Ge27 Pb45 O99"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 32.591364
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999990900... |
SuperCellAction | cb4b549d-9a39-4e62-937b-a395e78ddf19 | mp-1032803 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_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 Mg6MnZnO8Mg6MnZnO8Mg6MnZnO8Mg6MnZnO8
_chemical_formula_sum "Mg24 Mn4 Zn4 O32"
_cell_length_a 8.60024287
_cell_length_b 17.2400006
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 2fd2b0cc-2d4a-4d48-aeb9-c7e891645bab | mp-1211316 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural K2V4Ag2O12
_chemical_formula_sum "K2 V4 Ag2 O12"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group_na... | data_image0
_chemical_formula_structural K2V4Ag2O12K2V4Ag2O12
_chemical_formula_sum "K4 V8 Ag4 O24"
_cell_length_a 7.44997499
_cell_length_b 14.89994998
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_spa... |
SuperCellAction | 17d281c5-5adf-4fce-9b48-916493ec47fa | mp-1247150 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Li4Mn24N28
_chemical_formula_sum "Li4 Mn24 N28"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn24N28Li4Mn24N28Li4Mn24N28Li4Mn24N28
_chemical_formula_sum "Li16 Mn96 N112"
_cell_length_a 26.00466776
_cell_length_b 5.65481
_cell_length_c 15.90767622
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
... |
SuperCellAction | da4d8062-62fc-417e-87ea-8c8c7194236d | mp-1103827 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cu2N4F8Cu2N4F8Cu2N4F8Cu2N4F8Cu2N4F8Cu2N4F8Cu2N4F8Cu2N4F8
_chemical_formula_sum "Cu16 N32 F64"
_cell_length_a 13.70080926
_cell_length_b 6.85040463
_cell_length_c 22.9227
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 571065e1-95a6-4719-b1b1-87fedb3739a6 | mp-1048365 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... | data_image0
_chemical_formula_structural Y2Cu3O6Y2Cu3O6Y2Cu3O6Y2Cu3O6Y2Cu3O6Y2Cu3O6Y2Cu3O6Y2Cu3O6
_chemical_formula_sum "Y16 Cu24 O48"
_cell_length_a 74.1111474
_cell_length_b 6.30067658
_cell_length_c 12.60135372
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.965511... |
SuperCellAction | 4cb01ccd-b3be-4671-890d-fc6d58fed76c | mp-1188402 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Cu3Mo2H2O10
_chemical_formula_sum "Cu3 Mo2 H2 O10"
_cell_length_a 5.86853367
_cell_length_b 5.736943139999999
_cell_length_c 7.85002799
_cell_angle_alpha 103.47643980999999
_cell_angle_beta 111.61979821
_cell_angle_gamma 94.00059654... | data_image0
_chemical_formula_structural Cu3Mo2H2O10Cu3Mo2H2O10
_chemical_formula_sum "Cu6 Mo4 H4 O20"
_cell_length_a 5.86853367
_cell_length_b 5.736943139999999
_cell_length_c 15.70005598
_cell_angle_alpha 103.47643980999999
_cell_angle_beta 111.61979821
_cell_angle_gamma ... |
SuperCellAction | f7061656-7729-491a-ac72-f9569b5a81bb | mp-1212423 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Ho12In3Fe2
_chemical_formula_sum "Ho12 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_... | data_image0
_chemical_formula_structural Ho12In3Fe2Ho12In3Fe2Ho12In3Fe2
_chemical_formula_sum "Ho36 In9 Fe6"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 25.263358020000002
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma ... |
SuperCellAction | 5aa8ab71-6a37-4305-9cd3-d1d9a6fe3c73 | mp-1644899 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24
_chemical_formula_sum "Li48 V32 C64 O192"
_cell_length_a 15.32074944
_cell_length_b 30.63217936
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_... |
SuperCellAction | c02b5cfb-0afa-47bf-8c58-0ddd7a544aab | mp-1188929 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12
_chemical_formula_sum "Ti16 Nb48 S96"
_cell_length_a 11.62560796
_cell_length_b 23.25064
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_be... |
SuperCellAction | 9f070035-019a-4b25-a79c-b12ebb5dd846 | mp-752456 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Fe4O2F6
_chemical_formula_sum "Fe4 O2 F6"
_cell_length_a 3.105808
_cell_length_b 4.851217
_cell_length_c 9.688965
_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_I... | data_image0
_chemical_formula_structural Fe4O2F6Fe4O2F6Fe4O2F6Fe4O2F6Fe4O2F6Fe4O2F6Fe4O2F6Fe4O2F6
_chemical_formula_sum "Fe32 O16 F48"
_cell_length_a 6.211616
_cell_length_b 19.404868
_cell_length_c 9.688965
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 4f0d1d38-027e-4cd6-b122-d9fcb30c520c | mp-573815 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Re6I18
_chemical_formula_sum "Re6 I18"
_cell_length_a 9.08663881
_cell_length_b 9.82904721
_cell_length_c 11.38253715
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.68012977
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Re6I18Re6I18Re6I18
_chemical_formula_sum "Re18 I54"
_cell_length_a 9.08663881
_cell_length_b 9.82904721
_cell_length_c 34.14761145
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.68012977
_space_group_name_H-M_al... |
SuperCellAction | e05f2a56-704d-440b-a4cc-6cf5ba6d3a27 | mp-568136 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br18Rb6V6Br18Rb6V6Br18Rb6V6Br18Rb6V6Br18Rb6V6Br18
_chemical_formula_sum "Rb36 V36 Br108"
_cell_length_a 38.676013440000006
_cell_length_b 25.783908359999998
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta ... |
SuperCellAction | b240ecae-6cff-437d-9217-e64fb34c2d93 | mp-1217691 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... | data_image0
_chemical_formula_structural Tb3DyAl8Tb3DyAl8Tb3DyAl8Tb3DyAl8Tb3DyAl8Tb3DyAl8
_chemical_formula_sum "Tb18 Dy6 Al48"
_cell_length_a 9.61162833
_cell_length_b 19.22325666
_cell_length_c 28.834885019999998
_cell_angle_alpha 33.54500062000002
_cell_angle_beta 33.54500... |
SuperCellAction | 98d818d8-8fd3-4047-b5af-c5377126ac40 | mp-1226415 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... | data_image0
_chemical_formula_structural Co4Mo4O19Co4Mo4O19Co4Mo4O19Co4Mo4O19Co4Mo4O19Co4Mo4O19Co4Mo4O19Co4Mo4O19
_chemical_formula_sum "Co32 Mo32 O152"
_cell_length_a 13.74445
_cell_length_b 13.88846796
_cell_length_c 18.85548258
_cell_angle_alpha 76.97480465
_cell_angle_beta ... |
SuperCellAction | ae98e4f5-343a-487c-9ad3-e2275ceb2a24 | mp-1336298 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32Al8Hg20Se32Al8Hg20Se32Al8Hg20Se32Al8Hg20Se32Al8Hg20Se32Al8Hg20Se32Al8Hg20Se32
_chemical_formula_sum "Al64 Hg160 Se256"
_cell_length_a 16.809034
_cell_length_b 16.88670242
_cell_length_c 55.8441084
_cell_angle_alpha 97.16799001
_... |
SuperCellAction | cbaf222a-0816-40aa-8e61-9815ce06d19a | mp-759254 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48
_chemical_formula_sum "Li12 Bi48 P84 O288"
_cell_length_a 11.00550326
_cell_length_b 33.41041398
_cell_length_c 23.24793676
_cell_angle_alpha 112.28091033
_cell_angle... |
SuperCellAction | ffc2e08c-2a03-40fe-ab24-6081285f21aa | mp-1643079 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 4.606584
_cell_length_b 5.690833
_cell_length_c 8.710385
_cell_angle_alpha 90.00049817
_cell_angle_beta 89.99997441
_cell_angle_gamma 89.99995499
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li8Mn4O8F4Li8Mn4O8F4
_chemical_formula_sum "Li16 Mn8 O16 F8"
_cell_length_a 4.606584
_cell_length_b 5.690833
_cell_length_c 17.42077
_cell_angle_alpha 90.00049817
_cell_angle_beta 89.99997441
_cell_angle_gamma 89.99995499
_space_gr... |
SuperCellAction | 1b93fb8f-1ec1-4ce2-8c16-5ffa6c8d02e8 | mp-779298 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... | data_image0
_chemical_formula_structural Mn8O13F3Mn8O13F3Mn8O13F3Mn8O13F3Mn8O13F3Mn8O13F3
_chemical_formula_sum "Mn48 O78 F18"
_cell_length_a 8.991222
_cell_length_b 4.97141401
_cell_length_c 33.1623045
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_c... |
SuperCellAction | dd582829-8334-465f-8ad3-2cc1b623bd58 | mp-1200095 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr4Np4P8O32Sr4Np4P8O32Sr4Np4P8O32Sr4Np4P8O32
_chemical_formula_sum "Sr16 Np16 P32 O128"
_cell_length_a 27.90889992
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.... |
SuperCellAction | 6bc29e74-8883-4e60-809f-5df361797620 | mp-569862 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P4Se18Rb8P4Se18Rb8P4Se18Rb8P4Se18Rb8P4Se18Rb8P4Se18
_chemical_formula_sum "Rb48 P24 Se108"
_cell_length_a 14.45099906
_cell_length_b 7.2254675100000005
_cell_length_c 57.99129831
_cell_angle_alpha 87.82479973999999
_cell_angle_beta ... |
SuperCellAction | 12721af7-3b3e-44f5-8a6d-a35229902a4f | mp-1191974 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Ca2Ge2P4O16
_chemical_formula_sum "Ca2 Ge2 P4 O16"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_group_... | data_image0
_chemical_formula_structural Ca2Ge2P4O16Ca2Ge2P4O16Ca2Ge2P4O16Ca2Ge2P4O16Ca2Ge2P4O16Ca2Ge2P4O16Ca2Ge2P4O16Ca2Ge2P4O16
_chemical_formula_sum "Ca16 Ge16 P32 O128"
_cell_length_a 8.37962501
_cell_length_b 16.75925002
_cell_length_c 31.36080992
_cell_angle_alpha 64.561177... |
SuperCellAction | 833c8433-c5b5-4a7e-8d2a-e737a77ed0e7 | mp-1192809 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N12O12Ag4N12O12Ag4N12O12Ag4N12O12
_chemical_formula_sum "Ag16 N48 O48"
_cell_length_a 12.058562
_cell_length_b 7.930658
_cell_length_c 20.871718
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | d9240a65-9aa6-4e05-b1fc-a8f8e55a4d1e | mp-779754 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Na10Ni4As2C8O32
_chemical_formula_sum "Na10 Ni4 As2 C8 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.8... | data_image0
_chemical_formula_structural Na10Ni4As2C8O32Na10Ni4As2C8O32
_chemical_formula_sum "Na20 Ni8 As4 C16 O64"
_cell_length_a 9.95923284
_cell_length_b 19.904516180000005
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_an... |
SuperCellAction | ebe62b0c-1640-4fea-893b-6f6f010eec7c | mp-771953 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16
_chemical_formula_sum "Li32 Nb16 Ni48 O128"
_cell_length_a 5.87620765
_cell_length_b 23.5048306
_cell_length_c 19.272778
_cell_angle_alpha 90.... |
SuperCellAction | fea59cd6-fd3a-4713-a434-06434f2d18d9 | mp-1021352 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Mg12Ti2Nb2
_chemical_formula_sum "Mg12 Ti2 Nb2"
_cell_length_a 4.863481
_cell_length_b 6.094816
_cell_length_c 11.228815
_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 Mg12Ti2Nb2Mg12Ti2Nb2Mg12Ti2Nb2Mg12Ti2Nb2Mg12Ti2Nb2Mg12Ti2Nb2
_chemical_formula_sum "Mg72 Ti12 Nb12"
_cell_length_a 4.863481
_cell_length_b 12.189632
_cell_length_c 33.686445000000006
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 4ac74e8b-789f-4524-9067-704c0a79ba07 | mp-616196 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... | data_image0
_chemical_formula_structural Os2C6I4O6Os2C6I4O6Os2C6I4O6Os2C6I4O6Os2C6I4O6Os2C6I4O6
_chemical_formula_sum "Os12 C36 I24 O36"
_cell_length_a 6.82384482
_cell_length_b 20.471534459999997
_cell_length_c 19.6724673
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.916... |
SuperCellAction | c772d930-bafc-4181-8fae-b0993a21ce46 | mp-757370 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... | data_image0
_chemical_formula_structural Ti5Fe11O24Ti5Fe11O24Ti5Fe11O24Ti5Fe11O24Ti5Fe11O24Ti5Fe11O24
_chemical_formula_sum "Ti30 Fe66 O144"
_cell_length_a 11.078316
_cell_length_b 27.445501739999997
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.... |
SuperCellAction | 559ac8ab-8a90-4c1f-98f3-e5485860b4c3 | mp-1177530 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li8 Mn4 Ni6 Sn6 O32"
_cell_length_a 6.03544694
_cell_length_b 12.07089388
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 6... |
SuperCellAction | 690172ca-783b-4d8b-b48f-674b489f853d | mp-1035975 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 YMg14SnO16YMg14SnO16YMg14SnO16YMg14SnO16
_chemical_formula_sum "Y4 Mg56 Sn4 O64"
_cell_length_a 17.685026
_cell_length_b 17.685026
_cell_length_c 4.451059
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 25c6d8e9-7245-4a50-8ced-7cb65f12114c | mp-38951 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Mg2Ga4O8
_chemical_formula_sum "Mg2 Ga4 O8"
_cell_length_a 5.85014315
_cell_length_b 5.850142989999999
_cell_length_c 5.9059647
_cell_angle_alpha 59.68385123000001
_cell_angle_beta 59.68384724
_cell_angle_gamma 59.68611803999999
_s... | data_image0
_chemical_formula_structural Mg2Ga4O8Mg2Ga4O8Mg2Ga4O8Mg2Ga4O8Mg2Ga4O8Mg2Ga4O8
_chemical_formula_sum "Mg12 Ga24 O48"
_cell_length_a 17.55042945
_cell_length_b 5.850142989999999
_cell_length_c 11.8119294
_cell_angle_alpha 59.68385123000001
_cell_angle_beta 59.683847... |
SuperCellAction | 2d06e4da-d7d6-45fb-bdd7-a2c28c4bfa8c | mp-2227841 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... | data_image0
_chemical_formula_structural Tm2MgV2O8Tm2MgV2O8Tm2MgV2O8
_chemical_formula_sum "Tm6 Mg3 V6 O24"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 18.48613794
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 1... |
SuperCellAction | e826c95a-5701-4e30-9326-4187e16a7b90 | mp-1235688 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural RbLiCu2H3S2O10
_chemical_formula_sum "Rb1 Li1 Cu2 H3 S2 O10"
_cell_length_a 5.93216975
_cell_length_b 5.92723735
_cell_length_c 7.79515509
_cell_angle_alpha 74.74008437
_cell_angle_beta 82.56761922
_cell_angle_gamma 118.980709840000... | data_image0
_chemical_formula_structural RbLiCu2H3S2O10RbLiCu2H3S2O10RbLiCu2H3S2O10RbLiCu2H3S2O10
_chemical_formula_sum "Rb4 Li4 Cu8 H12 S8 O40"
_cell_length_a 5.93216975
_cell_length_b 23.7089494
_cell_length_c 7.79515509
_cell_angle_alpha 74.74008437
_cell_angle_beta 82.567... |
SuperCellAction | e09d0bad-9d58-410f-8f9e-f79e6e199e78 | mp-1219272 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4Sm4CrFe33C4Sm4CrFe33C4
_chemical_formula_sum "Sm12 Cr3 Fe99 C12"
_cell_length_a 6.50403639
_cell_length_b 19.440635760000003
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_ga... |
SuperCellAction | 369c239b-5698-4708-b144-6d46f38b68b6 | mp-22575 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sc12As8Sc12As8Sc12As8Sc12As8Sc12As8Sc12As8
_chemical_formula_sum "Sc72 As48"
_cell_length_a 7.66239336
_cell_length_b 31.309077870000003
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 8d6511bd-d60c-4fd7-81af-94a264bfd534 | mp-1026581 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaSrMg14BaSrMg14BaSrMg14BaSrMg14
_chemical_formula_sum "Ba4 Sr4 Mg56"
_cell_length_a 13.5286255
_cell_length_b 6.70564346
_cell_length_c 21.64686246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
... |
SuperCellAction | 972fec0e-758c-4340-8a4e-d6ab466a27d8 | mp-684816 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural K4Na2Nb2O4F8
_chemical_formula_sum "K4 Na2 Nb2 O4 F8"
_cell_length_a 6.078101
_cell_length_b 6.08342755
_cell_length_c 8.639495609999999
_cell_angle_alpha 89.814529
_cell_angle_beta 89.94245549000001
_cell_angle_gamma 89.97564418
_... | data_image0
_chemical_formula_structural K4Na2Nb2O4F8K4Na2Nb2O4F8K4Na2Nb2O4F8K4Na2Nb2O4F8K4Na2Nb2O4F8K4Na2Nb2O4F8
_chemical_formula_sum "K24 Na12 Nb12 O24 F48"
_cell_length_a 12.156202
_cell_length_b 6.08342755
_cell_length_c 25.91848683
_cell_angle_alpha 89.814529
_cell_angle_be... |
SuperCellAction | 73d66bb2-a2fc-4e79-bbd7-8daf8a68f44f | mp-1232221 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Pm4Se8
_chemical_formula_sum "Pm4 Se8"
_cell_length_a 4.16700646
_cell_length_b 8.38218923
_cell_length_c 8.46326189
_cell_angle_alpha 89.80386038
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Pm4Se8Pm4Se8Pm4Se8Pm4Se8Pm4Se8Pm4Se8
_chemical_formula_sum "Pm24 Se48"
_cell_length_a 8.33401292
_cell_length_b 25.146567689999998
_cell_length_c 8.46326189
_cell_angle_alpha 89.80386038
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | a3a17ab0-4720-45d5-bc3d-0ccd7fdb8dd5 | mp-1017477 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 La2Mg12W2La2Mg12W2La2Mg12W2La2Mg12W2La2Mg12W2La2Mg12W2
_chemical_formula_sum "La12 Mg72 W12"
_cell_length_a 5.020477
_cell_length_b 12.865316
_cell_length_c 34.080066
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 55458262-6731-4a0a-9fed-fd00337add6f | mp-753255 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Li8Fe5O10
_chemical_formula_sum "Li8 Fe5 O10"
_cell_length_a 5.439789
_cell_length_b 6.7722361
_cell_length_c 8.02902207
_cell_angle_alpha 90.43750103999999
_cell_angle_beta 102.80415826
_cell_angle_gamma 113.38418846
_space_group_... | data_image0
_chemical_formula_structural Li8Fe5O10Li8Fe5O10Li8Fe5O10
_chemical_formula_sum "Li24 Fe15 O30"
_cell_length_a 5.439789
_cell_length_b 20.3167083
_cell_length_c 8.02902207
_cell_angle_alpha 90.43750103999999
_cell_angle_beta 102.80415826
_cell_angle_gamma 113.38... |
SuperCellAction | cc744017-3f68-4b6c-910f-10e0972ff3d2 | mp-1048964 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Ca6Cr12O24
_chemical_formula_sum "Ca6 Cr12 O24"
_cell_length_a 6.23193746
_cell_length_b 6.23193746
_cell_length_c 15.366012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999427
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca6Cr12O24Ca6Cr12O24Ca6Cr12O24Ca6Cr12O24Ca6Cr12O24Ca6Cr12O24Ca6Cr12O24Ca6Cr12O24
_chemical_formula_sum "Ca48 Cr96 O192"
_cell_length_a 24.92774984
_cell_length_b 6.23193746
_cell_length_c 30.732024
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 654ab1fd-0186-4728-b4a7-a6603caa0bdc | mp-2229308 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Rb4MgV2Ag2S8
_chemical_formula_sum "Rb4 Mg1 V2 Ag2 S8"
_cell_length_a 5.87448564
_cell_length_b 7.112471019999999
_cell_length_c 13.97644637
_cell_angle_alpha 82.97004932999998
_cell_angle_beta 72.83283597
_cell_angle_gamma 65.57111... | data_image0
_chemical_formula_structural Rb4MgV2Ag2S8Rb4MgV2Ag2S8Rb4MgV2Ag2S8Rb4MgV2Ag2S8Rb4MgV2Ag2S8Rb4MgV2Ag2S8Rb4MgV2Ag2S8Rb4MgV2Ag2S8
_chemical_formula_sum "Rb32 Mg8 V16 Ag16 S64"
_cell_length_a 23.49794256
_cell_length_b 7.112471019999999
_cell_length_c 27.95289274
_cell_angle_... |
SuperCellAction | 38fe4102-c212-4165-83fb-e37d4893913f | mp-1029421 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Te2MoW3Se6
_chemical_formula_sum "Te2 Mo1 W3 Se6"
_cell_length_a 3.37792624
_cell_length_b 3.37792624
_cell_length_c 38.521538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000461000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2MoW3Se6Te2MoW3Se6Te2MoW3Se6Te2MoW3Se6
_chemical_formula_sum "Te8 Mo4 W12 Se24"
_cell_length_a 3.37792624
_cell_length_b 13.51170496
_cell_length_c 38.521538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000... |
SuperCellAction | 82d2465a-af27-4ca5-be39-238ee4779e4b | mp-1192830 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Cu6Mo4O20
_chemical_formula_sum "Cu6 Mo4 O20"
_cell_length_a 13.928992
_cell_length_b 5.539769
_cell_length_c 7.51960498
_cell_angle_alpha 47.58404186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cu6Mo4O20Cu6Mo4O20Cu6Mo4O20Cu6Mo4O20Cu6Mo4O20Cu6Mo4O20
_chemical_formula_sum "Cu36 Mo24 O120"
_cell_length_a 13.928992
_cell_length_b 16.619307
_cell_length_c 15.03920996
_cell_angle_alpha 47.58404185999999
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 07e63879-0116-4f0a-978a-2d693247fa48 | mp-558595 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12Ba6Ru3Cl2O12Ba6Ru3Cl2O12Ba6Ru3Cl2O12Ba6Ru3Cl2O12Ba6Ru3Cl2O12
_chemical_formula_sum "Ba36 Ru18 Cl12 O72"
_cell_length_a 11.836838
_cell_length_b 5.91841994
_cell_length_c 45.143283
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | caa548d9-21a1-40e6-9591-e7709208891e | mp-675770 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Nd3U2O10
_chemical_formula_sum "Nd3 U2 O10"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860705999... | data_image0
_chemical_formula_structural Nd3U2O10Nd3U2O10Nd3U2O10Nd3U2O10Nd3U2O10Nd3U2O10Nd3U2O10Nd3U2O10
_chemical_formula_sum "Nd24 U16 O80"
_cell_length_a 13.159207
_cell_length_b 13.159207
_cell_length_c 16.956145420000002
_cell_angle_alpha 51.801004170000006
_cell_angle_beta... |
SuperCellAction | c12b6a88-801f-45d4-914b-5a83fef12053 | mp-1041539 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Ti4Zn2O8
_chemical_formula_sum "Ti4 Zn2 O8"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_group_n... | data_image0
_chemical_formula_structural Ti4Zn2O8Ti4Zn2O8
_chemical_formula_sum "Ti8 Zn4 O16"
_cell_length_a 6.1031153
_cell_length_b 12.206230600000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_spa... |
SuperCellAction | 3eda6d78-6a9d-46a3-b9d9-fa8be9fd81b3 | mp-770874 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32
_chemical_formula_sum "Na96 Co32 P16 C64 O256"
_cell_length_a 19.73573776
_cell_length_b 9.86786888
_cell_length_c 39.47147552
_c... |
SuperCellAction | 3069562c-cbd8-456b-9953-42bffaf348b8 | mp-1252807 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Sr4Al2Ga2Co4O14
_chemical_formula_sum "Sr4 Al2 Ga2 Co4 O14"
_cell_length_a 5.43339978
_cell_length_b 5.63672228
_cell_length_c 11.76159832
_cell_angle_alpha 103.73141681999999
_cell_angle_beta 103.37081140999999
_cell_angle_gamma 90... | data_image0
_chemical_formula_structural Sr4Al2Ga2Co4O14Sr4Al2Ga2Co4O14Sr4Al2Ga2Co4O14Sr4Al2Ga2Co4O14Sr4Al2Ga2Co4O14Sr4Al2Ga2Co4O14
_chemical_formula_sum "Sr24 Al12 Ga12 Co24 O84"
_cell_length_a 16.30019934
_cell_length_b 5.63672228
_cell_length_c 23.52319664
_cell_angle_alpha 10... |
SuperCellAction | e91f0c20-ebd9-4b74-b25c-714d74fd50f1 | mp-752963 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Li4Ti3Ni3O12
_chemical_formula_sum "Li4 Ti3 Ni3 O12"
_cell_length_a 5.21179628
_cell_length_b 7.62971581
_cell_length_c 5.56986462
_cell_angle_alpha 68.58211896
_cell_angle_beta 89.97362202
_cell_angle_gamma 95.94842560000001
_spac... | data_image0
_chemical_formula_structural Li4Ti3Ni3O12Li4Ti3Ni3O12Li4Ti3Ni3O12Li4Ti3Ni3O12
_chemical_formula_sum "Li16 Ti12 Ni12 O48"
_cell_length_a 20.84718512
_cell_length_b 7.62971581
_cell_length_c 5.56986462
_cell_angle_alpha 68.58211896
_cell_angle_beta 89.97362202
_cell... |
SuperCellAction | 6fe49694-a395-4b50-8e74-8ee5b1f093bd | mp-760650 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Li6Bi2P4O16
_chemical_formula_sum "Li6 Bi2 P4 O16"
_cell_length_a 5.20425907
_cell_length_b 5.20425907
_cell_length_c 15.14421391
_cell_angle_alpha 83.44138098
_cell_angle_beta 83.44138098
_cell_angle_gamma 54.37259545
_space_group... | data_image0
_chemical_formula_structural Li6Bi2P4O16Li6Bi2P4O16Li6Bi2P4O16Li6Bi2P4O16Li6Bi2P4O16Li6Bi2P4O16Li6Bi2P4O16Li6Bi2P4O16
_chemical_formula_sum "Li48 Bi16 P32 O128"
_cell_length_a 10.40851814
_cell_length_b 20.81703628
_cell_length_c 15.14421391
_cell_angle_alpha 83.44138... |
SuperCellAction | e9edeb9e-ac37-402b-a2d1-43748615ab57 | mp-1520689 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_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 BaSrTi4O12BaSrTi4O12BaSrTi4O12BaSrTi4O12
_chemical_formula_sum "Ba4 Sr4 Ti16 O48"
_cell_length_a 5.5757866
_cell_length_b 22.3031464
_cell_length_c 7.87964887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | 67ca038a-768a-47e9-b87f-c8df4c668c78 | mp-753442 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Cr4Co4O16
_chemical_formula_sum "Cr4 Co4 O16"
_cell_length_a 4.951287
_cell_length_b 6.083637
_cell_length_c 10.46366
_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 Cr4Co4O16Cr4Co4O16
_chemical_formula_sum "Cr8 Co8 O32"
_cell_length_a 4.951287
_cell_length_b 6.083637
_cell_length_c 20.92732
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SuperCellAction | 9902f953-3c64-4535-91c8-7be082bde6f4 | mp-1218036 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... | data_image0
_chemical_formula_structural Ta8VC4S8Ta8VC4S8Ta8VC4S8Ta8VC4S8Ta8VC4S8Ta8VC4S8Ta8VC4S8Ta8VC4S8
_chemical_formula_sum "Ta64 V8 C32 S64"
_cell_length_a 9.39611043
_cell_length_b 18.79222086
_cell_length_c 37.58444264
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.... |
SuperCellAction | 01fe7543-da1a-4bd5-9ed7-e4de7ccad886 | mp-696656 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural B4H16O8F12B4H16O8F12
_chemical_formula_sum "B8 H32 O16 F24"
_cell_length_a 7.43387
_cell_length_b 11.287126
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | c2b1a34b-d3e0-4167-ada3-bc2b36f36ebb | mp-1224390 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural HfAu9
_chemical_formula_sum "Hf1 Au9"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural HfAu9HfAu9HfAu9HfAu9
_chemical_formula_sum "Hf4 Au36"
_cell_length_a 10.1205642
_cell_length_b 10.1205642
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_gro... |
SuperCellAction | d9f961b5-2243-4890-8827-afef71cd746c | mp-1036209 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_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 Mg14TiMnO16Mg14TiMnO16Mg14TiMnO16Mg14TiMnO16
_chemical_formula_sum "Mg56 Ti4 Mn4 O64"
_cell_length_a 17.217492
_cell_length_b 17.217492
_cell_length_c 4.274209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | d92dbf06-9409-4284-a74b-992dd8cd6c12 | mp-1023294 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Mg12Al2Mo2
_chemical_formula_sum "Mg12 Al2 Mo2"
_cell_length_a 4.818345
_cell_length_b 6.156911
_cell_length_c 10.642447
_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 Mg12Al2Mo2Mg12Al2Mo2Mg12Al2Mo2Mg12Al2Mo2
_chemical_formula_sum "Mg48 Al8 Mo8"
_cell_length_a 4.818345
_cell_length_b 24.627644
_cell_length_c 10.642447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | a6dec17e-d331-4cdc-82e3-29f1fdd5502f | mp-1411095 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Mg2V4O10
_chemical_formula_sum "Mg2 V4 O10"
_cell_length_a 3.430803
_cell_length_b 4.901301
_cell_length_c 11.601949
_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 Mg2V4O10Mg2V4O10Mg2V4O10Mg2V4O10Mg2V4O10Mg2V4O10Mg2V4O10Mg2V4O10
_chemical_formula_sum "Mg16 V32 O80"
_cell_length_a 13.723212
_cell_length_b 4.901301
_cell_length_c 23.203898
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 3f5d8637-f6a9-4e19-b0cb-9f7c9862aa79 | mp-1179989 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16
_chemical_formula_sum "Pd12 C48 S48 I24 N96"
_cell_length_a 16.95524926
_cell_length_b 8.47762463
_cell_length_c 34.97854442999999
_cell_angle_alpha 89.15109476999999... |
SuperCellAction | 91fa4aa0-b282-49a9-968d-22a473df7761 | mp-1106066 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural LaSb12Os4
_chemical_formula_sum "La1 Sb12 Os4"
_cell_length_a 8.11137695
_cell_length_b 8.11136872
_cell_length_c 8.11137401
_cell_angle_alpha 109.47122651999997
_cell_angle_beta 109.47125878999998
_cell_angle_gamma 109.47122363
_s... | data_image0
_chemical_formula_structural LaSb12Os4LaSb12Os4LaSb12Os4LaSb12Os4
_chemical_formula_sum "La4 Sb48 Os16"
_cell_length_a 8.11137695
_cell_length_b 32.44547488
_cell_length_c 8.11137401
_cell_angle_alpha 109.47122651999997
_cell_angle_beta 109.47125878999998
_cell_an... |
SuperCellAction | 173139fa-e221-4550-90a9-0ec1e261f69d | mp-975336 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 K4C4S4N4K4C4S4N4K4C4S4N4K4C4S4N4
_chemical_formula_sum "K16 C16 S16 N16"
_cell_length_a 25.91922
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SuperCellAction | e0c6ca8f-93e2-450a-b749-5ae55711ad92 | mp-624221 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge6Rh10Ge6Rh10Ge6Rh10Ge6Rh10
_chemical_formula_sum "Ge24 Rh40"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 41.96997028
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_... |
SuperCellAction | 3daed645-ac38-41d7-872a-5f2986f474db | mp-662499 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Rb6Mg6Cl18
_chemical_formula_sum "Rb6 Mg6 Cl18"
_cell_length_a 7.09519963
_cell_length_b 7.09519975
_cell_length_c 17.608760289999996
_cell_angle_alpha 89.99999958
_cell_angle_beta 89.99999952
_cell_angle_gamma 119.99928184000001
_... | data_image0
_chemical_formula_structural Rb6Mg6Cl18Rb6Mg6Cl18Rb6Mg6Cl18Rb6Mg6Cl18Rb6Mg6Cl18Rb6Mg6Cl18
_chemical_formula_sum "Rb36 Mg36 Cl108"
_cell_length_a 14.19039926
_cell_length_b 7.09519975
_cell_length_c 52.82628087
_cell_angle_alpha 89.99999958
_cell_angle_beta 89.9999... |
SuperCellAction | 470cb106-e83d-4c92-9b9d-6750318a5047 | mp-757606 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16Li4Ni4P4O16Li4Ni4P4O16
_chemical_formula_sum "Li12 Ni12 P12 O48"
_cell_length_a 5.49464502
_cell_length_b 18.718833240000006
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_a... |
SuperCellAction | 0ee350db-7ecb-4f26-adb4-dbb07fe7b521 | mp-1102836 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Bi4Ir4S4
_chemical_formula_sum "Bi4 Ir4 S4"
_cell_length_a 6.219056
_cell_length_b 6.219056
_cell_length_c 6.219056
_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 Bi4Ir4S4Bi4Ir4S4
_chemical_formula_sum "Bi8 Ir8 S8"
_cell_length_a 6.219056
_cell_length_b 6.219056
_cell_length_c 12.438112
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SuperCellAction | 8e960c6a-5d0b-4d0c-92d6-77c5db2b2fee | mp-1188838 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Cs2P2H4O8
_chemical_formula_sum "Cs2 P2 H4 O8"
_cell_length_a 4.94896353
_cell_length_b 6.589359
_cell_length_c 8.03895871
_cell_angle_alpha 90.0
_cell_angle_beta 107.81996615
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cs2P2H4O8Cs2P2H4O8Cs2P2H4O8Cs2P2H4O8
_chemical_formula_sum "Cs8 P8 H16 O32"
_cell_length_a 9.89792706
_cell_length_b 13.178718
_cell_length_c 8.03895871
_cell_angle_alpha 90.0
_cell_angle_beta 107.81996615
_cell_angle_gamma 90.0
_s... |
SuperCellAction | 2ab878ce-6aa2-4135-b8c7-5bfab52ca4c7 | mp-28092 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2B40H52O2B40H52O2B40H52O2B40H52O2B40H52O2B40H52O2B40H52O2
_chemical_formula_sum "B320 H416 O16"
_cell_length_a 26.82157126
_cell_length_b 26.82157126
_cell_length_c 20.79515374
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.0... |
SuperCellAction | 0cbedebc-58b6-42e1-a55b-fb3bdad723c3 | mp-2229854 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... | data_image0
_chemical_formula_structural MgPb4W2O10MgPb4W2O10MgPb4W2O10MgPb4W2O10MgPb4W2O10MgPb4W2O10
_chemical_formula_sum "Mg6 Pb24 W12 O60"
_cell_length_a 5.87975561
_cell_length_b 23.32069884
_cell_length_c 20.36283876
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.7... |
SuperCellAction | b5bdd6cf-8130-488e-8d0b-c14da3aa2f3a | mp-1200769 | Create a supercell with the size 3X2X1. | 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 Yb3Ga24Cu12Yb3Ga24Cu12Yb3Ga24Cu12Yb3Ga24Cu12Yb3Ga24Cu12Yb3Ga24Cu12
_chemical_formula_sum "Yb18 Ga144 Cu72"
_cell_length_a 30.56122257
_cell_length_b 20.37414838
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta ... |
SuperCellAction | fe406153-5bcf-4fbf-943d-798c4d740194 | mp-1245678 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Y16Al16N32
_chemical_formula_sum "Y16 Al16 N32"
_cell_length_a 5.117963
_cell_length_b 10.130638
_cell_length_c 16.120956
_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 Y16Al16N32Y16Al16N32Y16Al16N32Y16Al16N32
_chemical_formula_sum "Y64 Al64 N128"
_cell_length_a 10.235926
_cell_length_b 10.130638
_cell_length_c 32.241912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | e546b3ed-232e-498a-aa51-d83d30b70523 | mp-754770 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Li4Mn4F12
_chemical_formula_sum "Li4 Mn4 F12"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Li4Mn4F12Li4Mn4F12Li4Mn4F12Li4Mn4F12
_chemical_formula_sum "Li16 Mn16 F48"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 27.78102048
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 845eff04-4911-48c6-a859-061519bae32e | mp-1225843 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural K6Te3H32O28
_chemical_formula_sum "K6 Te3 H32 O28"
_cell_length_a 8.16066967
_cell_length_b 9.343131350000002
_cell_length_c 10.28043837
_cell_angle_alpha 101.91143083
_cell_angle_beta 106.78901273
_cell_angle_gamma 95.86402284
_sp... | data_image0
_chemical_formula_structural K6Te3H32O28K6Te3H32O28K6Te3H32O28K6Te3H32O28K6Te3H32O28K6Te3H32O28K6Te3H32O28K6Te3H32O28
_chemical_formula_sum "K48 Te24 H256 O224"
_cell_length_a 16.32133934
_cell_length_b 37.37252540000001
_cell_length_c 10.28043837
_cell_angle_alpha 10... |
SuperCellAction | 7af5aa1d-c437-4c7c-a872-0b2b0ae36cb6 | mp-774653 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li4Mn3Cu2Sn3O16
_chemical_formula_sum "Li4 Mn3 Cu2 Sn3 O16"
_cell_length_a 6.08433247
_cell_length_b 6.10424729
_cell_length_c 9.81937428
_cell_angle_alpha 89.99063356
_cell_angle_beta 87.51752301
_cell_angle_gamma 120.1096729200000... | data_image0
_chemical_formula_structural Li4Mn3Cu2Sn3O16Li4Mn3Cu2Sn3O16Li4Mn3Cu2Sn3O16Li4Mn3Cu2Sn3O16
_chemical_formula_sum "Li16 Mn12 Cu8 Sn12 O64"
_cell_length_a 12.16866494
_cell_length_b 12.20849458
_cell_length_c 9.81937428
_cell_angle_alpha 89.99063356
_cell_angle_beta ... |
SuperCellAction | 320f74e6-dae9-4263-b7af-c6754504ce54 | mp-16623 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... | data_image0
_chemical_formula_structural Dy2Al14Au6Dy2Al14Au6Dy2Al14Au6Dy2Al14Au6Dy2Al14Au6Dy2Al14Au6Dy2Al14Au6Dy2Al14Au6
_chemical_formula_sum "Dy16 Al112 Au48"
_cell_length_a 33.52241712
_cell_length_b 8.38060428
_cell_length_c 16.76120926
_cell_angle_alpha 57.34452265999998
_c... |
SuperCellAction | 2562f60c-e61c-4587-bff5-22f031268cc6 | mp-1191448 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... | data_image0
_chemical_formula_structural Co2I4O16Co2I4O16Co2I4O16Co2I4O16Co2I4O16Co2I4O16Co2I4O16Co2I4O16
_chemical_formula_sum "Co16 I32 O128"
_cell_length_a 18.65181832
_cell_length_b 6.6695645
_cell_length_c 20.11476222
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.166... |
SuperCellAction | 8cab0a92-5e81-4378-bd15-db167b993fc4 | mp-558801 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural K4Pr8Cl18O4
_chemical_formula_sum "K4 Pr8 Cl18 O4"
_cell_length_a 11.496786
_cell_length_b 8.479488
_cell_length_c 9.59411548
_cell_angle_alpha 75.56137175
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K4Pr8Cl18O4K4Pr8Cl18O4K4Pr8Cl18O4K4Pr8Cl18O4K4Pr8Cl18O4K4Pr8Cl18O4
_chemical_formula_sum "K24 Pr48 Cl108 O24"
_cell_length_a 22.993572
_cell_length_b 25.438464
_cell_length_c 9.59411548
_cell_angle_alpha 75.56137175
_cell_angle_beta 90... |
SuperCellAction | 81a22d69-a586-46e0-afa9-82bc4485c254 | mp-1192120 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Si3N6F12
_chemical_formula_sum "Si3 N6 F12"
_cell_length_a 18.42231637
_cell_length_b 18.422316369999997
_cell_length_c 18.422316370000004
_cell_angle_alpha 163.13371695
_cell_angle_beta 163.00515556999994
_cell_angle_gamma 24.03236... | data_image0
_chemical_formula_structural Si3N6F12Si3N6F12Si3N6F12Si3N6F12Si3N6F12Si3N6F12Si3N6F12Si3N6F12
_chemical_formula_sum "Si24 N48 F96"
_cell_length_a 36.84463274
_cell_length_b 18.422316369999997
_cell_length_c 73.68926548000002
_cell_angle_alpha 163.13371695
_cell_angle_... |
SuperCellAction | 1cae26b0-37e1-46bf-971b-6f3d5bcab17d | mp-1216954 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6Tm6Sc6Ge6Tm6Sc6Ge6Tm6Sc6Ge6Tm6Sc6Ge6Tm6Sc6Ge6
_chemical_formula_sum "Tm36 Sc36 Ge36"
_cell_length_a 18.35250603
_cell_length_b 17.35452124
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.0003... |
SuperCellAction | 0e8caaf6-a825-450e-847a-bc9edae251d8 | mp-1204089 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Cs6Li6U6P12S48
_chemical_formula_sum "Cs6 Li6 U6 P12 S48"
_cell_length_a 13.24006715
_cell_length_b 13.24006715
_cell_length_c 13.24006738
_cell_angle_alpha 72.46178374
_cell_angle_beta 72.46178374
_cell_angle_gamma 72.46178663
_sp... | data_image0
_chemical_formula_structural Cs6Li6U6P12S48Cs6Li6U6P12S48Cs6Li6U6P12S48Cs6Li6U6P12S48
_chemical_formula_sum "Cs24 Li24 U24 P48 S192"
_cell_length_a 52.9602686
_cell_length_b 13.24006715
_cell_length_c 13.24006738
_cell_angle_alpha 72.46178374
_cell_angle_beta 72.4... |
SuperCellAction | 1f4e0f1a-e4ee-4c6a-a1d7-098fdfedf7aa | mp-1193266 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4Al2H16C6N2Cl4Al2H16C6N2Cl4Al2H16C6N2Cl4Al2H16C6N2Cl4Al2H16C6N2Cl4Al2H16C6N2Cl4Al2H16C6N2Cl4
_chemical_formula_sum "Al16 H128 C48 N16 Cl32"
_cell_length_a 30.90655432
_cell_length_b 16.28014854
_cell_length_c 8.848356060000002
_ce... |
SuperCellAction | 40822a8d-c34e-4c0b-bd78-b3306ddd364d | mp-2228948 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10
_chemical_formula_sum "Mg4 Sb8 P8 H8 O40"
_cell_length_a 23.05302524
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689... |
SuperCellAction | 978ddfa7-4d09-490d-8f4c-5594fa2a948e | mp-1213259 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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 Mn32Sn20Mn32Sn20Mn32Sn20Mn32Sn20Mn32Sn20Mn32Sn20
_chemical_formula_sum "Mn192 Sn120"
_cell_length_a 10.9128
_cell_length_b 7.510068
_cell_length_c 64.59639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | b357e484-6689-4017-8980-8d370d3213f1 | mp-1028199 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Mg14AlZn
_chemical_formula_sum "Mg14 Al1 Zn1"
_cell_length_a 6.27904535
_cell_length_b 6.27904485
_cell_length_c 10.29947357
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000258
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14AlZnMg14AlZnMg14AlZnMg14AlZn
_chemical_formula_sum "Mg56 Al4 Zn4"
_cell_length_a 25.1161814
_cell_length_b 6.27904485
_cell_length_c 10.29947357
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000258
_space... |
SuperCellAction | b2a020e5-68fc-43c4-9982-daddbb04275e | mp-1202393 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural U2Al8B6O28
_chemical_formula_sum "U2 Al8 B6 O28"
_cell_length_a 5.650549
_cell_length_b 9.654149
_cell_length_c 10.684810300000002
_cell_angle_alpha 67.18471549000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural U2Al8B6O28U2Al8B6O28U2Al8B6O28U2Al8B6O28U2Al8B6O28U2Al8B6O28
_chemical_formula_sum "U12 Al48 B36 O168"
_cell_length_a 11.301098
_cell_length_b 9.654149
_cell_length_c 32.05443090000001
_cell_angle_alpha 67.18471549
_cell_angle_beta 90.... |
SuperCellAction | 3f2cd828-eb54-41ff-b151-30160e87f859 | mp-1174755 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14
_chemical_formula_sum "Li48 Mn12 Co24 O84"
_cell_length_a 3.01693
_cell_length_b 23.34898389
_cell_length_c 22.26288102
_cell_angle_alpha 79.73668353
_cell_angle_beta... |
SuperCellAction | 11830e86-7f60-4c08-a6e3-c9c4f88ae2f2 | mp-1520190 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural BaCeInSbO6
_chemical_formula_sum "Ba1 Ce1 In1 Sb1 O6"
_cell_length_a 6.0540516
_cell_length_b 6.0540516
_cell_length_c 6.0540516
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural BaCeInSbO6BaCeInSbO6BaCeInSbO6
_chemical_formula_sum "Ba3 Ce3 In3 Sb3 O18"
_cell_length_a 6.0540516
_cell_length_b 6.0540516
_cell_length_c 18.162154800000003
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell... |
SuperCellAction | 3ced2a2f-7a0a-4174-aaef-a1db9e2386ac | mp-630329 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb8Se8O24Pb8Se8O24Pb8Se8O24Pb8Se8O24Pb8Se8O24Pb8Se8O24Pb8Se8O24Pb8Se8O24
_chemical_formula_sum "Pb64 Se64 O192"
_cell_length_a 8.07301543
_cell_length_b 35.39426236
_cell_length_c 18.378641959999996
_cell_angle_alpha 76.60234519
_cell_angl... |
SuperCellAction | e96b70ff-11c7-416f-ba7e-5f804c85df60 | mp-1100732 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li54 Mn12 Co30 O96"
_cell_length_a 2.900659
_cell_length_b 10.325936
_cell_length_c 58.57365555
_cell_angle_alpha 84.59949490000001
_cell_angle... |
SuperCellAction | a1538dd2-b6a5-4af6-98c0-4fedb5d5cdd7 | mp-645694 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Ce12Lu4Se24
_chemical_formula_sum "Ce12 Lu4 Se24"
_cell_length_a 4.100907
_cell_length_b 14.521528
_cell_length_c 17.57191
_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 Ce12Lu4Se24Ce12Lu4Se24Ce12Lu4Se24
_chemical_formula_sum "Ce36 Lu12 Se72"
_cell_length_a 4.100907
_cell_length_b 14.521528
_cell_length_c 52.71572999999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | da84cff7-3605-4ae5-a4d7-806c0dce7dd0 | mp-554397 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Si8O16
_chemical_formula_sum "Si8 O16"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Si8O16Si8O16Si8O16
_chemical_formula_sum "Si24 O48"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 29.324241
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
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