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 | d5c9da69-6c5b-40b5-86a1-3472e3183ca8 | mp-554749 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P18Ir6O54P18Ir6O54P18Ir6O54P18Ir6O54
_chemical_formula_sum "P72 Ir24 O216"
_cell_length_a 9.33263976
_cell_length_b 21.02992708
_cell_length_c 23.2492044
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma ... |
SuperCellAction | ffdbc1ec-1e28-4a76-b792-206a1202c053 | mp-1110571 | Create a supercell with the size 3x1x2. | 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 Na3CrF6Na3CrF6Na3CrF6Na3CrF6Na3CrF6Na3CrF6
_chemical_formula_sum "Na18 Cr6 F36"
_cell_length_a 17.39916
_cell_length_b 5.79972013
_cell_length_c 11.59944076
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma ... |
SuperCellAction | c497c6f8-24ac-4f5f-bb82-4af00ec8f616 | mp-1190284 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Bi8Se9
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... | data_image0
_chemical_formula_structural Bi8Se9Bi8Se9Bi8Se9Bi8Se9Bi8Se9Bi8Se9Bi8Se9Bi8Se9
_chemical_formula_sum "Bi64 Se72"
_cell_length_a 16.82419876
_cell_length_b 4.20604969
_cell_length_c 68.64787716
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_g... |
SuperCellAction | eb9fe348-83da-4963-9d17-6e2b1b8f5dac | mp-1028272 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... | data_image0
_chemical_formula_structural Mg14TiSnMg14TiSnMg14TiSn
_chemical_formula_sum "Mg42 Ti3 Sn3"
_cell_length_a 18.9426441
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_s... |
SuperCellAction | 75ec98a6-869c-4a23-a2b9-2c308076323d | mp-705004 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Li2Ni2P10O30
_chemical_formula_sum "Li2 Ni2 P10 O30"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li2Ni2P10O30Li2Ni2P10O30Li2Ni2P10O30Li2Ni2P10O30Li2Ni2P10O30Li2Ni2P10O30Li2Ni2P10O30Li2Ni2P10O30
_chemical_formula_sum "Li16 Ni16 P80 O240"
_cell_length_a 18.987152
_cell_length_b 10.769426
_cell_length_c 26.443038960000003
_cell_angle_alpha ... |
SuperCellAction | bae100ea-7e78-492b-8fe8-5e41ef559b91 | mp-1112589 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs2HgPdF6Cs2HgPdF6Cs2HgPdF6Cs2HgPdF6Cs2HgPdF6Cs2HgPdF6Cs2HgPdF6Cs2HgPdF6
_chemical_formula_sum "Cs16 Hg8 Pd8 F48"
_cell_length_a 6.45417937
_cell_length_b 12.908358740000002
_cell_length_c 25.816717479999998
_cell_angle_alpha 59.9999999999... |
SuperCellAction | e89cbfe4-7541-41e3-a1ea-ea150dd45723 | mp-1402005 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Ca2Co4O8
_chemical_formula_sum "Ca2 Co4 O8"
_cell_length_a 5.99513272
_cell_length_b 5.99513272
_cell_length_c 5.995132719999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Ca2Co4O8Ca2Co4O8
_chemical_formula_sum "Ca4 Co8 O16"
_cell_length_a 5.99513272
_cell_length_b 5.99513272
_cell_length_c 11.990265439999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59... |
SuperCellAction | c4ab8482-6c92-40e1-a6fa-f5e9f68df10c | mp-18612 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Rb8Mo4S16
_chemical_formula_sum "Rb8 Mo4 S16"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_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 Rb8Mo4S16Rb8Mo4S16Rb8Mo4S16Rb8Mo4S16
_chemical_formula_sum "Rb32 Mo16 S64"
_cell_length_a 7.06149462
_cell_length_b 39.05683608
_cell_length_c 12.53190343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 55fdbb1f-cada-46fd-87ec-0cecba8f7da0 | mp-706446 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Cs2Ti2H20C8O26
_chemical_formula_sum "Cs2 Ti2 H20 C8 O26"
_cell_length_a 11.945101
_cell_length_b 7.228416
_cell_length_c 8.01565343
_cell_angle_alpha 77.92295186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2Ti2H20C8O26Cs2Ti2H20C8O26Cs2Ti2H20C8O26Cs2Ti2H20C8O26Cs2Ti2H20C8O26Cs2Ti2H20C8O26Cs2Ti2H20C8O26Cs2Ti2H20C8O26
_chemical_formula_sum "Cs16 Ti16 H160 C64 O208"
_cell_length_a 11.945101
_cell_length_b 28.913664
_cell_length_c 16.03130686
_cel... |
SuperCellAction | e55a2acd-f2be-4280-a985-9141e4ce57f5 | mp-755976 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Li2MnV4FeO12
_chemical_formula_sum "Li2 Mn1 V4 Fe1 O12"
_cell_length_a 6.99287548
_cell_length_b 6.99287548
_cell_length_c 5.82796424
_cell_angle_alpha 74.53045529
_cell_angle_beta 74.53045529
_cell_angle_gamma 83.17459747
_space_g... | data_image0
_chemical_formula_structural Li2MnV4FeO12Li2MnV4FeO12Li2MnV4FeO12Li2MnV4FeO12Li2MnV4FeO12Li2MnV4FeO12Li2MnV4FeO12Li2MnV4FeO12
_chemical_formula_sum "Li16 Mn8 V32 Fe8 O96"
_cell_length_a 13.98575096
_cell_length_b 13.98575096
_cell_length_c 11.65592848
_cell_angle_alpha ... |
SuperCellAction | f15bcde4-42f6-4ca5-af42-1aca3e1f9e29 | mp-1522056 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... | data_image0
_chemical_formula_structural CaEuTiSnO6CaEuTiSnO6CaEuTiSnO6CaEuTiSnO6CaEuTiSnO6CaEuTiSnO6CaEuTiSnO6CaEuTiSnO6
_chemical_formula_sum "Ca8 Eu8 Ti8 Sn8 O48"
_cell_length_a 5.661041
_cell_length_b 22.644164
_cell_length_c 11.322082
_cell_angle_alpha 60.00000000000001
_cel... |
SuperCellAction | 7041c462-c69c-4844-b97b-fbccaecb21e5 | mp-1100614 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 19.31409866
_cell_length_b 19.31409866
_cell_length_c 5.18226634
_cell_angle_alpha 88.41600811
_cell_angle_beta 88.41600811
_cell_angle_gamma 8.55319050000004
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li72 Mn16 Co40 O128"
_cell_length_a 38.62819732
_cell_length_b 19.31409866
_cell_length_c 20.72906536
_cell_angle_alpha ... |
SuperCellAction | 62db5e4e-c751-4a2f-afe2-e98edbd97182 | mp-1110828 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural K2NaTaF6K2NaTaF6
_chemical_formula_sum "K4 Na2 Ta2 F12"
_cell_length_a 12.30229214
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.99... |
SuperCellAction | b3c6dd40-70ae-4128-9f54-1f21d6497692 | mp-2224725 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural MgV4O8F4
_chemical_formula_sum "Mg1 V4 O8 F4"
_cell_length_a 5.16647683
_cell_length_b 9.2913961
_cell_length_c 5.06689325
_cell_angle_alpha 103.06768326999999
_cell_angle_beta 117.59282424000001
_cell_angle_gamma 77.03198738
_spac... | data_image0
_chemical_formula_structural MgV4O8F4MgV4O8F4MgV4O8F4MgV4O8F4
_chemical_formula_sum "Mg4 V16 O32 F16"
_cell_length_a 5.16647683
_cell_length_b 18.5827922
_cell_length_c 10.1337865
_cell_angle_alpha 103.06768326999999
_cell_angle_beta 117.59282424000001
_cell_angle... |
SuperCellAction | f0d8ab9f-b6d6-4207-a1d9-aa285d2036ad | mp-1193573 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... | data_image0
_chemical_formula_structural Eu2Ni18Ge8Eu2Ni18Ge8Eu2Ni18Ge8Eu2Ni18Ge8
_chemical_formula_sum "Eu8 Ni72 Ge32"
_cell_length_a 16.39464462
_cell_length_b 16.39464462
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_ce... |
SuperCellAction | 5f76ccfb-1389-469d-9ca2-52159b398b7d | mp-1520146 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Ba2PrTiO6
_chemical_formula_sum "Ba2 Pr1 Ti1 O6"
_cell_length_a 6.12040321
_cell_length_b 6.120403210000001
_cell_length_c 6.12040321
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... | data_image0
_chemical_formula_structural Ba2PrTiO6Ba2PrTiO6
_chemical_formula_sum "Ba4 Pr2 Ti2 O12"
_cell_length_a 12.24080642
_cell_length_b 6.120403210000001
_cell_length_c 6.12040321
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
SuperCellAction | a0a2b154-ae4d-4a05-9f63-65b0708443b1 | mp-8762 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4Er8S8O4Er8S8O4Er8S8O4Er8S8O4Er8S8O4
_chemical_formula_sum "Er48 S48 O24"
_cell_length_a 13.59477604
_cell_length_b 20.36268219
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 7998e0a6-0c25-4c30-861b-9d3807ffef26 | mp-1044413 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Zn4Fe4Bi4O20
_chemical_formula_sum "Zn4 Fe4 Bi4 O20"
_cell_length_a 10.499317
_cell_length_b 5.349085
_cell_length_c 8.526569
_cell_angle_alpha 71.10196895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Zn4Fe4Bi4O20Zn4Fe4Bi4O20Zn4Fe4Bi4O20Zn4Fe4Bi4O20Zn4Fe4Bi4O20Zn4Fe4Bi4O20Zn4Fe4Bi4O20Zn4Fe4Bi4O20
_chemical_formula_sum "Zn32 Fe32 Bi32 O160"
_cell_length_a 41.997268
_cell_length_b 10.69817
_cell_length_c 8.526569
_cell_angle_alpha 71.1019... |
SuperCellAction | 394e0038-bf21-4b41-b6e3-ec4295635378 | mp-568693 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... | data_image0
_chemical_formula_structural Gd2Al18Ni6Gd2Al18Ni6Gd2Al18Ni6Gd2Al18Ni6Gd2Al18Ni6Gd2Al18Ni6Gd2Al18Ni6Gd2Al18Ni6
_chemical_formula_sum "Gd16 Al144 Ni48"
_cell_length_a 20.02242512
_cell_length_b 40.04485024
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_a... |
SuperCellAction | f0653bc4-fa6c-41b3-80b6-28af7495325c | mp-557871 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... | data_image0
_chemical_formula_structural Cu2As2Pb2O8Cu2As2Pb2O8Cu2As2Pb2O8Cu2As2Pb2O8Cu2As2Pb2O8Cu2As2Pb2O8Cu2As2Pb2O8Cu2As2Pb2O8
_chemical_formula_sum "Cu16 As16 Pb16 O64"
_cell_length_a 9.881076
_cell_length_b 11.87889036
_cell_length_c 16.22204928
_cell_angle_alpha 78.38046383... |
SuperCellAction | 86981340-339e-430d-9810-f09a5d177b1f | mp-1247260 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Ga16Te12N8
_chemical_formula_sum "Ga16 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ga16Te12N8Ga16Te12N8
_chemical_formula_sum "Ga32 Te24 N16"
_cell_length_a 6.373513
_cell_length_b 22.680728
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | 4b4584d6-b6c1-4501-af90-e7bd8ab50cc3 | mp-17446 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Pr4Pt4F28
_chemical_formula_sum "Pr4 Pt4 F28"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr4Pt4F28Pr4Pt4F28Pr4Pt4F28Pr4Pt4F28Pr4Pt4F28Pr4Pt4F28
_chemical_formula_sum "Pr24 Pt24 F168"
_cell_length_a 5.55250346
_cell_length_b 18.33477338
_cell_length_c 36.87648615
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | df0f7019-baf7-483f-94d6-a3f9a695f414 | mp-1179123 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural U12O40
_chemical_formula_sum "U12 O40"
_cell_length_a 20.445114
_cell_length_b 5.881327
_cell_length_c 7.99873712
_cell_angle_alpha 62.64545598
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural U12O40U12O40U12O40U12O40
_chemical_formula_sum "U48 O160"
_cell_length_a 81.780456
_cell_length_b 5.881327
_cell_length_c 7.99873712
_cell_angle_alpha 62.64545598
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | aa59f1f2-fb87-4871-9603-136192b0855e | mp-1246639 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Nb6Pb6N10
_chemical_formula_sum "Nb6 Pb6 N10"
_cell_length_a 6.38022584
_cell_length_b 7.95680505
_cell_length_c 9.24835502
_cell_angle_alpha 104.97785735000001
_cell_angle_beta 96.23365096
_cell_angle_gamma 104.06418794000001
_spa... | data_image0
_chemical_formula_structural Nb6Pb6N10Nb6Pb6N10Nb6Pb6N10Nb6Pb6N10Nb6Pb6N10Nb6Pb6N10
_chemical_formula_sum "Nb36 Pb36 N60"
_cell_length_a 19.140677519999997
_cell_length_b 7.95680505
_cell_length_c 18.49671004
_cell_angle_alpha 104.97785735000001
_cell_angle_beta 9... |
SuperCellAction | 338e815c-bf44-4ad8-9942-7b5df24e0a8a | mp-697774 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Li8Cr4P8O32
_chemical_formula_sum "Li8 Cr4 P8 O32"
_cell_length_a 17.437115
_cell_length_b 4.884287
_cell_length_c 6.59633722
_cell_angle_alpha 85.48475802999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Cr4P8O32Li8Cr4P8O32
_chemical_formula_sum "Li16 Cr8 P16 O64"
_cell_length_a 17.437115
_cell_length_b 4.884287
_cell_length_c 13.19267444
_cell_angle_alpha 85.48475802999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 48142b2d-d46b-4cf6-b06c-3ba2fbc05f0b | mp-28457 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... | data_image0
_chemical_formula_structural Ba2Ta15O32Ba2Ta15O32
_chemical_formula_sum "Ba4 Ta30 O64"
_cell_length_a 12.7109296
_cell_length_b 25.42185922
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.7... |
SuperCellAction | d0c9b7e6-77bf-4dc0-bf1f-0ac0f880a928 | mp-754121 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Li4Al2Co2O8
_chemical_formula_sum "Li4 Al2 Co2 O8"
_cell_length_a 5.003307
_cell_length_b 5.503017
_cell_length_c 6.240762
_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 Li4Al2Co2O8Li4Al2Co2O8
_chemical_formula_sum "Li8 Al4 Co4 O16"
_cell_length_a 10.006614
_cell_length_b 5.503017
_cell_length_c 6.240762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | c5a30e30-ddab-4672-9428-e3d8fccd0bb5 | mp-1227224 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24Ca4La4Nb4Co4O24Ca4La4Nb4Co4O24Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca16 La16 Nb16 Co16 O96"
_cell_length_a 23.0086222
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_bet... |
SuperCellAction | f88205f1-71f8-4494-866d-7749de2ec6d6 | mp-1102706 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Eu3Ga8
_chemical_formula_sum "Eu3 Ga8"
_cell_length_a 13.19680096
_cell_length_b 13.19680096
_cell_length_c 13.19680096
_cell_angle_alpha 160.74251643000002
_cell_angle_beta 160.19978947
_cell_angle_gamma 27.75764840999999
_space_g... | data_image0
_chemical_formula_structural Eu3Ga8Eu3Ga8Eu3Ga8Eu3Ga8Eu3Ga8Eu3Ga8Eu3Ga8Eu3Ga8
_chemical_formula_sum "Eu24 Ga64"
_cell_length_a 26.39360192
_cell_length_b 13.19680096
_cell_length_c 52.78720384
_cell_angle_alpha 160.74251643000002
_cell_angle_beta 160.19978947
_cel... |
SuperCellAction | 5e3b4798-dc85-4283-9712-2ace754fc720 | mp-1192578 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... | data_image0
_chemical_formula_structural K2Ca4USi4O16K2Ca4USi4O16K2Ca4USi4O16K2Ca4USi4O16K2Ca4USi4O16K2Ca4USi4O16K2Ca4USi4O16K2Ca4USi4O16
_chemical_formula_sum "K16 Ca32 U8 Si32 O128"
_cell_length_a 13.44461
_cell_length_b 6.76571075
_cell_length_c 39.24232204
_cell_angle_alpha 9... |
SuperCellAction | a93ff464-cc09-4822-b00a-bebb84702b93 | mp-756031 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... | data_image0
_chemical_formula_structural Li4Co4O2F12Li4Co4O2F12Li4Co4O2F12Li4Co4O2F12Li4Co4O2F12Li4Co4O2F12Li4Co4O2F12Li4Co4O2F12
_chemical_formula_sum "Li32 Co32 O16 F96"
_cell_length_a 10.67148
_cell_length_b 6.683689180000001
_cell_length_c 33.49461444
_cell_angle_alpha 71.216... |
SuperCellAction | 87441f2c-c575-47ac-a6f6-e1d968e1fae9 | mp-30667 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Sr32Ga28
_chemical_formula_sum "Sr32 Ga28"
_cell_length_a 12.4439314
_cell_length_b 12.4439314
_cell_length_c 12.4439314
_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 Sr32Ga28Sr32Ga28Sr32Ga28Sr32Ga28Sr32Ga28Sr32Ga28
_chemical_formula_sum "Sr192 Ga168"
_cell_length_a 24.8878628
_cell_length_b 37.331794200000004
_cell_length_c 12.4439314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | bd564632-c96e-4ea7-8279-9a14310ca110 | mp-661715 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2
_chemical_formula_sum "Ti16 S16 Cl96 O16"
_cell_length_a 6.632096
_cell_length_b 16.3775612
_cell_length_c 44.90060108
_cell_angle_alpha 108.50382951
... |
SuperCellAction | 9835f9be-f9a4-4e4f-b346-1cc2fa960a71 | mp-573073 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38
_chemical_formula_sum "Cs42 Cu36 F114"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 47.55508368
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | 34a46789-415f-41eb-9d33-30500e6302df | mp-1226157 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2TiW3O12Cs2TiW3O12Cs2TiW3O12Cs2TiW3O12
_chemical_formula_sum "Cs8 Ti4 W12 O48"
_cell_length_a 7.25743517
_cell_length_b 14.51487034
_cell_length_c 14.514870800000002
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999... |
SuperCellAction | 109692d3-9088-48c8-938b-cc702172416f | mp-1188640 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr10Sn6As2Zr10Sn6As2Zr10Sn6As2Zr10Sn6As2Zr10Sn6As2Zr10Sn6As2
_chemical_formula_sum "Zr60 Sn36 As12"
_cell_length_a 25.99325853
_cell_length_b 8.66441951
_cell_length_c 11.9188003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | d4967853-48d1-4a9a-9334-035be50500b4 | mp-1175936 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li36 Mn8 Co20 O64"
_cell_length_a 5.099906
_cell_length_b 10.25795692
_cell_length_c 23.28648038
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.6161306000... |
SuperCellAction | 5ea6de67-222d-4c48-9d69-805e7623b9fc | mp-1041494 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Mg2Cu4O8
_chemical_formula_sum "Mg2 Cu4 O8"
_cell_length_a 5.86500225
_cell_length_b 5.865002249999999
_cell_length_c 5.865002250000001
_cell_angle_alpha 118.43467495
_cell_angle_beta 118.31981506999999
_cell_angle_gamma 92.83448037... | data_image0
_chemical_formula_structural Mg2Cu4O8Mg2Cu4O8
_chemical_formula_sum "Mg4 Cu8 O16"
_cell_length_a 11.7300045
_cell_length_b 5.865002249999999
_cell_length_c 5.865002250000001
_cell_angle_alpha 118.43467495
_cell_angle_beta 118.31981506999999
_cell_angle_gamma 92... |
SuperCellAction | 08e48245-98ed-44e4-b679-d1d3c5193812 | mp-1041677 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... | data_image0
_chemical_formula_structural Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14
_chemical_formula_sum "Mg16 Sn16 P32 O112"
_cell_length_a 12.666878
_cell_length_b 27.027488160000004
_cell_length_c 6.9894803
_cell_angle_alpha 86.90... |
SuperCellAction | 67e88968-40e2-4cba-af93-37f3275c3ff2 | mp-561179 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba8Cu4I4O8Ba8Cu4I4O8Ba8Cu4I4O8Ba8Cu4I4O8Ba8Cu4I4O8Ba8Cu4I4O8Ba8Cu4I4O8Ba8Cu4I4O8
_chemical_formula_sum "Ba64 Cu32 I32 O64"
_cell_length_a 4.44409499
_cell_length_b 22.17089854
_cell_length_c 56.52248808000001
_cell_angle_alpha 88.263923719... |
SuperCellAction | 980a209b-385a-429a-be5e-96c909d01e48 | mp-755245 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Li2Cu2P2O8
_chemical_formula_sum "Li2 Cu2 P2 O8"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Cu2P2O8Li2Cu2P2O8Li2Cu2P2O8Li2Cu2P2O8Li2Cu2P2O8Li2Cu2P2O8Li2Cu2P2O8Li2Cu2P2O8
_chemical_formula_sum "Li16 Cu16 P16 O64"
_cell_length_a 9.80790206
_cell_length_b 4.90395103
_cell_length_c 25.094848
_cell_angle_alpha 90.0
_cell_angle_beta... |
SuperCellAction | 4a42a432-7298-4275-905e-3dcc83e9589a | mp-1042982 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Ca4Ti4Ge8O24
_chemical_formula_sum "Ca4 Ti4 Ge8 O24"
_cell_length_a 8.694751
_cell_length_b 5.417338
_cell_length_c 12.18759108
_cell_angle_alpha 77.25828107
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4Ti4Ge8O24Ca4Ti4Ge8O24Ca4Ti4Ge8O24Ca4Ti4Ge8O24Ca4Ti4Ge8O24Ca4Ti4Ge8O24Ca4Ti4Ge8O24Ca4Ti4Ge8O24
_chemical_formula_sum "Ca32 Ti32 Ge64 O192"
_cell_length_a 34.779004
_cell_length_b 10.834676
_cell_length_c 12.18759108
_cell_angle_alpha 77.... |
SuperCellAction | 998ec65f-4ca3-4bd4-9c94-cf457f028ab4 | mp-557730 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... | data_image0
_chemical_formula_structural Dy2P6O18Dy2P6O18Dy2P6O18Dy2P6O18Dy2P6O18Dy2P6O18Dy2P6O18Dy2P6O18
_chemical_formula_sum "Dy16 P48 O144"
_cell_length_a 15.70174094
_cell_length_b 7.85087047
_cell_length_c 40.18045224
_cell_angle_alpha 56.61469013000001
_cell_angle_beta ... |
SuperCellAction | 48ae4de5-01f7-476d-ae9d-62d8fc668338 | mp-1225213 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Gd16Mg2Al2Ni4
_chemical_formula_sum "Gd16 Mg2 Al2 Ni4"
_cell_length_a 9.63804673
_cell_length_b 9.64592505
_cell_length_c 9.63761693
_cell_angle_alpha 89.97712148
_cell_angle_beta 59.58567098
_cell_angle_gamma 119.59453814
_space_g... | data_image0
_chemical_formula_structural Gd16Mg2Al2Ni4Gd16Mg2Al2Ni4Gd16Mg2Al2Ni4Gd16Mg2Al2Ni4Gd16Mg2Al2Ni4Gd16Mg2Al2Ni4Gd16Mg2Al2Ni4Gd16Mg2Al2Ni4
_chemical_formula_sum "Gd128 Mg16 Al16 Ni32"
_cell_length_a 19.27609346
_cell_length_b 19.2918501
_cell_length_c 19.27523386
_cell_angle_... |
SuperCellAction | 5925db84-5d81-4677-ae9a-544235d5c761 | mp-1195660 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48Ba8Ga2B20H14O48Ba8Ga2B20H14O48Ba8Ga2B20H14O48Ba8Ga2B20H14O48Ba8Ga2B20H14O48Ba8Ga2B20H14O48Ba8Ga2B20H14O48
_chemical_formula_sum "Ba64 Ga16 B160 H112 O384"
_cell_length_a 28.47907784
_cell_length_b 7.11976946
_cell_length_c 45.9... |
SuperCellAction | 210bb300-f508-4ff3-be36-57f9fe1049b2 | mp-1220398 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Nb2Mo2S6
_chemical_formula_sum "Nb2 Mo2 S6"
_cell_length_a 3.28209
_cell_length_b 6.269142
_cell_length_c 8.80014441
_cell_angle_alpha 75.81521402
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Nb2Mo2S6Nb2Mo2S6
_chemical_formula_sum "Nb4 Mo4 S12"
_cell_length_a 6.56418
_cell_length_b 6.269142
_cell_length_c 8.80014441
_cell_angle_alpha 75.81521402
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SuperCellAction | 7c43d373-c5a1-4948-9c8f-103f035e4b82 | mp-1358572 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Cr12O24
_chemical_formula_sum "Cr12 O24"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group_nam... | data_image0
_chemical_formula_structural Cr12O24Cr12O24Cr12O24Cr12O24Cr12O24Cr12O24
_chemical_formula_sum "Cr72 O144"
_cell_length_a 17.830790399999998
_cell_length_b 11.89982848
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle... |
SuperCellAction | 354a80c3-15cb-4ee9-8ea4-1c3f4c3cf986 | mp-1219272 | Create a supercell with the size 1*2*2. | 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 Sm4CrFe33C4Sm4CrFe33C4Sm4CrFe33C4Sm4CrFe33C4
_chemical_formula_sum "Sm16 Cr4 Fe132 C16"
_cell_length_a 6.50403639
_cell_length_b 12.96042384
_cell_length_c 26.01269594
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_ang... |
SuperCellAction | d8029c51-370c-4ba1-b9b0-b5765010f0f8 | mp-1041677 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... | data_image0
_chemical_formula_structural Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14
_chemical_formula_sum "Mg16 Sn16 P32 O112"
_cell_length_a 25.333756
_cell_length_b 13.513744080000002
_cell_length_c 6.9894803
_cell_angle_alpha 86.90... |
SuperCellAction | 3c80d3c8-23bd-4ce6-9d79-1642fbdb83b6 | mp-765137 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.775976
_cell_length_b 9.78511963
_cell_length_c 14.093324310000002
_cell_angle_alpha 89.79001539000001
_cell_angle_beta 89.60093575
_cell_angle_gamma 60.392735199... | data_image0
_chemical_formula_structural Li10V6P16O58Li10V6P16O58Li10V6P16O58
_chemical_formula_sum "Li30 V18 P48 O174"
_cell_length_a 9.775976
_cell_length_b 9.78511963
_cell_length_c 42.27997293
_cell_angle_alpha 89.79001539000001
_cell_angle_beta 89.60093575
_cell_angle_ga... |
SuperCellAction | 894ad232-1c33-4080-a1c9-55d08d39eadf | mp-14215 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Ba32Ge8P32
_chemical_formula_sum "Ba32 Ge8 P32"
_cell_length_a 13.224191
_cell_length_b 13.224191
_cell_length_c 13.224191
_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 Ba32Ge8P32Ba32Ge8P32Ba32Ge8P32
_chemical_formula_sum "Ba96 Ge24 P96"
_cell_length_a 13.224191
_cell_length_b 39.672573
_cell_length_c 13.224191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 89940e22-8e31-47dc-8fe7-9a0e6327fa1f | mp-1225501 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Dy6Al6Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_gro... | data_image0
_chemical_formula_structural Dy6Al6Fe12Dy6Al6Fe12Dy6Al6Fe12Dy6Al6Fe12Dy6Al6Fe12Dy6Al6Fe12Dy6Al6Fe12Dy6Al6Fe12
_chemical_formula_sum "Dy48 Al48 Fe96"
_cell_length_a 5.27242289
_cell_length_b 10.54484578
_cell_length_c 64.815016
_cell_angle_alpha 89.99993312
_cell_angle... |
SuperCellAction | b9118b45-32a6-4054-9486-09177a6a2b1d | mp-1040411 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural CsHfMg30O31
_chemical_formula_sum "Cs1 Hf1 Mg30 O31"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... | data_image0
_chemical_formula_structural CsHfMg30O31CsHfMg30O31CsHfMg30O31CsHfMg30O31CsHfMg30O31CsHfMg30O31CsHfMg30O31CsHfMg30O31
_chemical_formula_sum "Cs8 Hf8 Mg240 O248"
_cell_length_a 17.32805398
_cell_length_b 8.77212617
_cell_length_c 35.08274795999999
_cell_angle_alpha 89.... |
SuperCellAction | 564f4d90-c035-4baf-98e1-b97405327ea5 | mp-2231482 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural MgCo6O8F4
_chemical_formula_sum "Mg1 Co6 O8 F4"
_cell_length_a 8.08584555
_cell_length_b 5.65752565
_cell_length_c 5.82326752
_cell_angle_alpha 65.24668026
_cell_angle_beta 63.46810311000001
_cell_angle_gamma 64.54330281
_space_gro... | data_image0
_chemical_formula_structural MgCo6O8F4MgCo6O8F4MgCo6O8F4MgCo6O8F4MgCo6O8F4MgCo6O8F4
_chemical_formula_sum "Mg6 Co36 O48 F24"
_cell_length_a 8.08584555
_cell_length_b 11.3150513
_cell_length_c 17.46980256
_cell_angle_alpha 65.24668026
_cell_angle_beta 63.4681031100... |
SuperCellAction | 6fb1c33e-7dff-4b91-9921-126a1bdec075 | mp-1222538 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 4.18470949
_cell_length_b 7.842257359999999
_cell_length_c 5.146401900000001
_cell_angle_alpha 89.66758232999999
_cell_angle_beta 113.96656798
_cell_angle_gamma 74.55276536
_... | data_image0
_chemical_formula_structural Li2V6O8Li2V6O8Li2V6O8
_chemical_formula_sum "Li6 V18 O24"
_cell_length_a 4.18470949
_cell_length_b 7.842257359999999
_cell_length_c 15.4392057
_cell_angle_alpha 89.66758232999999
_cell_angle_beta 113.96656798
_cell_angle_gamma 74.55... |
SuperCellAction | df43dcaf-9f17-43ba-9852-12f988d000d4 | mp-1223827 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... | data_image0
_chemical_formula_structural K2NaNbO2F4K2NaNbO2F4K2NaNbO2F4K2NaNbO2F4
_chemical_formula_sum "K8 Na4 Nb4 O8 F16"
_cell_length_a 24.33495032
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_... |
SuperCellAction | 702047b0-e74d-494c-8d80-9212505b368c | mp-28988 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural In28Br36
_chemical_formula_sum "In28 Br36"
_cell_length_a 12.921311
_cell_length_b 12.921311
_cell_length_c 12.921311
_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 In28Br36In28Br36In28Br36In28Br36
_chemical_formula_sum "In112 Br144"
_cell_length_a 12.921311
_cell_length_b 51.685244
_cell_length_c 12.921311
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 838d8386-8658-465b-aad4-82cf9e72ffca | mp-755971 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Li2Mn3TeO8
_chemical_formula_sum "Li2 Mn3 Te1 O8"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_g... | data_image0
_chemical_formula_structural Li2Mn3TeO8Li2Mn3TeO8Li2Mn3TeO8Li2Mn3TeO8
_chemical_formula_sum "Li8 Mn12 Te4 O32"
_cell_length_a 12.47887978
_cell_length_b 12.48078736
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_an... |
SuperCellAction | 63041df1-ad06-40b5-94b4-27d5d7d1a0c4 | mp-1331701 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Mg4Ta2Sn2O12
_chemical_formula_sum "Mg4 Ta2 Sn2 O12"
_cell_length_a 7.822508
_cell_length_b 5.453126
_cell_length_c 5.5392749100000005
_cell_angle_alpha 88.0051843
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mg4Ta2Sn2O12Mg4Ta2Sn2O12Mg4Ta2Sn2O12
_chemical_formula_sum "Mg12 Ta6 Sn6 O36"
_cell_length_a 7.822508
_cell_length_b 5.453126
_cell_length_c 16.61782473
_cell_angle_alpha 88.0051843
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | c5581338-557d-412b-98d3-697309a21970 | mp-775212 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... | data_image0
_chemical_formula_structural Mn2V4P6O24Mn2V4P6O24Mn2V4P6O24Mn2V4P6O24
_chemical_formula_sum "Mn8 V16 P24 O96"
_cell_length_a 17.27874078
_cell_length_b 17.278740779999996
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_an... |
SuperCellAction | ea39c5c1-bedf-4d9f-9df7-43433bc9d7ba | mp-726132 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural Ta2N4Cl10Ta2N4Cl10Ta2N4Cl10Ta2N4Cl10
_chemical_formula_sum "Ta8 N16 Cl40"
_cell_length_a 21.0814045
_cell_length_b 10.54070225
_cell_length_c 21.081404499999998
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_... |
SuperCellAction | 44ac3684-ae3b-4b2d-9d26-2ed4f24c3384 | mp-1194895 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Th8Te12Mo4O52Th8Te12Mo4O52Th8Te12Mo4O52Th8Te12Mo4O52Th8Te12Mo4O52Th8Te12Mo4O52
_chemical_formula_sum "Th48 Te72 Mo24 O312"
_cell_length_a 21.573096
_cell_length_b 11.50721
_cell_length_c 28.45259512
_cell_angle_alpha 89.42976733999998
_cel... |
SuperCellAction | 0684d75e-f008-438b-bc4b-53f5eff91e61 | mp-726132 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural Ta2N4Cl10Ta2N4Cl10Ta2N4Cl10Ta2N4Cl10
_chemical_formula_sum "Ta8 N16 Cl40"
_cell_length_a 21.0814045
_cell_length_b 10.54070225
_cell_length_c 21.081404499999998
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_... |
SuperCellAction | fbcc84f5-815c-4c37-9b27-9ed62b7d3b02 | mp-1111080 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... | data_image0
_chemical_formula_structural K3GaF6K3GaF6K3GaF6K3GaF6K3GaF6K3GaF6K3GaF6K3GaF6
_chemical_formula_sum "K24 Ga8 F48"
_cell_length_a 12.30094968
_cell_length_b 6.15047484
_cell_length_c 24.60189936
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.9999999999999... |
SuperCellAction | bf344628-9c9c-466a-95a8-47ad914d82e5 | mp-1182503 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Fe16O34
_chemical_formula_sum "Fe16 O34"
_cell_length_a 5.88302
_cell_length_b 10.13313594
_cell_length_c 10.4412778
_cell_angle_alpha 90.96816243
_cell_angle_beta 90.07135306999999
_cell_angle_gamma 90.0247319
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe16O34Fe16O34Fe16O34Fe16O34
_chemical_formula_sum "Fe64 O136"
_cell_length_a 23.53208
_cell_length_b 10.13313594
_cell_length_c 10.4412778
_cell_angle_alpha 90.96816243
_cell_angle_beta 90.07135306999999
_cell_angle_gamma 90.024731... |
SuperCellAction | 1dfe0aa1-8fa3-41ee-b14d-e72dc4ba8320 | mp-767632 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16V4P4O16V4P4O16
_chemical_formula_sum "V12 P12 O48"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 19.41990024
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569... |
SuperCellAction | 9083c7c8-d71e-4019-b165-5479854a602b | mp-1191979 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Rb4Tl4F16
_chemical_formula_sum "Rb4 Tl4 F16"
_cell_length_a 6.338922
_cell_length_b 8.451161
_cell_length_c 8.626718
_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 Rb4Tl4F16Rb4Tl4F16Rb4Tl4F16Rb4Tl4F16Rb4Tl4F16Rb4Tl4F16
_chemical_formula_sum "Rb24 Tl24 F96"
_cell_length_a 6.338922
_cell_length_b 25.353483000000004
_cell_length_c 17.253436
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 3fe98c05-39a0-42ae-8389-a01ab01898a2 | mp-1095658 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Tb8Au4
_chemical_formula_sum "Tb8 Au4"
_cell_length_a 4.97480589
_cell_length_b 7.11026814
_cell_length_c 8.92548935
_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 Tb8Au4Tb8Au4Tb8Au4Tb8Au4Tb8Au4Tb8Au4Tb8Au4Tb8Au4
_chemical_formula_sum "Tb64 Au32"
_cell_length_a 9.94961178
_cell_length_b 14.22053628
_cell_length_c 17.8509787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 0774f56b-6e51-4b37-98b4-863a1c061ba2 | mp-831055 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 8.449545
_cell_length_b 6.999415
_cell_length_c 9.187202510000002
_cell_angle_alpha 67.79545209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cr4P8O28Li4Cr4P8O28Li4Cr4P8O28Li4Cr4P8O28Li4Cr4P8O28Li4Cr4P8O28
_chemical_formula_sum "Li24 Cr24 P48 O168"
_cell_length_a 16.89909
_cell_length_b 6.999415
_cell_length_c 27.561607530000003
_cell_angle_alpha 67.79545209
_cell_angle_beta ... |
SuperCellAction | de8ea1b9-8919-447f-9594-c814d43fe34a | mp-774237 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... | data_image0
_chemical_formula_structural Li5Cr2Ni5O12Li5Cr2Ni5O12Li5Cr2Ni5O12Li5Cr2Ni5O12
_chemical_formula_sum "Li20 Cr8 Ni20 O48"
_cell_length_a 5.11569181
_cell_length_b 10.23138362
_cell_length_c 19.5422219
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.652737870... |
SuperCellAction | 2e96cd69-9ebe-4ee4-b048-cebbd140d285 | mp-1226157 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2TiW3O12Cs2TiW3O12Cs2TiW3O12Cs2TiW3O12Cs2TiW3O12Cs2TiW3O12
_chemical_formula_sum "Cs12 Ti6 W18 O72"
_cell_length_a 7.25743517
_cell_length_b 21.77230551
_cell_length_c 14.514870800000002
_cell_angle_alpha 60.40379136999999
_cell_angle_be... |
SuperCellAction | 93e96e44-b6e0-426c-9ed2-7e60cfd4e872 | mp-1189135 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Dy6Cu6Sb8
_chemical_formula_sum "Dy6 Cu6 Sb8"
_cell_length_a 8.26057995
_cell_length_b 8.26057995
_cell_length_c 8.26057995
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Dy6Cu6Sb8Dy6Cu6Sb8Dy6Cu6Sb8Dy6Cu6Sb8Dy6Cu6Sb8Dy6Cu6Sb8Dy6Cu6Sb8Dy6Cu6Sb8
_chemical_formula_sum "Dy48 Cu48 Sb64"
_cell_length_a 33.0423198
_cell_length_b 8.26057995
_cell_length_c 16.5211599
_cell_angle_alpha 109.47122063
_cell_angle_beta ... |
SuperCellAction | 82bf6d64-e20a-46a5-8775-7ddf056938bb | mp-1211273 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural La4Cr4Se8O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... | data_image0
_chemical_formula_structural La4Cr4Se8O4La4Cr4Se8O4La4Cr4Se8O4La4Cr4Se8O4La4Cr4Se8O4La4Cr4Se8O4
_chemical_formula_sum "La24 Cr24 Se48 O24"
_cell_length_a 3.898326
_cell_length_b 26.349359999999997
_cell_length_c 23.41122
_cell_angle_alpha 90.00068837
_cell_angle_beta ... |
SuperCellAction | 0dfd60ac-0b02-4043-b690-e3f4c1025237 | mp-849289 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Na36Co12O36
_chemical_formula_sum "Na36 Co12 O36"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na36Co12O36Na36Co12O36Na36Co12O36Na36Co12O36Na36Co12O36Na36Co12O36
_chemical_formula_sum "Na216 Co72 O216"
_cell_length_a 8.2560515
_cell_length_b 24.7681545
_cell_length_c 32.696626
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | d0e6f5e6-7917-4be3-a3ba-30f8492508c3 | mp-1006616 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Pr2N6O30
_chemical_formula_sum "Pr2 N6 O30"
_cell_length_a 9.09463367
_cell_length_b 11.70079589
_cell_length_c 7.073050710000001
_cell_angle_alpha 91.50830443999999
_cell_angle_beta 115.14060857999999
_cell_angle_gamma 109.12863527... | data_image0
_chemical_formula_structural Pr2N6O30Pr2N6O30Pr2N6O30Pr2N6O30Pr2N6O30Pr2N6O30
_chemical_formula_sum "Pr12 N36 O180"
_cell_length_a 9.09463367
_cell_length_b 35.10238767
_cell_length_c 14.146101420000003
_cell_angle_alpha 91.50830443999999
_cell_angle_beta 115.1406... |
SuperCellAction | 7cbff7c2-b8fd-4ea3-a281-c115efb884a1 | mp-505098 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Fe8Se12O48
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Fe8Se12O48Fe8Se12O48Fe8Se12O48Fe8Se12O48Fe8Se12O48Fe8Se12O48Fe8Se12O48Fe8Se12O48
_chemical_formula_sum "Fe64 Se96 O384"
_cell_length_a 35.73688632
_cell_length_b 8.57045447
_cell_length_c 29.162996980000003
_cell_angle_alpha 55.32907682
_c... |
SuperCellAction | c2420d65-2bb6-4c6f-a769-3cd5352d7906 | mp-1222777 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Li2CePrMo4O16
_chemical_formula_sum "Li2 Ce1 Pr1 Mo4 O16"
_cell_length_a 5.322373
_cell_length_b 5.322373
_cell_length_c 11.537255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li2CePrMo4O16Li2CePrMo4O16Li2CePrMo4O16Li2CePrMo4O16Li2CePrMo4O16Li2CePrMo4O16Li2CePrMo4O16Li2CePrMo4O16
_chemical_formula_sum "Li16 Ce8 Pr8 Mo32 O128"
_cell_length_a 10.644746
_cell_length_b 5.322373
_cell_length_c 46.14902
_cell_angle_alpha... |
SuperCellAction | e764806c-96f4-49a4-b2b8-efe74823c2b4 | mp-1080201 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_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 Re12N16Re12N16Re12N16Re12N16Re12N16Re12N16
_chemical_formula_sum "Re72 N96"
_cell_length_a 5.274998
_cell_length_b 17.619723
_cell_length_c 20.106254
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 8444aac5-962c-4db4-a86d-f2cb0245e652 | mp-15888 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Ba2YIrO6
_chemical_formula_sum "Ba2 Y1 Ir1 O6"
_cell_length_a 5.97619074
_cell_length_b 5.97619074
_cell_length_c 5.97619074
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ba2YIrO6Ba2YIrO6Ba2YIrO6Ba2YIrO6Ba2YIrO6Ba2YIrO6
_chemical_formula_sum "Ba12 Y6 Ir6 O36"
_cell_length_a 17.92857222
_cell_length_b 5.97619074
_cell_length_c 11.95238148
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.9999999999... |
SuperCellAction | d9286b87-ba19-4c5b-8bf8-547505f1a911 | mp-1219950 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Pr6Ni3Sn14
_chemical_formula_sum "Pr6 Ni3 Sn14"
_cell_length_a 4.58342185
_cell_length_b 4.57783619
_cell_length_c 27.59267038
_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 Pr6Ni3Sn14Pr6Ni3Sn14Pr6Ni3Sn14Pr6Ni3Sn14Pr6Ni3Sn14Pr6Ni3Sn14Pr6Ni3Sn14Pr6Ni3Sn14
_chemical_formula_sum "Pr48 Ni24 Sn112"
_cell_length_a 18.3336874
_cell_length_b 4.57783619
_cell_length_c 55.18534076
_cell_angle_alpha 90.0
_cell_angle_beta... |
SuperCellAction | 1c8701a8-b82e-49bb-a9a7-4ce54838f890 | mp-770748 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 Gd12Ta4O28Gd12Ta4O28Gd12Ta4O28Gd12Ta4O28
_chemical_formula_sum "Gd48 Ta16 O112"
_cell_length_a 15.143902
_cell_length_b 7.613442
_cell_length_c 21.514052
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 7dd24cc5-3643-4b2b-90ff-8f74016c138a | mp-30385 | Create a supercell with the size 1 by 3 by 2. | 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 Ho8Au4Ho8Au4Ho8Au4Ho8Au4Ho8Au4Ho8Au4
_chemical_formula_sum "Ho48 Au24"
_cell_length_a 4.92128578
_cell_length_b 21.15316839
_cell_length_c 17.64657964
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_spac... |
SuperCellAction | 22498769-2dc8-4772-9877-5cf25a301f91 | mp-1214717 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30Ba6Sr4Re6Cl2O30Ba6Sr4Re6Cl2O30Ba6Sr4Re6Cl2O30Ba6Sr4Re6Cl2O30Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba36 Sr24 Re36 Cl12 O180"
_cell_length_a 21.80718732
_cell_length_b 32.71078098
_cell_length_c 7.820346
_cell_angle_alpha 90.... |
SuperCellAction | e6b8167d-7b37-4d5f-b0a1-8c027b33589a | mp-8829 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_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 Cr4Ga4Se12Cr4Ga4Se12Cr4Ga4Se12Cr4Ga4Se12Cr4Ga4Se12Cr4Ga4Se12Cr4Ga4Se12Cr4Ga4Se12
_chemical_formula_sum "Cr32 Ga32 Se96"
_cell_length_a 7.53282286
_cell_length_b 10.26003063
_cell_length_c 49.96873632
_cell_angle_alpha 90.0
_cell_angle_beta... |
SuperCellAction | e526be29-e35f-4d7e-94e4-657d2dadd259 | mp-1174216 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Li4Mn3CoO8
_chemical_formula_sum "Li4 Mn3 Co1 O8"
_cell_length_a 5.08903
_cell_length_b 5.8544980099999995
_cell_length_c 6.02502306
_cell_angle_alpha 61.61996908999999
_cell_angle_beta 77.13094463
_cell_angle_gamma 73.71722812
_sp... | data_image0
_chemical_formula_structural Li4Mn3CoO8Li4Mn3CoO8Li4Mn3CoO8Li4Mn3CoO8Li4Mn3CoO8Li4Mn3CoO8Li4Mn3CoO8Li4Mn3CoO8
_chemical_formula_sum "Li32 Mn24 Co8 O64"
_cell_length_a 20.35612
_cell_length_b 11.708996019999999
_cell_length_c 6.02502306
_cell_angle_alpha 61.61996908999... |
SuperCellAction | 6e4b24dd-6734-46ec-b046-e696107198cb | mp-558938 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Zn16Si4Te4Pb4O40
_chemical_formula_sum "Zn16 Si4 Te4 Pb4 O40"
_cell_length_a 6.622298
_cell_length_b 8.413329
_cell_length_c 15.842037
_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 Zn16Si4Te4Pb4O40Zn16Si4Te4Pb4O40Zn16Si4Te4Pb4O40Zn16Si4Te4Pb4O40Zn16Si4Te4Pb4O40Zn16Si4Te4Pb4O40Zn16Si4Te4Pb4O40Zn16Si4Te4Pb4O40
_chemical_formula_sum "Zn128 Si32 Te32 Pb32 O320"
_cell_length_a 13.244596
_cell_length_b 8.413329
_cell_length_c ... |
SuperCellAction | 6c235726-5970-4eed-aa93-92a2bef3498e | mp-1194776 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Pu2N4O22
_chemical_formula_sum "Pu2 N4 O22"
_cell_length_a 7.364309
_cell_length_b 7.5824605499999995
_cell_length_c 10.34419625
_cell_angle_alpha 82.79390142
_cell_angle_beta 77.72640018
_cell_angle_gamma 67.92998995
_space_group_... | data_image0
_chemical_formula_structural Pu2N4O22Pu2N4O22Pu2N4O22Pu2N4O22Pu2N4O22Pu2N4O22Pu2N4O22Pu2N4O22
_chemical_formula_sum "Pu16 N32 O176"
_cell_length_a 29.457236
_cell_length_b 15.164921099999999
_cell_length_c 10.34419625
_cell_angle_alpha 82.79390142
_cell_angle_beta ... |
SuperCellAction | 0ea527e2-0eda-4a52-98bb-957fd089632f | mp-1199114 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Pu4P8H24C4O32
_chemical_formula_sum "Pu4 P8 H24 C4 O32"
_cell_length_a 5.337554
_cell_length_b 8.573383
_cell_length_c 17.099592490000003
_cell_angle_alpha 90.0
_cell_angle_beta 103.99888517999999
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Pu4P8H24C4O32Pu4P8H24C4O32Pu4P8H24C4O32Pu4P8H24C4O32Pu4P8H24C4O32Pu4P8H24C4O32Pu4P8H24C4O32Pu4P8H24C4O32
_chemical_formula_sum "Pu32 P64 H192 C32 O256"
_cell_length_a 5.337554
_cell_length_b 17.146766
_cell_length_c 68.39836996000001
_cell_an... |
SuperCellAction | 6f05e39f-0aa7-46c3-8cca-54bddb7c56f0 | mp-2503 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8Pd14Se8Pd14Se8Pd14Se8Pd14Se8Pd14Se8
_chemical_formula_sum "Pd84 Se48"
_cell_length_a 10.61739518
_cell_length_b 7.03737506
_cell_length_c 31.09794534
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma ... |
SuperCellAction | acbfa664-45c6-4263-af4b-52eb62b16dde | mp-1212795 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Eu4In4O12
_chemical_formula_sum "Eu4 In4 O12"
_cell_length_a 5.712293
_cell_length_b 5.996883
_cell_length_c 8.162569
_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 Eu4In4O12Eu4In4O12
_chemical_formula_sum "Eu8 In8 O24"
_cell_length_a 5.712293
_cell_length_b 11.993766
_cell_length_c 8.162569
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SuperCellAction | 52c5581d-df2d-4e3c-b715-1d91cd95370d | mp-1235566 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural LiSm4Ti2Mn2O12
_chemical_formula_sum "Li1 Sm4 Ti2 Mn2 O12"
_cell_length_a 5.49944071
_cell_length_b 5.85226931
_cell_length_c 8.08076575
_cell_angle_alpha 90.68396232
_cell_angle_beta 92.62728011999998
_cell_angle_gamma 89.28498085
... | data_image0
_chemical_formula_structural LiSm4Ti2Mn2O12LiSm4Ti2Mn2O12
_chemical_formula_sum "Li2 Sm8 Ti4 Mn4 O24"
_cell_length_a 5.49944071
_cell_length_b 11.70453862
_cell_length_c 8.08076575
_cell_angle_alpha 90.68396232
_cell_angle_beta 92.62728011999998
_cell_angle_gamma ... |
SuperCellAction | 4b32702f-3cf5-45d1-a762-5f52ebc2a2ad | mp-18607 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Mn4Te6O16
_chemical_formula_sum "Mn4 Te6 O16"
_cell_length_a 6.96540129
_cell_length_b 6.96540129
_cell_length_c 11.850641309999999
_cell_angle_alpha 82.66473711
_cell_angle_beta 82.66473711
_cell_angle_gamma 45.40916687
_space_gro... | data_image0
_chemical_formula_structural Mn4Te6O16Mn4Te6O16Mn4Te6O16Mn4Te6O16Mn4Te6O16Mn4Te6O16Mn4Te6O16Mn4Te6O16
_chemical_formula_sum "Mn32 Te48 O128"
_cell_length_a 13.93080258
_cell_length_b 6.96540129
_cell_length_c 47.402565239999994
_cell_angle_alpha 82.66473711
_cell_angl... |
SuperCellAction | 1c1899aa-38af-477d-a25c-8594983f1f33 | mp-1033383 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Mg6NbCO8
_chemical_formula_sum "Mg6 Nb1 C1 O8"
_cell_length_a 9.31731571
_cell_length_b 4.19016084
_cell_length_c 4.19016084
_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 Mg6NbCO8Mg6NbCO8Mg6NbCO8Mg6NbCO8Mg6NbCO8Mg6NbCO8Mg6NbCO8Mg6NbCO8
_chemical_formula_sum "Mg48 Nb8 C8 O64"
_cell_length_a 9.31731571
_cell_length_b 16.76064336
_cell_length_c 8.38032168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | ec672704-520c-435e-8c5a-62784009e712 | mp-1100889 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Y6B6O14Y6B6O14
_chemical_formula_sum "Y12 B12 O28"
_cell_length_a 4.02373971
_cell_length_b 8.0474783
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_... |
SuperCellAction | ed15eeac-3c11-4267-b76c-aa84c48ae4fa | mp-530449 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca21As14O56Ca21As14O56
_chemical_formula_sum "Ca42 As28 O112"
_cell_length_a 28.51154038
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_a... |
SuperCellAction | c6dc85f5-5115-4d5f-8fa5-fb2f0efbb51a | mp-1392236 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Mg2V2P2O10
_chemical_formula_sum "Mg2 V2 P2 O10"
_cell_length_a 5.306659
_cell_length_b 5.45143155
_cell_length_c 7.04879895
_cell_angle_alpha 105.51309762000001
_cell_angle_beta 104.48203936
_cell_angle_gamma 101.23646009
_space_g... | data_image0
_chemical_formula_structural Mg2V2P2O10Mg2V2P2O10Mg2V2P2O10Mg2V2P2O10Mg2V2P2O10Mg2V2P2O10
_chemical_formula_sum "Mg12 V12 P12 O60"
_cell_length_a 15.919977
_cell_length_b 10.9028631
_cell_length_c 7.04879895
_cell_angle_alpha 105.51309762000001
_cell_angle_beta 10... |
SuperCellAction | 7824ada5-e242-4e75-91ba-dc9526e02e7c | mp-5214 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... | data_image0
_chemical_formula_structural Ti4Te12O32Ti4Te12O32Ti4Te12O32Ti4Te12O32Ti4Te12O32Ti4Te12O32
_chemical_formula_sum "Ti24 Te72 O192"
_cell_length_a 9.53573741
_cell_length_b 19.0712887
_cell_length_c 28.60711554
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706... |
SuperCellAction | ea7ba312-1338-4319-a99b-84fc788d9f30 | mp-1189409 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Tb10Si6B2
_chemical_formula_sum "Tb10 Si6 B2"
_cell_length_a 8.59632043
_cell_length_b 8.59632043
_cell_length_c 6.377204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000334
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Tb10Si6B2Tb10Si6B2
_chemical_formula_sum "Tb20 Si12 B4"
_cell_length_a 17.19264086
_cell_length_b 8.59632043
_cell_length_c 6.377204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000334
_space_group_name_H-M_... |
SuperCellAction | 89dafeae-4f4d-4917-a027-83312996c1d0 | mp-1207606 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural YFe3B4O12
_chemical_formula_sum "Y1 Fe3 B4 O12"
_cell_length_a 6.12433214
_cell_length_b 6.124332140000001
_cell_length_c 6.12433292
_cell_angle_alpha 103.91920561999999
_cell_angle_beta 103.91920562
_cell_angle_gamma 103.91920774
... | data_image0
_chemical_formula_structural YFe3B4O12YFe3B4O12YFe3B4O12YFe3B4O12YFe3B4O12YFe3B4O12YFe3B4O12YFe3B4O12
_chemical_formula_sum "Y8 Fe24 B32 O96"
_cell_length_a 24.49732856
_cell_length_b 6.124332140000001
_cell_length_c 12.24866584
_cell_angle_alpha 103.91920561999999
_c... |
SuperCellAction | df729b95-598c-44bc-b5ed-727125db6c67 | mp-2228450 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O8MgMn3Cd2O8MgMn3Cd2O8MgMn3Cd2O8MgMn3Cd2O8MgMn3Cd2O8
_chemical_formula_sum "Mg6 Mn18 Cd12 O48"
_cell_length_a 5.33675026
_cell_length_b 18.69729687
_cell_length_c 11.70071828
_cell_angle_alpha 108.86450955000001
_cell_angle_beta ... |
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