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 | 8ea66e6e-1529-4bc7-9379-a1e2d2d7f013 | mp-861612 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16
_chemical_formula_sum "Cr12 Fe12 P24 O96"
_cell_length_a 17.545089
_cell_length_b 4.837312
_cell_length_c 19.930807
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
... |
SuperCellAction | 58d2997c-6af1-491d-b2a2-3c91aca78299 | mp-753290 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Fe6O2F10Fe6O2F10Fe6O2F10Fe6O2F10Fe6O2F10Fe6O2F10
_chemical_formula_sum "Fe36 O12 F60"
_cell_length_a 9.565248
_cell_length_b 17.3808
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | d2a7aa8f-c30c-4b3f-b88b-765671305c08 | mp-1521801 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural CaPrZrFeO6
_chemical_formula_sum "Ca1 Pr1 Zr1 Fe1 O6"
_cell_length_a 5.71570775
_cell_length_b 5.71570775
_cell_length_c 5.715707749999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural CaPrZrFeO6CaPrZrFeO6CaPrZrFeO6CaPrZrFeO6
_chemical_formula_sum "Ca4 Pr4 Zr4 Fe4 O24"
_cell_length_a 11.4314155
_cell_length_b 5.71570775
_cell_length_c 11.431415499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.9999999... |
SuperCellAction | d198a2b7-696b-4af2-9968-e915ad8829df | mp-1110828 | Create a supercell with the size 2×2×1. | 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 K2NaTaF6K2NaTaF6K2NaTaF6K2NaTaF6
_chemical_formula_sum "K8 Na4 Ta4 F24"
_cell_length_a 12.30229214
_cell_length_b 12.302292339999997
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_ang... |
SuperCellAction | 70d29291-fe85-4c3b-84d6-07962a408cf7 | mp-1193266 | Create a supercell with the size 4*1*2. | 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 8.14007427
_cell_length_c 17.696712120000004
_ce... |
SuperCellAction | e847e0f2-3dfb-478c-af03-430fe84dce63 | mp-1181370 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural K3LuB2P2O14
_chemical_formula_sum "K3 Lu1 B2 P2 O14"
_cell_length_a 13.03214535
_cell_length_b 13.032145350000002
_cell_length_c 13.03214554
_cell_angle_alpha 24.943610690000014
_cell_angle_beta 24.943610690000014
_cell_angle_gamma ... | data_image0
_chemical_formula_structural K3LuB2P2O14K3LuB2P2O14K3LuB2P2O14
_chemical_formula_sum "K9 Lu3 B6 P6 O42"
_cell_length_a 13.03214535
_cell_length_b 39.09643605000001
_cell_length_c 13.03214554
_cell_angle_alpha 24.943610690000014
_cell_angle_beta 24.943610690000014
... |
SuperCellAction | e708fde1-4a68-495a-bedd-c593a8271bd6 | mp-674329 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural La4Cd2Te8
_chemical_formula_sum "La4 Cd2 Te8"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_space_gr... | data_image0
_chemical_formula_structural La4Cd2Te8La4Cd2Te8La4Cd2Te8La4Cd2Te8La4Cd2Te8La4Cd2Te8La4Cd2Te8La4Cd2Te8
_chemical_formula_sum "La32 Cd16 Te64"
_cell_length_a 33.60886256
_cell_length_b 16.80443128
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta... |
SuperCellAction | 73bc95d0-63e5-4a05-93b8-30d0d10f2b2a | mp-1196042 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12
_chemical_formula_sum "Na32 H288 Pt16 N96 F96"
_cell_length_a 17.70369314
_cell_length_b 17.70369314
_cell_length_c 24.19... |
SuperCellAction | 0afca2ae-ca56-4f65-9534-6219f50e7db7 | mp-1174239 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8Co6O14Li8Co6O14Li8Co6O14Li8Co6O14Li8Co6O14Li8Co6O14
_chemical_formula_sum "Li48 Co36 O84"
_cell_length_a 5.085458
_cell_length_b 15.39426459
_cell_length_c 20.66784834
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell... |
SuperCellAction | 823910e7-ece7-4e99-81a2-3834bf6f4244 | mp-772833 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Y8Hf4O20
_chemical_formula_sum "Y8 Hf4 O20"
_cell_length_a 3.744459
_cell_length_b 10.754683
_cell_length_c 11.629666
_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 Y8Hf4O20Y8Hf4O20Y8Hf4O20Y8Hf4O20
_chemical_formula_sum "Y32 Hf16 O80"
_cell_length_a 7.488918
_cell_length_b 10.754683
_cell_length_c 23.259332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 8075648f-378e-4527-99dd-e578b353cc04 | mp-600078 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O36Si18O36Si18O36Si18O36Si18O36Si18O36Si18O36Si18O36
_chemical_formula_sum "Si144 O288"
_cell_length_a 21.778225
_cell_length_b 43.55645
_cell_length_c 87.1129
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.9331977200000... |
SuperCellAction | 0fa05c05-e6f2-4731-a2bf-90201c6c4733 | mp-1412166 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Li2CoNi3O8
_chemical_formula_sum "Li2 Co1 Ni3 O8"
_cell_length_a 5.626273
_cell_length_b 5.69161376
_cell_length_c 5.8720833599999995
_cell_angle_alpha 61.09426030000001
_cell_angle_beta 61.373563539999985
_cell_angle_gamma 61.52003... | data_image0
_chemical_formula_structural Li2CoNi3O8Li2CoNi3O8Li2CoNi3O8Li2CoNi3O8Li2CoNi3O8Li2CoNi3O8Li2CoNi3O8Li2CoNi3O8
_chemical_formula_sum "Li16 Co8 Ni24 O64"
_cell_length_a 5.626273
_cell_length_b 22.76645504
_cell_length_c 11.744166719999999
_cell_angle_alpha 61.0942603000... |
SuperCellAction | 3eab8077-de70-439c-ac56-725c1c26fa95 | mp-1033806 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_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 Mg14NbCO16Mg14NbCO16Mg14NbCO16Mg14NbCO16Mg14NbCO16Mg14NbCO16
_chemical_formula_sum "Mg84 Nb6 C6 O96"
_cell_length_a 17.15609434
_cell_length_b 8.57804717
_cell_length_c 12.913529220000001
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | f1173894-9699-41ca-8828-97d81ea9423c | mp-530449 | Create a supercell with the size 1 by 2 by 2. | 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 Ca21As14O56Ca21As14O56Ca21As14O56Ca21As14O56
_chemical_formula_sum "Ca84 As56 O224"
_cell_length_a 14.25577019
_cell_length_b 28.511540380000003
_cell_length_c 28.511539859999996
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.... |
SuperCellAction | 833af28b-950e-4afb-8c8e-20760b378ff9 | mp-1105910 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Pu2Zn17
_chemical_formula_sum "Pu2 Zn17"
_cell_length_a 6.73338651
_cell_length_b 6.730570040000001
_cell_length_c 6.7377318100000005
_cell_angle_alpha 82.71205549
_cell_angle_beta 82.65577715
_cell_angle_gamma 82.77235322
_space_g... | data_image0
_chemical_formula_structural Pu2Zn17Pu2Zn17Pu2Zn17Pu2Zn17Pu2Zn17Pu2Zn17Pu2Zn17Pu2Zn17
_chemical_formula_sum "Pu16 Zn136"
_cell_length_a 26.93354604
_cell_length_b 13.461140080000002
_cell_length_c 6.7377318100000005
_cell_angle_alpha 82.71205549
_cell_angle_beta 8... |
SuperCellAction | ed27a46b-0868-4303-8415-310b6f92961e | mp-2230615 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... | data_image0
_chemical_formula_structural MgCo5SnO12MgCo5SnO12MgCo5SnO12MgCo5SnO12
_chemical_formula_sum "Mg4 Co20 Sn4 O48"
_cell_length_a 10.3359645
_cell_length_b 5.06228585
_cell_length_c 20.10853536
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_ang... |
SuperCellAction | dce1edc3-8a9d-4c90-afe1-1108986241d4 | mp-1033806 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_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 Mg14NbCO16Mg14NbCO16Mg14NbCO16Mg14NbCO16Mg14NbCO16Mg14NbCO16
_chemical_formula_sum "Mg84 Nb6 C6 O96"
_cell_length_a 17.15609434
_cell_length_b 8.57804717
_cell_length_c 12.913529220000001
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | dfd5917a-e662-4f7f-ba8b-cf187f6d6ac6 | mp-1647971 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Li2V2P8H8O28
_chemical_formula_sum "Li2 V2 P8 H8 O28"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_space_gro... | data_image0
_chemical_formula_structural Li2V2P8H8O28Li2V2P8H8O28Li2V2P8H8O28Li2V2P8H8O28Li2V2P8H8O28Li2V2P8H8O28
_chemical_formula_sum "Li12 V12 P48 H48 O168"
_cell_length_a 21.962112089999998
_cell_length_b 19.4476567
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell... |
SuperCellAction | 3a6403ea-f083-4bd8-9a06-71b8fcc2f3c5 | mp-1177033 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Li12Mn6V2P12O48
_chemical_formula_sum "Li12 Mn6 V2 P12 O48"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
_space... | data_image0
_chemical_formula_structural Li12Mn6V2P12O48Li12Mn6V2P12O48Li12Mn6V2P12O48Li12Mn6V2P12O48Li12Mn6V2P12O48Li12Mn6V2P12O48Li12Mn6V2P12O48Li12Mn6V2P12O48
_chemical_formula_sum "Li96 Mn48 V16 P96 O384"
_cell_length_a 8.612399
_cell_length_b 17.446605
_cell_length_c 49.4835310... |
SuperCellAction | e3a3236c-6481-4847-b9ab-767300948663 | mp-1218545 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Sr4V2As4O18
_chemical_formula_sum "Sr4 V2 As4 O18"
_cell_length_a 9.10983086
_cell_length_b 9.10983086
_cell_length_c 7.01112922
_cell_angle_alpha 77.75906716
_cell_angle_beta 77.75906716
_cell_angle_gamma 130.5502388
_space_group_... | data_image0
_chemical_formula_structural Sr4V2As4O18Sr4V2As4O18Sr4V2As4O18Sr4V2As4O18Sr4V2As4O18Sr4V2As4O18Sr4V2As4O18Sr4V2As4O18
_chemical_formula_sum "Sr32 V16 As32 O144"
_cell_length_a 36.43932344
_cell_length_b 18.21966172
_cell_length_c 7.01112922
_cell_angle_alpha 77.759067... |
SuperCellAction | f63b3056-a74e-4251-9d89-c771fc79fab2 | mp-1099923 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural La7SmMn8O24
_chemical_formula_sum "La7 Sm1 Mn8 O24"
_cell_length_a 7.874413
_cell_length_b 7.874413
_cell_length_c 7.874413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural La7SmMn8O24La7SmMn8O24La7SmMn8O24La7SmMn8O24La7SmMn8O24La7SmMn8O24
_chemical_formula_sum "La42 Sm6 Mn48 O144"
_cell_length_a 23.623238999999998
_cell_length_b 7.874413
_cell_length_c 15.748826
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | d41ce0fc-5809-47b3-ae11-5b91053b5218 | mp-686371 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Na11La7Th2Ti20O60
_chemical_formula_sum "Na11 La7 Th2 Ti20 O60"
_cell_length_a 5.508181
_cell_length_b 5.50865732
_cell_length_c 38.84190001
_cell_angle_alpha 89.94154169000001
_cell_angle_beta 89.97806375
_cell_angle_gamma 89.79483... | data_image0
_chemical_formula_structural Na11La7Th2Ti20O60Na11La7Th2Ti20O60Na11La7Th2Ti20O60Na11La7Th2Ti20O60Na11La7Th2Ti20O60Na11La7Th2Ti20O60Na11La7Th2Ti20O60Na11La7Th2Ti20O60
_chemical_formula_sum "Na88 La56 Th16 Ti160 O480"
_cell_length_a 5.508181
_cell_length_b 22.03462928
_cell_leng... |
SuperCellAction | ccf07aa2-5ab5-4dba-ae7f-3c582cf64f04 | mp-2526683 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21W7O21W7O21W7O21W7O21W7O21
_chemical_formula_sum "W42 O126"
_cell_length_a 14.8033772
_cell_length_b 7.57954804
_cell_length_c 25.30508619
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma ... |
SuperCellAction | 3a128280-ad1e-4057-8d83-969589a61f28 | mp-557062 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80979322
_cell_length_b 3.80979259
_cell_length_c 62.26826173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000055
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Zn20S20Zn20S20Zn20S20Zn20S20Zn20S20Zn20S20Zn20S20Zn20S20
_chemical_formula_sum "Zn160 S160"
_cell_length_a 15.23917288
_cell_length_b 3.80979259
_cell_length_c 124.53652346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 53f63492-d36c-40a3-b8e9-17a2295b6250 | mp-1175687 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.880813
_cell_length_b 5.917467279999999
_cell_length_c 8.0958311
_cell_angle_alpha 90.34971058
_cell_angle_beta 90.97825040999999
_cell_angle_gamma 92.67047589
_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li18 Mn4 Co10 O32"
_cell_length_a 5.880813
_cell_length_b 11.834934559999999
_cell_length_c 8.0958311
_cell_angle_alpha 90.34971058
_cell_angle_beta 90.97825040999999
_cell_angle_gamma ... |
SuperCellAction | 2c798acb-1e68-4619-aed6-6c32c28b5fbf | mp-2218162 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... | data_image0
_chemical_formula_structural MgNbBi3O7MgNbBi3O7MgNbBi3O7MgNbBi3O7MgNbBi3O7MgNbBi3O7
_chemical_formula_sum "Mg6 Nb6 Bi18 O42"
_cell_length_a 7.38128692
_cell_length_b 10.931867400000002
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387
_cell_angle_beta 60.61... |
SuperCellAction | a98433fd-4045-4f64-9158-515bcb83c5b5 | mp-782632 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Ni8S16O64Li8Ni8S16O64Li8Ni8S16O64Li8Ni8S16O64Li8Ni8S16O64Li8Ni8S16O64
_chemical_formula_sum "Li48 Ni48 S96 O384"
_cell_length_a 27.240111000000002
_cell_length_b 18.441238
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_ce... |
SuperCellAction | f5f42366-19cd-4d69-8e8f-2baf1d2a74d0 | mp-1046973 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16Nb4Zn4Ni2O16Nb4Zn4Ni2O16Nb4Zn4Ni2O16
_chemical_formula_sum "Nb16 Zn16 Ni8 O64"
_cell_length_a 40.39839036
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_a... |
SuperCellAction | 82e33d7c-1aca-46ed-83a6-abf41895a93a | mp-31279 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Rb8P42I2
_chemical_formula_sum "Rb8 P42 I2"
_cell_length_a 12.96024821
_cell_length_b 12.960248209999998
_cell_length_c 9.86671281
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.32616321
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Rb8P42I2Rb8P42I2Rb8P42I2
_chemical_formula_sum "Rb24 P126 I6"
_cell_length_a 12.96024821
_cell_length_b 12.960248209999998
_cell_length_c 29.600138429999998
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.32616321... |
SuperCellAction | 4089ca7d-f848-49d7-8986-8e673da51acc | mp-1516887 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Eu2NiWO6Eu2NiWO6Eu2NiWO6Eu2NiWO6Eu2NiWO6Eu2NiWO6
_chemical_formula_sum "Eu12 Ni6 W6 O36"
_cell_length_a 16.92721767
_cell_length_b 11.28481178
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.9999999999... |
SuperCellAction | b3a2817b-b1f9-46ba-9085-413f3c8f0a50 | mp-1208858 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Sr4Dy2Bi2O12
_chemical_formula_sum "Sr4 Dy2 Bi2 O12"
_cell_length_a 5.93815296
_cell_length_b 6.100788
_cell_length_c 8.48832362
_cell_angle_alpha 90.0
_cell_angle_beta 89.94245077999999
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sr4Dy2Bi2O12Sr4Dy2Bi2O12
_chemical_formula_sum "Sr8 Dy4 Bi4 O24"
_cell_length_a 5.93815296
_cell_length_b 6.100788
_cell_length_c 16.97664724
_cell_angle_alpha 90.0
_cell_angle_beta 89.94245077999999
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 24f5338c-598e-487d-879f-ea40f0359e5c | mp-780241 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Na40Gd8O32
_chemical_formula_sum "Na40 Gd8 O32"
_cell_length_a 15.08398344
_cell_length_b 15.08398344
_cell_length_c 5.54635717
_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 Na40Gd8O32Na40Gd8O32Na40Gd8O32Na40Gd8O32Na40Gd8O32Na40Gd8O32
_chemical_formula_sum "Na240 Gd48 O192"
_cell_length_a 30.16796688
_cell_length_b 15.08398344
_cell_length_c 16.63907151
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 18bc4222-19d4-4a2a-8869-50dded1b43d7 | mp-1213837 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ce2Hf2F14Ce2Hf2F14Ce2Hf2F14Ce2Hf2F14Ce2Hf2F14Ce2Hf2F14Ce2Hf2F14Ce2Hf2F14
_chemical_formula_sum "Ce16 Hf16 F112"
_cell_length_a 11.65088434
_cell_length_b 12.47015992
_cell_length_c 16.87973896
_cell_angle_alpha 102.12410435
_cell_angle_bet... |
SuperCellAction | b5e20c86-1440-42b5-97dc-e39ffb4ee1d0 | mp-1189474 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Y14Rh6
_chemical_formula_sum "Y14 Rh6"
_cell_length_a 6.23865115
_cell_length_b 9.8140486
_cell_length_c 9.81488008
_cell_angle_alpha 120.00045369999998
_cell_angle_beta 90.00033233
_cell_angle_gamma 90.00091931000001
_space_group_... | data_image0
_chemical_formula_structural Y14Rh6Y14Rh6Y14Rh6Y14Rh6Y14Rh6Y14Rh6
_chemical_formula_sum "Y84 Rh36"
_cell_length_a 18.71595345
_cell_length_b 19.6280972
_cell_length_c 9.81488008
_cell_angle_alpha 120.00045369999998
_cell_angle_beta 90.00033233
_cell_angle_gamma ... |
SuperCellAction | 1bcb221e-f2ee-41e4-b4f4-750672c30058 | mp-1196849 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Fe6W20C6
_chemical_formula_sum "Fe6 W20 C6"
_cell_length_a 7.91346189
_cell_length_b 7.91346189
_cell_length_c 8.059961
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Fe6W20C6Fe6W20C6Fe6W20C6Fe6W20C6
_chemical_formula_sum "Fe24 W80 C24"
_cell_length_a 15.82692378
_cell_length_b 15.82692378
_cell_length_c 8.059961
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909999998
_... |
SuperCellAction | 44aac4b7-f001-4229-a86a-1e421b7dcb58 | mp-15804 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Yb4Mg2Se8
_chemical_formula_sum "Yb4 Mg2 Se8"
_cell_length_a 8.10794335
_cell_length_b 8.10794335
_cell_length_c 8.10794335
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Yb4Mg2Se8Yb4Mg2Se8Yb4Mg2Se8Yb4Mg2Se8Yb4Mg2Se8Yb4Mg2Se8Yb4Mg2Se8Yb4Mg2Se8
_chemical_formula_sum "Yb32 Mg16 Se64"
_cell_length_a 16.2158867
_cell_length_b 32.4317734
_cell_length_c 8.10794335
_cell_angle_alpha 59.99999999999999
_cell_angle_b... |
SuperCellAction | 42db161c-f6da-4fa6-94e3-3c6aea60300e | mp-756828 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.730811
_cell_length_b 5.72699204
_cell_length_c 7.87890331
_cell_angle_alpha 86.53429477
_cell_angle_beta 88.82132843999999
_cell_angle_gamma 88.81586131
_space_group_name_... | data_image0
_chemical_formula_structural Mn6O5F7Mn6O5F7Mn6O5F7Mn6O5F7Mn6O5F7Mn6O5F7
_chemical_formula_sum "Mn36 O30 F42"
_cell_length_a 14.192433000000001
_cell_length_b 11.45398408
_cell_length_c 7.87890331
_cell_angle_alpha 86.53429477
_cell_angle_beta 88.82132843999999
_ce... |
SuperCellAction | 7df977ad-81df-4b28-b65b-a6ef239bc2df | mp-23792 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18
_chemical_formula_sum "Na16 Ca32 Si48 H16 O144"
_cell_length_a 28.361264
_cell_length_b 7.11624034
_cell_length_c 16.17123716
_ce... |
SuperCellAction | 5febdb37-12c4-455c-b109-d09f99503927 | mp-757379 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural La9Mn9O30
_chemical_formula_sum "La9 Mn9 O30"
_cell_length_a 5.45732526
_cell_length_b 5.45531387
_cell_length_c 22.8585127
_cell_angle_alpha 96.96690671
_cell_angle_beta 89.49606072000002
_cell_angle_gamma 61.132153529999975
_spac... | data_image0
_chemical_formula_structural La9Mn9O30La9Mn9O30La9Mn9O30La9Mn9O30La9Mn9O30La9Mn9O30
_chemical_formula_sum "La54 Mn54 O180"
_cell_length_a 10.91465052
_cell_length_b 16.36594161
_cell_length_c 22.8585127
_cell_angle_alpha 96.96690671
_cell_angle_beta 89.49606072000... |
SuperCellAction | 42e20063-0493-46a4-b422-7dc8a55c5311 | mp-1290409 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
_spac... | data_image0
_chemical_formula_structural Li8Mn6Sb2O16Li8Mn6Sb2O16Li8Mn6Sb2O16Li8Mn6Sb2O16Li8Mn6Sb2O16Li8Mn6Sb2O16
_chemical_formula_sum "Li48 Mn36 Sb12 O96"
_cell_length_a 6.09914414
_cell_length_b 18.291651960000003
_cell_length_c 21.55440388
_cell_angle_alpha 90.38703345
_cell_... |
SuperCellAction | b110dc4f-6319-4f83-aeed-404221d8b113 | mp-770417 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24
_chemical_formula_sum "Li16 Mn8 V4 Ni12 P24 O96"
_cell_length_a 33.89819268
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_be... |
SuperCellAction | ed6fbc69-09e6-4651-8cf1-bdbfc2171f54 | mp-1074681 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... | data_image0
_chemical_formula_structural Mg8Si4Mg8Si4Mg8Si4Mg8Si4Mg8Si4Mg8Si4Mg8Si4Mg8Si4
_chemical_formula_sum "Mg64 Si32"
_cell_length_a 11.86472
_cell_length_b 23.86190392
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle... |
SuperCellAction | 50101eed-82ce-44bc-8478-05d97e2cc8d8 | mp-1175691 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li36 Mn8 Co20 O64"
_cell_length_a 10.15327
_cell_length_b 10.28746306
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.3087953499... |
SuperCellAction | 8de0df76-c119-41dd-b038-0273eff58e5b | mp-755078 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... | data_image0
_chemical_formula_structural Sr2Ti6N2O11Sr2Ti6N2O11Sr2Ti6N2O11Sr2Ti6N2O11Sr2Ti6N2O11Sr2Ti6N2O11Sr2Ti6N2O11Sr2Ti6N2O11
_chemical_formula_sum "Sr16 Ti48 N16 O88"
_cell_length_a 31.2159802
_cell_length_b 7.803995049999999
_cell_length_c 18.67268614
_cell_angle_alpha 80.9... |
SuperCellAction | b50b7211-3268-4cc4-81f9-4e28c367d3c0 | mp-1214285 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_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 Be8Si8Ag16O32Be8Si8Ag16O32Be8Si8Ag16O32
_chemical_formula_sum "Be24 Si24 Ag48 O96"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 43.21272
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 927f913e-40ac-4194-8139-2fcf8de9b297 | mp-754319 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3NbNi4O8Li3NbNi4O8Li3NbNi4O8Li3NbNi4O8
_chemical_formula_sum "Li12 Nb4 Ni16 O32"
_cell_length_a 11.936992
_cell_length_b 11.935803180000002
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
... |
SuperCellAction | dc0d5d71-00cc-4833-ad47-11914ad81a04 | mp-531566 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn14O48La16Mn14O48La16Mn14O48
_chemical_formula_sum "La48 Mn42 O144"
_cell_length_a 23.661957
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma... |
SuperCellAction | dde63b8b-bd11-479b-a1dd-0e8d55258f88 | mp-30215 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Pr12Mo4O28
_chemical_formula_sum "Pr12 Mo4 O28"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_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 Pr12Mo4O28Pr12Mo4O28Pr12Mo4O28Pr12Mo4O28
_chemical_formula_sum "Pr48 Mo16 O112"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 44.02230592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | c2b3d3a4-6795-4629-837a-4adaafc1a7fb | mp-1213761 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Cr4Ni8B4O20Cr4Ni8B4O20Cr4Ni8B4O20Cr4Ni8B4O20
_chemical_formula_sum "Cr16 Ni32 B16 O80"
_cell_length_a 6.063734
_cell_length_b 9.311684
_cell_length_c 24.481052
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | a9e54099-3e23-49bc-bd19-ff694baa183d | mp-1079648 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 U2Ge4Rh4U2Ge4Rh4
_chemical_formula_sum "U4 Ge8 Rh8"
_cell_length_a 4.204453
_cell_length_b 8.408906
_cell_length_c 10.180361
_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 | 86a6165a-30f4-47b0-b240-1670dbcfe627 | mp-1029069 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Mo2W2Se4S4
_chemical_formula_sum "Mo2 W2 Se4 S4"
_cell_length_a 3.25397747
_cell_length_b 3.25397747
_cell_length_c 36.880291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998924
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mo2W2Se4S4Mo2W2Se4S4Mo2W2Se4S4Mo2W2Se4S4Mo2W2Se4S4Mo2W2Se4S4Mo2W2Se4S4Mo2W2Se4S4
_chemical_formula_sum "Mo16 W16 Se32 S32"
_cell_length_a 3.25397747
_cell_length_b 6.50795494
_cell_length_c 147.521164
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | 64d280b6-b7a8-4975-aea7-0815f278060a | mp-1516907 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural KEuBiSbO6
_chemical_formula_sum "K1 Eu1 Bi1 Sb1 O6"
_cell_length_a 5.96919744
_cell_length_b 5.96919744
_cell_length_c 5.96919744
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.0000000000... | data_image0
_chemical_formula_structural KEuBiSbO6KEuBiSbO6KEuBiSbO6KEuBiSbO6KEuBiSbO6KEuBiSbO6
_chemical_formula_sum "K6 Eu6 Bi6 Sb6 O36"
_cell_length_a 17.90759232
_cell_length_b 5.96919744
_cell_length_c 11.93839488
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.9... |
SuperCellAction | a6697ca4-a374-470b-a323-227f1bcdae68 | mp-504385 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48Li12Fe8P12O48Li12Fe8P12O48Li12Fe8P12O48Li12Fe8P12O48Li12Fe8P12O48Li12Fe8P12O48Li12Fe8P12O48
_chemical_formula_sum "Li96 Fe64 P96 O384"
_cell_length_a 35.196168
_cell_length_b 8.471914
_cell_length_c 24.61234778
_cell_angle_alpha ... |
SuperCellAction | b76ede75-fa36-43d1-aa66-e066d39518fb | mp-778828 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.54121602
_cell_length_b 4.541216020000001
_cell_length_c 9.00405169
_cell_angle_alpha 89.64699227000001
_cell_angle_beta 89.64699227000001
_cell_angle_gamma 88.25421871
_... | data_image0
_chemical_formula_structural Mn6O10F2Mn6O10F2
_chemical_formula_sum "Mn12 O20 F4"
_cell_length_a 4.54121602
_cell_length_b 9.082432040000002
_cell_length_c 9.00405169
_cell_angle_alpha 89.64699227000001
_cell_angle_beta 89.64699227000001
_cell_angle_gamma 88.25... |
SuperCellAction | 8c085a39-7481-4fdd-93aa-b56548dbd98d | mp-1228941 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Al2Si6Ag2O16
_chemical_formula_sum "Al2 Si6 Ag2 O16"
_cell_length_a 7.279589
_cell_length_b 7.86335384
_cell_length_c 7.561559770000001
_cell_angle_alpha 115.16573898000001
_cell_angle_beta 100.59955147
_cell_angle_gamma 106.7870782... | data_image0
_chemical_formula_structural Al2Si6Ag2O16Al2Si6Ag2O16Al2Si6Ag2O16Al2Si6Ag2O16
_chemical_formula_sum "Al8 Si24 Ag8 O64"
_cell_length_a 7.279589
_cell_length_b 15.72670768
_cell_length_c 15.123119540000001
_cell_angle_alpha 115.16573898000001
_cell_angle_beta 100.59... |
SuperCellAction | 56231d93-ee3d-4232-8833-e8c6efd59c85 | mp-753838 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Li4Si4Ni4O14
_chemical_formula_sum "Li4 Si4 Ni4 O14"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_group_n... | data_image0
_chemical_formula_structural Li4Si4Ni4O14Li4Si4Ni4O14
_chemical_formula_sum "Li8 Si8 Ni8 O28"
_cell_length_a 5.073724
_cell_length_b 9.746360100000002
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_s... |
SuperCellAction | 656e8730-a260-4fb4-86d8-19bb3f7470eb | mp-1120783 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C30Al30C30Al30C30Al30C30Al30C30Al30C30
_chemical_formula_sum "Al180 C180"
_cell_length_a 29.969771
_cell_length_b 16.13286
_cell_length_c 24.319987079999997
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 408e6525-4ff0-4b36-9352-7bc097948b7d | mp-720430 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... | data_image0
_chemical_formula_structural Ca2B6H14O18Ca2B6H14O18Ca2B6H14O18Ca2B6H14O18
_chemical_formula_sum "Ca8 B24 H56 O72"
_cell_length_a 6.522119
_cell_length_b 26.69230608
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_ga... |
SuperCellAction | d55cd6d1-c163-46b8-8c2f-ccab39c46f09 | mp-850538 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60.15158... | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24Mn2Fe3SnP6O24
_chemical_formula_sum "Mn4 Fe6 Sn2 P12 O48"
_cell_length_a 8.67517235
_cell_length_b 17.3503447
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gam... |
SuperCellAction | 1806c530-ab7c-4eb4-b3f7-77e16d2d1b5d | mp-1212478 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural H12O8
_chemical_formula_sum "H12 O8"
_cell_length_a 4.34938881
_cell_length_b 6.333513859999999
_cell_length_c 6.33351386
_cell_angle_alpha 92.43761333
_cell_angle_beta 108.83358404
_cell_angle_gamma 108.83358404
_space_group_name_... | data_image0
_chemical_formula_structural H12O8H12O8H12O8H12O8
_chemical_formula_sum "H48 O32"
_cell_length_a 17.39755524
_cell_length_b 6.333513859999999
_cell_length_c 6.33351386
_cell_angle_alpha 92.43761333
_cell_angle_beta 108.83358404
_cell_angle_gamma 108.83358404
_... |
SuperCellAction | 63c36e30-ac92-43b5-a679-944af0204584 | mp-849612 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Li2Fe8B8O24
_chemical_formula_sum "Li2 Fe8 B8 O24"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702683000... | data_image0
_chemical_formula_structural Li2Fe8B8O24Li2Fe8B8O24Li2Fe8B8O24Li2Fe8B8O24Li2Fe8B8O24Li2Fe8B8O24
_chemical_formula_sum "Li12 Fe48 B48 O144"
_cell_length_a 10.515706
_cell_length_b 5.25818243
_cell_length_c 60.48682955999999
_cell_angle_alpha 89.95562184000002
_cell_ang... |
SuperCellAction | e1786b2b-ceee-4a30-af2b-851a09c5ced3 | mp-1239141 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16Ta2Cr6Cu4S16Ta2Cr6Cu4S16
_chemical_formula_sum "Ta6 Cr18 Cu12 S48"
_cell_length_a 36.585063000000005
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 85158275-19ca-4968-8c17-fd0b8a0c7c76 | mp-1193190 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18K4Cr6O18K4Cr6O18K4Cr6O18
_chemical_formula_sum "K16 Cr24 O72"
_cell_length_a 24.013804
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | ff5948e2-bb89-4e80-bbbb-9ab5f8be7b64 | mp-12885 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... | data_image0
_chemical_formula_structural BaAl2Sb2O7BaAl2Sb2O7BaAl2Sb2O7
_chemical_formula_sum "Ba3 Al6 Sb6 O21"
_cell_length_a 26.307331530000003
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098977
_cell... |
SuperCellAction | c86fefcb-81ae-49bc-869b-4bda71277a3c | mp-1073523 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 3.794989
_cell_length_b 6.05673
_cell_length_c 10.43074686
_cell_angle_alpha 77.46139383
_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 Mg4Si8Mg4Si8Mg4Si8Mg4Si8Mg4Si8Mg4Si8
_chemical_formula_sum "Mg24 Si48"
_cell_length_a 3.794989
_cell_length_b 12.11346
_cell_length_c 31.292240579999998
_cell_angle_alpha 77.46139383
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | 6f0b557b-d655-4fa4-9fe0-5b96758dfe7d | mp-1518567 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Sr4Tb4Eu4W4O24
_chemical_formula_sum "Sr4 Tb4 Eu4 W4 O24"
_cell_length_a 8.33102937
_cell_length_b 8.4305669
_cell_length_c 8.39115779
_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 Sr4Tb4Eu4W4O24Sr4Tb4Eu4W4O24Sr4Tb4Eu4W4O24Sr4Tb4Eu4W4O24Sr4Tb4Eu4W4O24Sr4Tb4Eu4W4O24
_chemical_formula_sum "Sr24 Tb24 Eu24 W24 O144"
_cell_length_a 24.99308811
_cell_length_b 16.8611338
_cell_length_c 8.39115779
_cell_angle_alpha 90.0
_cel... |
SuperCellAction | 68a8b173-b6fd-4cec-93ce-4651e53b3f33 | mp-755794 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Rb6Lu2O6
_chemical_formula_sum "Rb6 Lu2 O6"
_cell_length_a 7.14217626
_cell_length_b 7.14217626
_cell_length_c 7.11319529
_cell_angle_alpha 84.73786824
_cell_angle_beta 84.73786824
_cell_angle_gamma 115.62216469
_space_group_name_H... | data_image0
_chemical_formula_structural Rb6Lu2O6Rb6Lu2O6Rb6Lu2O6Rb6Lu2O6Rb6Lu2O6Rb6Lu2O6
_chemical_formula_sum "Rb36 Lu12 O36"
_cell_length_a 21.42652878
_cell_length_b 7.14217626
_cell_length_c 14.22639058
_cell_angle_alpha 84.73786824
_cell_angle_beta 84.73786824
_cell_ang... |
SuperCellAction | ff28baf3-7858-4bf7-b202-be4b364b0997 | mp-1176342 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na6V6O16Na6V6O16Na6V6O16Na6V6O16
_chemical_formula_sum "Na24 V24 O64"
_cell_length_a 5.62345902
_cell_length_b 17.79142564
_cell_length_c 17.79908096
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.5728... |
SuperCellAction | cbf242de-c02c-46e5-abcf-c51e3504b2aa | mp-695906 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Rb4Sm4H32S8O48
_chemical_formula_sum "Rb4 Sm4 H32 S8 O48"
_cell_length_a 19.144285
_cell_length_b 6.707746
_cell_length_c 8.65922892
_cell_angle_alpha 84.18823872
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb4Sm4H32S8O48Rb4Sm4H32S8O48Rb4Sm4H32S8O48Rb4Sm4H32S8O48Rb4Sm4H32S8O48Rb4Sm4H32S8O48Rb4Sm4H32S8O48Rb4Sm4H32S8O48
_chemical_formula_sum "Rb32 Sm32 H256 S64 O384"
_cell_length_a 38.28857
_cell_length_b 6.707746
_cell_length_c 34.63691568
_cell_... |
SuperCellAction | 0ef03f96-1114-433e-8cb4-42212e936dd8 | mp-18292 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La8Mn2S12O2La8Mn2S12O2La8Mn2S12O2La8Mn2S12O2La8Mn2S12O2La8Mn2S12O2La8Mn2S12O2La8Mn2S12O2
_chemical_formula_sum "La64 Mn16 S96 O16"
_cell_length_a 19.0161092
_cell_length_b 9.5080546
_cell_length_c 27.463764
_cell_angle_alpha 90.0
_cell_ang... |
SuperCellAction | eb7138f1-8566-4347-ba70-72f9dfbdd98f | mp-1218391 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Sr2Ca2Ti2Mn2O12
_chemical_formula_sum "Sr2 Ca2 Ti2 Mn2 O12"
_cell_length_a 5.453876
_cell_length_b 5.46815873
_cell_length_c 7.70356346
_cell_angle_alpha 90.04949166000002
_cell_angle_beta 89.99945912
_cell_angle_gamma 89.99989522
... | data_image0
_chemical_formula_structural Sr2Ca2Ti2Mn2O12Sr2Ca2Ti2Mn2O12Sr2Ca2Ti2Mn2O12Sr2Ca2Ti2Mn2O12Sr2Ca2Ti2Mn2O12Sr2Ca2Ti2Mn2O12
_chemical_formula_sum "Sr12 Ca12 Ti12 Mn12 O72"
_cell_length_a 16.361628
_cell_length_b 10.93631746
_cell_length_c 7.70356346
_cell_angle_alpha 90.0... |
SuperCellAction | c7b4bf18-bf8a-4703-861d-f84c88a7db34 | mp-1204213 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S14O60Tb4Nb4S14O60Tb4Nb4S14O60
_chemical_formula_sum "Tb12 Nb12 S42 O180"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 21.467418000000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | 47f88f52-30b4-4c78-80e1-28689ab38355 | mp-22071 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Sb8O16
_chemical_formula_sum "Sb8 O16"
_cell_length_a 7.44343731
_cell_length_b 7.44343731
_cell_length_c 7.44343731
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Sb8O16Sb8O16
_chemical_formula_sum "Sb16 O32"
_cell_length_a 14.88687462
_cell_length_b 7.44343731
_cell_length_c 7.44343731
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
SuperCellAction | 1690fac7-79f5-422b-ac2a-6f4626e0cafa | mp-979041 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Tm2Al6C6
_chemical_formula_sum "Tm2 Al6 C6"
_cell_length_a 3.39557985
_cell_length_b 3.39557967
_cell_length_c 17.11257072
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000185
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Tm2Al6C6Tm2Al6C6Tm2Al6C6Tm2Al6C6Tm2Al6C6Tm2Al6C6
_chemical_formula_sum "Tm12 Al36 C36"
_cell_length_a 6.7911597
_cell_length_b 10.18673901
_cell_length_c 17.11257072
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120... |
SuperCellAction | 4b9c24f3-9064-4a7b-b353-b2aaed74dacd | mp-1194067 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2Na2Ni2H8S2O12F2Na2Ni2H8S2O12F2Na2Ni2H8S2O12F2Na2Ni2H8S2O12F2Na2Ni2H8S2O12F2Na2Ni2H8S2O12F2Na2Ni2H8S2O12F2
_chemical_formula_sum "Na16 Ni16 H64 S16 O96 F16"
_cell_length_a 23.03552976
_cell_length_b 7.31461048
_cell_length_c 14.... |
SuperCellAction | 25681c66-e127-4a8c-9272-b71df879ffe0 | mp-1111088 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF6Na2AlAuF6Na2AlAuF6Na2AlAuF6Na2AlAuF6Na2AlAuF6Na2AlAuF6Na2AlAuF6
_chemical_formula_sum "Na16 Al8 Au8 F48"
_cell_length_a 24.04134772
_cell_length_b 6.01033693
_cell_length_c 12.02067386
_cell_angle_alpha 59.999999999999986
_cell_an... |
SuperCellAction | f30a96db-6409-492b-ae87-d12e84ee8ac8 | mp-1105449 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12Sm2Tl2P4Se12Sm2Tl2P4Se12
_chemical_formula_sum "Sm6 Tl6 P12 Se36"
_cell_length_a 7.755927
_cell_length_b 20.735993999999998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 08b406f9-b4f7-4b7f-9249-cc637563f5c8 | mp-2749603 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 6.82112342
_cell_length_b 7.56358558
_cell_length_c 11.29010398
_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 Rb8Eu4F20Rb8Eu4F20
_chemical_formula_sum "Rb16 Eu8 F40"
_cell_length_a 6.82112342
_cell_length_b 15.12717116
_cell_length_c 11.29010398
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 423d1196-6c09-4e29-8edd-e5eb33344474 | mp-568761 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Ag16Te16
_chemical_formula_sum "Ag16 Te16"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_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 Ag16Te16Ag16Te16Ag16Te16Ag16Te16
_chemical_formula_sum "Ag64 Te64"
_cell_length_a 19.13425228
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SuperCellAction | 73d6b1de-b02a-4290-9819-2c0de4bc9a4e | mp-1228061 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba4Cu2IBrO4Ba4Cu2IBrO4Ba4Cu2IBrO4Ba4Cu2IBrO4Ba4Cu2IBrO4Ba4Cu2IBrO4
_chemical_formula_sum "Ba24 Cu12 I6 Br6 O24"
_cell_length_a 8.775196
_cell_length_b 22.793184
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_bet... |
SuperCellAction | e6371422-b03b-45d3-8fa6-75d763717f43 | mp-1376216 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg4V8O16Mg4V8O16Mg4V8O16Mg4V8O16Mg4V8O16Mg4V8O16
_chemical_formula_sum "Mg24 V48 O96"
_cell_length_a 5.928768
_cell_length_b 27.508662
_cell_length_c 10.559834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | 6a73453e-d35b-4df5-8a99-ba013fa78ff3 | mp-1213188 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Cu2AgHS2O10
_chemical_formula_sum "Cu2 Ag1 H1 S2 O10"
_cell_length_a 5.32762167
_cell_length_b 5.32762167
_cell_length_c 8.06640392
_cell_angle_alpha 65.8263376
_cell_angle_beta 65.8263376
_cell_angle_gamma 70.17280704
_space_group... | data_image0
_chemical_formula_structural Cu2AgHS2O10Cu2AgHS2O10Cu2AgHS2O10Cu2AgHS2O10
_chemical_formula_sum "Cu8 Ag4 H4 S8 O40"
_cell_length_a 5.32762167
_cell_length_b 21.31048668
_cell_length_c 8.06640392
_cell_angle_alpha 65.8263376
_cell_angle_beta 65.8263376
_cell_angle_... |
SuperCellAction | 534caf3e-e24c-48ec-acb1-d667b37b2dd9 | mp-674343 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... | data_image0
_chemical_formula_structural Ti10Cu7S20Ti10Cu7S20Ti10Cu7S20Ti10Cu7S20Ti10Cu7S20Ti10Cu7S20Ti10Cu7S20Ti10Cu7S20
_chemical_formula_sum "Ti80 Cu56 S160"
_cell_length_a 13.3310421
_cell_length_b 6.66552105
_cell_length_c 118.59441887999999
_cell_angle_alpha 81.874479039999... |
SuperCellAction | 3dec4280-8ceb-49e7-adb1-360681f61b11 | mp-740718 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24
_chemical_formula_sum "Al48 H288 N96 Cl144"
_cell_length_a 13.173676
_cell_length_b 11.505036
_cell_length_c 54.98040900000001
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | 17721389-9777-4a6c-9306-5c8122874ecb | mp-1194795 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Ba28Ge4B12Br4O52
_chemical_formula_sum "Ba28 Ge4 B12 Br4 O52"
_cell_length_a 7.56704942
_cell_length_b 11.3320778
_cell_length_c 20.66018911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba28Ge4B12Br4O52Ba28Ge4B12Br4O52Ba28Ge4B12Br4O52Ba28Ge4B12Br4O52Ba28Ge4B12Br4O52Ba28Ge4B12Br4O52Ba28Ge4B12Br4O52Ba28Ge4B12Br4O52
_chemical_formula_sum "Ba224 Ge32 B96 Br32 O416"
_cell_length_a 15.13409884
_cell_length_b 11.3320778
_cell_length_c ... |
SuperCellAction | 9d2750fa-2673-4189-983d-1b63b05774cb | mp-1349418 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 Mg4Mo12O28Mg4Mo12O28Mg4Mo12O28Mg4Mo12O28
_chemical_formula_sum "Mg16 Mo48 O112"
_cell_length_a 5.765112
_cell_length_b 19.905418
_cell_length_c 22.060842
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 2857000e-c216-45f6-92ca-596231ce218b | mp-629560 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Fe6C18Se4O18
_chemical_formula_sum "Fe6 C18 Se4 O18"
_cell_length_a 6.83787
_cell_length_b 9.24919726
_cell_length_c 13.13652296
_cell_angle_alpha 94.02188344
_cell_angle_beta 94.43545899
_cell_angle_gamma 111.00583358
_space_group... | data_image0
_chemical_formula_structural Fe6C18Se4O18Fe6C18Se4O18
_chemical_formula_sum "Fe12 C36 Se8 O36"
_cell_length_a 6.83787
_cell_length_b 18.49839452
_cell_length_c 13.13652296
_cell_angle_alpha 94.02188344
_cell_angle_beta 94.43545899
_cell_angle_gamma 111.00583358... |
SuperCellAction | fb0f3300-f260-4bb4-9afe-37fd36792dca | mp-1214888 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O12AlZn2SbH12O12AlZn2SbH12O12
_chemical_formula_sum "Al3 Zn6 Sb3 H36 O36"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 29.703918
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000003... |
SuperCellAction | b8b87275-9ff5-4880-96ad-1558097adf5b | mp-9619 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12ThFe4P12ThFe4P12ThFe4P12
_chemical_formula_sum "Th4 Fe16 P48"
_cell_length_a 13.46298474
_cell_length_b 13.46298174
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109... |
SuperCellAction | 54c381b5-becc-4bb9-901a-983209dd0ff4 | mp-1074916 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Mg14Si8
_chemical_formula_sum "Mg14 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space_group... | data_image0
_chemical_formula_structural Mg14Si8Mg14Si8Mg14Si8Mg14Si8Mg14Si8Mg14Si8
_chemical_formula_sum "Mg84 Si48"
_cell_length_a 4.510152
_cell_length_b 18.56342781
_cell_length_c 30.98996086
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_ang... |
SuperCellAction | 39f8b79f-97b5-4688-b73f-29c525aa5db0 | mp-1217186 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12Ti3Sn5S12Ti3Sn5S12Ti3Sn5S12Ti3Sn5S12Ti3Sn5S12Ti3Sn5S12Ti3Sn5S12
_chemical_formula_sum "Ti24 Sn40 S96"
_cell_length_a 7.23872102
_cell_length_b 9.1720841
_cell_length_c 55.26248032
_cell_angle_alpha 89.56937859
_cell_angle_beta ... |
SuperCellAction | 2439d791-ca0c-4b37-8d6b-b78dd3c6aa16 | mp-1197379 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... | data_image0
_chemical_formula_structural Y2N6O28Y2N6O28Y2N6O28
_chemical_formula_sum "Y6 N18 O84"
_cell_length_a 19.332207
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_sp... |
SuperCellAction | 34e3cce2-e5ca-486d-8ba5-b0d707d04c3e | mp-699431 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16
_chemical_formula_sum "Al8 H32 Se16 O64"
_cell_length_a 26.561088
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 5f4c5180-6ebd-497f-9740-63518701cc00 | mp-1209429 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Pr3Si6Pd20
_chemical_formula_sum "Pr3 Si6 Pd20"
_cell_length_a 8.72600808
_cell_length_b 8.72600943
_cell_length_c 8.72601473
_cell_angle_alpha 59.99971905
_cell_angle_beta 59.99996874
_cell_angle_gamma 59.99978113
_space_group_nam... | data_image0
_chemical_formula_structural Pr3Si6Pd20Pr3Si6Pd20Pr3Si6Pd20Pr3Si6Pd20Pr3Si6Pd20Pr3Si6Pd20
_chemical_formula_sum "Pr18 Si36 Pd120"
_cell_length_a 26.17802424
_cell_length_b 17.45201886
_cell_length_c 8.72601473
_cell_angle_alpha 59.99971905
_cell_angle_beta 59.9999... |
SuperCellAction | 1a1ae2f7-fe53-4ca3-a346-c9d18ef2466b | mp-756138 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... | data_image0
_chemical_formula_structural Li4V6Sb2O16Li4V6Sb2O16
_chemical_formula_sum "Li8 V12 Sb4 O32"
_cell_length_a 6.03905252
_cell_length_b 21.4260118
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_... |
SuperCellAction | bf1ff625-70d6-4182-953a-46f9080f8549 | mp-1220625 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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 Nd4Si7Nd4Si7Nd4Si7
_chemical_formula_sum "Nd12 Si21"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 47.450142
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SuperCellAction | 7c47b350-312a-4427-b6c0-c6d819f79f8c | mp-1219608 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural RbLaTiNbO6F
_chemical_formula_sum "Rb1 La1 Ti1 Nb1 O6 F1"
_cell_length_a 3.872434
_cell_length_b 3.915958
_cell_length_c 11.289405
_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 RbLaTiNbO6FRbLaTiNbO6FRbLaTiNbO6FRbLaTiNbO6FRbLaTiNbO6FRbLaTiNbO6FRbLaTiNbO6FRbLaTiNbO6F
_chemical_formula_sum "Rb8 La8 Ti8 Nb8 O48 F8"
_cell_length_a 3.872434
_cell_length_b 7.831916
_cell_length_c 45.15762
_cell_angle_alpha 90.0
_cell_an... |
SuperCellAction | dd9cd076-4ae6-4c36-b46b-72b64c10e261 | mp-24598 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40
_chemical_formula_sum "Ba16 V16 P32 H64 O160"
_cell_length_a 12.987432
_cell_length_b 21.970438
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | f05c98af-6f9f-433e-8b32-56958fab551c | mp-680754 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Ca10Cu2Pb6
_chemical_formula_sum "Ca10 Cu2 Pb6"
_cell_length_a 9.62567022
_cell_length_b 9.62567022
_cell_length_c 6.774716
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000149999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca10Cu2Pb6Ca10Cu2Pb6
_chemical_formula_sum "Ca20 Cu4 Pb12"
_cell_length_a 9.62567022
_cell_length_b 9.62567022
_cell_length_c 13.549432
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000149999998
_space_group_... |
SuperCellAction | c98fcee8-9a20-4688-bd42-359eaa5d0a9d | mp-753268 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Li6CuF8
_chemical_formula_sum "Li6 Cu1 F8"
_cell_length_a 5.83628149
_cell_length_b 5.836281490000001
_cell_length_c 5.98314077
_cell_angle_alpha 62.57039479000001
_cell_angle_beta 62.570394789999995
_cell_angle_gamma 58.72180139
_... | data_image0
_chemical_formula_structural Li6CuF8Li6CuF8Li6CuF8Li6CuF8
_chemical_formula_sum "Li24 Cu4 F32"
_cell_length_a 5.83628149
_cell_length_b 5.836281490000001
_cell_length_c 23.93256308
_cell_angle_alpha 62.57039479000001
_cell_angle_beta 62.570394789999995
_cell_angle... |
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