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 | 9490d44c-43ca-4f7b-987e-ecc698bb0b0b | mp-557992 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural In4Te4Cl4O12In4Te4Cl4O12In4Te4Cl4O12
_chemical_formula_sum "In12 Te12 Cl12 O36"
_cell_length_a 7.031733
_cell_length_b 21.588009
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 6ec9f6ec-d09f-430b-86ba-17ef98165124 | mp-758446 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Li4V8C8O32
_chemical_formula_sum "Li4 V8 C8 O32"
_cell_length_a 9.469308
_cell_length_b 6.287829
_cell_length_c 11.24251521
_cell_angle_alpha 56.8776801
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Li4V8C8O32Li4V8C8O32
_chemical_formula_sum "Li8 V16 C16 O64"
_cell_length_a 18.938616
_cell_length_b 6.287829
_cell_length_c 11.24251521
_cell_angle_alpha 56.8776801
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | 858fc80a-8104-45cc-b337-63ee034169e1 | mp-1236280 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural LiCd4Tc4O12
_chemical_formula_sum "Li1 Cd4 Tc4 O12"
_cell_length_a 5.52414711
_cell_length_b 5.608893130000001
_cell_length_c 7.94369997
_cell_angle_alpha 91.11645933999999
_cell_angle_beta 87.9547835
_cell_angle_gamma 89.9784879199... | data_image0
_chemical_formula_structural LiCd4Tc4O12LiCd4Tc4O12LiCd4Tc4O12LiCd4Tc4O12LiCd4Tc4O12LiCd4Tc4O12LiCd4Tc4O12LiCd4Tc4O12
_chemical_formula_sum "Li8 Cd32 Tc32 O96"
_cell_length_a 22.09658844
_cell_length_b 5.608893130000001
_cell_length_c 15.88739994
_cell_angle_alpha 91.... |
SuperCellAction | 85185167-afc3-4add-be58-4b4927b3f360 | mp-1040917 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Ca4Fe8P8O32
_chemical_formula_sum "Ca4 Fe8 P8 O32"
_cell_length_a 9.10227172
_cell_length_b 9.10227172
_cell_length_c 16.95686224
_cell_angle_alpha 63.17755244
_cell_angle_beta 63.17755244
_cell_angle_gamma 32.23924191999999
_space... | data_image0
_chemical_formula_structural Ca4Fe8P8O32Ca4Fe8P8O32Ca4Fe8P8O32
_chemical_formula_sum "Ca12 Fe24 P24 O96"
_cell_length_a 9.10227172
_cell_length_b 9.10227172
_cell_length_c 50.87058672
_cell_angle_alpha 63.17755244
_cell_angle_beta 63.17755244
_cell_angle_gamma ... |
SuperCellAction | 2570dedb-9ac2-4376-b6c1-bc241bc4c7f9 | mp-1180897 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural K2PdN2Cl2O4
_chemical_formula_sum "K2 Pd1 N2 Cl2 O4"
_cell_length_a 4.732359
_cell_length_b 7.05971384
_cell_length_c 7.877666200000001
_cell_angle_alpha 67.3422171
_cell_angle_beta 75.08665789
_cell_angle_gamma 81.19090223
_space_... | data_image0
_chemical_formula_structural K2PdN2Cl2O4K2PdN2Cl2O4
_chemical_formula_sum "K4 Pd2 N4 Cl4 O8"
_cell_length_a 4.732359
_cell_length_b 7.05971384
_cell_length_c 15.755332400000002
_cell_angle_alpha 67.3422171
_cell_angle_beta 75.08665789
_cell_angle_gamma 81.19090... |
SuperCellAction | a5adb661-6de1-4982-b23f-21583b537937 | mp-1290409 | Create a supercell with the size 3×2×1. | 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 18.29743242
_cell_length_b 12.19443464
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_... |
SuperCellAction | 065548c3-b189-4f8f-ac8c-cee157c0a655 | mp-1208402 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural U2Pb2I12
_chemical_formula_sum "U2 Pb2 I12"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888295969... | data_image0
_chemical_formula_structural U2Pb2I12U2Pb2I12
_chemical_formula_sum "U4 Pb4 I24"
_cell_length_a 15.25740472
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.... |
SuperCellAction | c8c589ab-cd69-47af-86fb-22fc18fb15c8 | mp-636946 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Fe12Ge10
_chemical_formula_sum "Fe12 Ge10"
_cell_length_a 6.30166754
_cell_length_b 6.30166754
_cell_length_c 7.797893349999999
_cell_angle_alpha 74.68624363
_cell_angle_beta 74.68624363
_cell_angle_gamma 76.65132412
_space_group_n... | data_image0
_chemical_formula_structural Fe12Ge10Fe12Ge10Fe12Ge10Fe12Ge10Fe12Ge10Fe12Ge10Fe12Ge10Fe12Ge10
_chemical_formula_sum "Fe96 Ge80"
_cell_length_a 12.60333508
_cell_length_b 6.30166754
_cell_length_c 31.191573399999996
_cell_angle_alpha 74.68624363
_cell_angle_beta 74... |
SuperCellAction | 7dd2724c-7e3b-4c63-b1ad-9db1d0682a4d | mp-1188515 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Ca4In2Os2O12
_chemical_formula_sum "Ca4 In2 Os2 O12"
_cell_length_a 5.543428
_cell_length_b 5.75755
_cell_length_c 9.64876458
_cell_angle_alpha 90.0
_cell_angle_beta 124.4938725
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4In2Os2O12Ca4In2Os2O12Ca4In2Os2O12Ca4In2Os2O12Ca4In2Os2O12Ca4In2Os2O12
_chemical_formula_sum "Ca24 In12 Os12 O72"
_cell_length_a 11.086856
_cell_length_b 5.75755
_cell_length_c 28.94629374
_cell_angle_alpha 90.0
_cell_angle_beta 124.... |
SuperCellAction | 615ead5b-d5ee-4adc-9885-2c3d3e6f3cdc | mp-1232328 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Cu3Sb4O6F6
_chemical_formula_sum "Cu3 Sb4 O6 F6"
_cell_length_a 7.0716257
_cell_length_b 7.0716257
_cell_length_c 7.0716257
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Cu3Sb4O6F6Cu3Sb4O6F6Cu3Sb4O6F6Cu3Sb4O6F6
_chemical_formula_sum "Cu12 Sb16 O24 F24"
_cell_length_a 7.0716257
_cell_length_b 14.1432514
_cell_length_c 14.1432514
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_ga... |
SuperCellAction | 985d83ca-54eb-4b7e-9983-8b1af56a9552 | mp-1225817 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Dy2Fe4Co4B2
_chemical_formula_sum "Dy2 Fe4 Co4 B2"
_cell_length_a 5.06930308
_cell_length_b 5.04179819
_cell_length_c 6.84308372
_cell_angle_alpha 89.99078127
_cell_angle_beta 90.04833519999998
_cell_angle_gamma 119.85780878999999
... | data_image0
_chemical_formula_structural Dy2Fe4Co4B2Dy2Fe4Co4B2Dy2Fe4Co4B2Dy2Fe4Co4B2Dy2Fe4Co4B2Dy2Fe4Co4B2Dy2Fe4Co4B2Dy2Fe4Co4B2
_chemical_formula_sum "Dy16 Fe32 Co32 B16"
_cell_length_a 10.13860616
_cell_length_b 10.08359638
_cell_length_c 13.68616744
_cell_angle_alpha 89.99078... |
SuperCellAction | 7230e90a-0005-4636-8361-835436af8694 | mp-4647 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural K3Cu8Se6
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... | data_image0
_chemical_formula_structural K3Cu8Se6K3Cu8Se6K3Cu8Se6K3Cu8Se6
_chemical_formula_sum "K12 Cu32 Se24"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 40.4925294
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949... |
SuperCellAction | 5db8e77c-87a4-48ff-8848-6d24ea6abb80 | mp-1026788 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMg14GaLaMg14Ga
_chemical_formula_sum "La2 Mg28 Ga2"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 20.7505238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_a... |
SuperCellAction | b9f66dd2-b42f-4049-8153-adbf4e33f2b4 | mp-1106174 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Tb14Rh6
_chemical_formula_sum "Tb14 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095888
_sp... | data_image0
_chemical_formula_structural Tb14Rh6Tb14Rh6
_chemical_formula_sum "Tb28 Rh12"
_cell_length_a 12.39532102
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.0009... |
SuperCellAction | e67a02c0-f09e-4f39-a8b3-8bf32c5b644f | mp-666156 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Na4Te8O18
_chemical_formula_sum "Na4 Te8 O18"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_space_grou... | data_image0
_chemical_formula_structural Na4Te8O18Na4Te8O18Na4Te8O18
_chemical_formula_sum "Na12 Te24 O54"
_cell_length_a 7.007354
_cell_length_b 22.484663549999997
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma ... |
SuperCellAction | 00a25a51-1316-4e84-9b66-71e9be046996 | mp-1220577 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Nd3GdZr4O14
_chemical_formula_sum "Nd3 Gd1 Zr4 O14"
_cell_length_a 7.53064465
_cell_length_b 7.53064465
_cell_length_c 7.53064416
_cell_angle_alpha 59.75301876
_cell_angle_beta 59.75301876
_cell_angle_gamma 59.7530154
_space_group_... | data_image0
_chemical_formula_structural Nd3GdZr4O14Nd3GdZr4O14Nd3GdZr4O14Nd3GdZr4O14Nd3GdZr4O14Nd3GdZr4O14
_chemical_formula_sum "Nd18 Gd6 Zr24 O84"
_cell_length_a 7.53064465
_cell_length_b 15.0612893
_cell_length_c 22.591932479999997
_cell_angle_alpha 59.75301875999999
_cell_an... |
SuperCellAction | 60f3b306-c26c-42be-adc6-697c94bfe3fb | mp-1102378 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Nd4Re8
_chemical_formula_sum "Nd4 Re8"
_cell_length_a 5.50780632
_cell_length_b 5.50780632
_cell_length_c 8.90484191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001918
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Nd4Re8Nd4Re8Nd4Re8Nd4Re8Nd4Re8Nd4Re8Nd4Re8Nd4Re8
_chemical_formula_sum "Nd32 Re64"
_cell_length_a 11.01561264
_cell_length_b 22.03122528
_cell_length_c 8.90484191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00... |
SuperCellAction | dd5f5e93-dcff-4f7d-8be3-98b8972128bb | mp-1214455 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Ba4Fe8Si8O28
_chemical_formula_sum "Ba4 Fe8 Si8 O28"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba4Fe8Si8O28Ba4Fe8Si8O28Ba4Fe8Si8O28
_chemical_formula_sum "Ba12 Fe24 Si24 O84"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 22.82162325
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 1767b453-44c5-4d2e-9998-a3babc2ff34e | mp-1245786 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural In12Ga8N16
_chemical_formula_sum "In12 Ga8 N16"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_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 In12Ga8N16In12Ga8N16In12Ga8N16In12Ga8N16
_chemical_formula_sum "In48 Ga32 N64"
_cell_length_a 6.338033
_cell_length_b 42.799732
_cell_length_c 8.523877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | 3f947a51-548e-461c-a756-9f51a8baf981 | mp-772276 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Cr4P4O20
_chemical_formula_sum "Cr4 P4 O20"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059046
_... | data_image0
_chemical_formula_structural Cr4P4O20Cr4P4O20Cr4P4O20
_chemical_formula_sum "Cr12 P12 O60"
_cell_length_a 5.180952
_cell_length_b 25.160335680000003
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_ang... |
SuperCellAction | c72f27d5-b228-41e0-bc35-ec07f88a2950 | mp-1214285 | Create a supercell with the size 1 by 2 by 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 Be8Si8Ag16O32Be8Si8Ag16O32Be8Si8Ag16O32Be8Si8Ag16O32Be8Si8Ag16O32Be8Si8Ag16O32
_chemical_formula_sum "Be48 Si48 Ag96 O192"
_cell_length_a 5.043717
_cell_length_b 20.29935
_cell_length_c 43.21272
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 0806ef5c-cd0e-4175-abb3-7fc05f7bdeb8 | mp-615141 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pb2Cl4O8Pb2Cl4O8Pb2Cl4O8
_chemical_formula_sum "Pb6 Cl12 O24"
_cell_length_a 21.46338825
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_g... |
SuperCellAction | bd86c1f5-5f93-472b-9251-3bf23dc796eb | mp-1346690 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14
_chemical_formula_sum "Mg16 Sn16 P32 O112"
_cell_length_a 13.45194
_cell_length_b 7.04770682
_cell_length_c 28.5132454
_cell_angle_alpha 75.45766706
_... |
SuperCellAction | c385da0e-22ee-46b6-bc1c-d9e69d042df0 | mp-755554 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Fe2F8Li2Fe2F8Li2Fe2F8Li2Fe2F8
_chemical_formula_sum "Li8 Fe8 F32"
_cell_length_a 9.17971494
_cell_length_b 11.073006
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | a313f349-6825-4512-982a-a84d3dc3c0c0 | mp-555706 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Li4Al4Si4H8O20
_chemical_formula_sum "Li4 Al4 Si4 H8 O20"
_cell_length_a 4.796556
_cell_length_b 9.028016
_cell_length_c 11.744496
_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 Li4Al4Si4H8O20Li4Al4Si4H8O20
_chemical_formula_sum "Li8 Al8 Si8 H16 O40"
_cell_length_a 9.593112
_cell_length_b 9.028016
_cell_length_c 11.744496
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SuperCellAction | 7663f28c-e109-4ca7-9ef4-537a854a2c8b | mp-1522321 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural K4Sr4Ce4Sb4O24
_chemical_formula_sum "K4 Sr4 Ce4 Sb4 O24"
_cell_length_a 8.47630223
_cell_length_b 8.4464501
_cell_length_c 8.4381874
_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 K4Sr4Ce4Sb4O24K4Sr4Ce4Sb4O24K4Sr4Ce4Sb4O24K4Sr4Ce4Sb4O24K4Sr4Ce4Sb4O24K4Sr4Ce4Sb4O24
_chemical_formula_sum "K24 Sr24 Ce24 Sb24 O144"
_cell_length_a 8.47630223
_cell_length_b 16.8929002
_cell_length_c 25.3145622
_cell_angle_alpha 90.0
_cell... |
SuperCellAction | e30a9421-5da3-4a31-a370-dc6185f7c78a | mp-770944 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Li8Co4C8S2O32
_chemical_formula_sum "Li8 Co4 C8 S2 O32"
_cell_length_a 9.145502
_cell_length_b 9.15633002
_cell_length_c 9.24263428
_cell_angle_alpha 118.92522838999999
_cell_angle_beta 118.89628031
_cell_angle_gamma 91.29093861
_s... | data_image0
_chemical_formula_structural Li8Co4C8S2O32Li8Co4C8S2O32Li8Co4C8S2O32Li8Co4C8S2O32Li8Co4C8S2O32Li8Co4C8S2O32
_chemical_formula_sum "Li48 Co24 C48 S12 O192"
_cell_length_a 27.436506
_cell_length_b 18.31266004
_cell_length_c 9.24263428
_cell_angle_alpha 118.9252283899999... |
SuperCellAction | b774356c-25fd-463c-8f68-f9dbe818f1de | mp-1036398 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mg14AlBO16Mg14AlBO16Mg14AlBO16Mg14AlBO16
_chemical_formula_sum "Mg56 Al4 B4 O64"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 16.74554592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | 48595a43-6519-4962-9131-ca9d99cd0fc3 | mp-758607 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_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 Li4Co4Si4O16Li4Co4Si4O16Li4Co4Si4O16Li4Co4Si4O16
_chemical_formula_sum "Li16 Co16 Si16 O64"
_cell_length_a 9.86169
_cell_length_b 13.720564
_cell_length_c 9.684071
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | 6873587a-edb4-4228-8ff7-06bb419a3e95 | mp-775316 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Li8Ti4Fe12O32
_chemical_formula_sum "Li8 Ti4 Fe12 O32"
_cell_length_a 8.397925
_cell_length_b 8.40734447
_cell_length_c 8.612380319999998
_cell_angle_alpha 90.06248353
_cell_angle_beta 90.01226097
_cell_angle_gamma 90.14909803
_spa... | data_image0
_chemical_formula_structural Li8Ti4Fe12O32Li8Ti4Fe12O32Li8Ti4Fe12O32Li8Ti4Fe12O32Li8Ti4Fe12O32Li8Ti4Fe12O32Li8Ti4Fe12O32Li8Ti4Fe12O32
_chemical_formula_sum "Li64 Ti32 Fe96 O256"
_cell_length_a 16.79585
_cell_length_b 16.81468894
_cell_length_c 17.224760639999996
_cell_an... |
SuperCellAction | d6a53da8-531f-4aa7-8bd5-2282b5f871b4 | mp-558350 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_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 Zn16Te8Br16O24Zn16Te8Br16O24Zn16Te8Br16O24Zn16Te8Br16O24
_chemical_formula_sum "Zn64 Te32 Br64 O96"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 65.943612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 5b21941a-daf3-47ae-8336-0b6f08771740 | mp-2230319 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural MgFe6O6F6MgFe6O6F6
_chemical_formula_sum "Mg2 Fe12 O12 F12"
_cell_length_a 10.08787594
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H... |
SuperCellAction | cd292051-6c92-412f-8267-ab0da2c2849a | mp-728512 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Ca8Ce4Ti2Si8B8O48
_chemical_formula_sum "Ca8 Ce4 Ti2 Si8 B8 O48"
_cell_length_a 4.8078
_cell_length_b 10.367604
_cell_length_c 19.06387455
_cell_angle_alpha 68.01810942
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ca8Ce4Ti2Si8B8O48Ca8Ce4Ti2Si8B8O48Ca8Ce4Ti2Si8B8O48Ca8Ce4Ti2Si8B8O48Ca8Ce4Ti2Si8B8O48Ca8Ce4Ti2Si8B8O48
_chemical_formula_sum "Ca48 Ce24 Ti12 Si48 B48 O288"
_cell_length_a 4.8078
_cell_length_b 31.102812
_cell_length_c 38.1277491
_cell_angle_a... |
SuperCellAction | 57e6d802-0637-4f00-889e-ef6f6dff7a39 | mp-1105449 | Create a supercell with the size 1*3*2. | 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 Sm2Tl2P4Se12Sm2Tl2P4Se12Sm2Tl2P4Se12Sm2Tl2P4Se12Sm2Tl2P4Se12Sm2Tl2P4Se12
_chemical_formula_sum "Sm12 Tl12 P24 Se72"
_cell_length_a 7.755927
_cell_length_b 20.735993999999998
_cell_length_c 20.71015978
_cell_angle_alpha 88.99944141999998
_c... |
SuperCellAction | 8298336d-b4cc-48ff-918a-da8d3e7ddbca | mp-608551 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 Ti2Al4Br16Ti2Al4Br16Ti2Al4Br16
_chemical_formula_sum "Ti6 Al12 Br48"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 40.538630999999995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 4a614a21-461f-43ee-a56b-c6803bc83992 | mp-1176688 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Li12Fe12Si12O48
_chemical_formula_sum "Li12 Fe12 Si12 O48"
_cell_length_a 5.485882
_cell_length_b 8.264865
_cell_length_c 18.762459
_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 Li12Fe12Si12O48Li12Fe12Si12O48Li12Fe12Si12O48Li12Fe12Si12O48Li12Fe12Si12O48Li12Fe12Si12O48
_chemical_formula_sum "Li72 Fe72 Si72 O288"
_cell_length_a 5.485882
_cell_length_b 16.52973
_cell_length_c 56.287377
_cell_angle_alpha 90.0
_cell_an... |
SuperCellAction | 79188aa7-7162-4b3c-862c-38f7c45648fa | mp-30447 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18Sr18Cd8Bi18Sr18Cd8Bi18
_chemical_formula_sum "Sr54 Cd24 Bi54"
_cell_length_a 4.92851629
_cell_length_b 40.1252712
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma... |
SuperCellAction | 2a496e8e-0c87-41a9-be05-472fa13d75cd | mp-9511 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural K4As2Au2S8
_chemical_formula_sum "K4 As2 Au2 S8"
_cell_length_a 6.93280871
_cell_length_b 6.61767417
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4As2Au2S8K4As2Au2S8K4As2Au2S8K4As2Au2S8K4As2Au2S8K4As2Au2S8
_chemical_formula_sum "K24 As12 Au12 S48"
_cell_length_a 6.93280871
_cell_length_b 13.23534834
_cell_length_c 28.76398194
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
... |
SuperCellAction | 946ffaf4-6e4e-4bcf-8f00-0e8cf054a868 | mp-1048483 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Ba2AlNi3O7
_chemical_formula_sum "Ba2 Al1 Ni3 O7"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_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 Ba2AlNi3O7Ba2AlNi3O7Ba2AlNi3O7Ba2AlNi3O7Ba2AlNi3O7Ba2AlNi3O7Ba2AlNi3O7Ba2AlNi3O7
_chemical_formula_sum "Ba16 Al8 Ni24 O56"
_cell_length_a 3.750112
_cell_length_b 15.646036
_cell_length_c 22.66965
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | e670a68f-79c6-42b7-9ac9-546d142dea2f | mp-756803 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe4NiO8Li3Fe4NiO8Li3Fe4NiO8Li3Fe4NiO8Li3Fe4NiO8Li3Fe4NiO8Li3Fe4NiO8Li3Fe4NiO8
_chemical_formula_sum "Li24 Fe32 Ni8 O64"
_cell_length_a 11.99759994
_cell_length_b 11.99759994
_cell_length_c 11.97499196
_cell_angle_alpha 60.26840743
_cell... |
SuperCellAction | 45c86411-9f43-4359-9194-5fba9a09dc64 | mp-758878 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe8O3F13Li3Fe8O3F13
_chemical_formula_sum "Li6 Fe16 O6 F26"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 20.901539520000004
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370... |
SuperCellAction | e1422634-3b2c-4666-a41a-4b4ddfb4bd77 | mp-1028212 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural LaMg14Al
_chemical_formula_sum "La1 Mg14 Al1"
_cell_length_a 6.5266893
_cell_length_b 6.52668874
_cell_length_c 10.36455099
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000283999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural LaMg14AlLaMg14AlLaMg14AlLaMg14Al
_chemical_formula_sum "La4 Mg56 Al4"
_cell_length_a 26.1067572
_cell_length_b 6.52668874
_cell_length_c 10.36455099
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000283999998
... |
SuperCellAction | e230365f-aa78-4fdf-9b4b-afd107cd530e | mp-1205225 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Fe6P12O54
_chemical_formula_sum "Fe6 P12 O54"
_cell_length_a 9.26045587
_cell_length_b 9.26045587
_cell_length_c 17.125258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Fe6P12O54Fe6P12O54Fe6P12O54Fe6P12O54Fe6P12O54Fe6P12O54
_chemical_formula_sum "Fe36 P72 O324"
_cell_length_a 27.781367609999997
_cell_length_b 9.26045587
_cell_length_c 34.250516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 8417febf-e257-4bff-b7ea-97c3f669c08e | mp-1214002 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce3P6Pd20Ce3P6Pd20
_chemical_formula_sum "Ce6 P12 Pd40"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 17.39487056
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013... |
SuperCellAction | b9aa780a-d939-4b24-9c7a-85cc42b21041 | mp-1080028 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6
_chemical_formula_sum "Sr16 Zr8 Ti8 O48"
_cell_length_a 11.49871942
_cell_length_b 11.49871942
_cell_length_c 11.49871942
_cell_angle_alpha 120.33852864999999
_cell_a... |
SuperCellAction | f757dbcd-48da-483e-9c1d-1ad6216b5da9 | mp-758001 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Li8V4C4O20
_chemical_formula_sum "Li8 V4 C4 O20"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_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 Li8V4C4O20Li8V4C4O20Li8V4C4O20Li8V4C4O20Li8V4C4O20Li8V4C4O20Li8V4C4O20Li8V4C4O20
_chemical_formula_sum "Li64 V32 C32 O160"
_cell_length_a 5.879408
_cell_length_b 9.426139
_cell_length_c 48.0707
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 3407da0e-5852-4043-b479-63a0310a1ac9 | mp-1225690 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Er2Fe6Co6P7
_chemical_formula_sum "Er2 Fe6 Co6 P7"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er2Fe6Co6P7Er2Fe6Co6P7Er2Fe6Co6P7
_chemical_formula_sum "Er6 Fe18 Co18 P21"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 26.94741216
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SuperCellAction | 4ab7038e-a1f4-4ee7-925e-f4c622011088 | mp-978989 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tc14B6Tc14B6Tc14B6Tc14B6
_chemical_formula_sum "Tc56 B24"
_cell_length_a 14.93309678
_cell_length_b 14.933092760000001
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_gro... |
SuperCellAction | 1e8375f3-f273-402c-ab1a-2338ba4723f7 | mp-568761 | Create a supercell with the size 2X3X1. | 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 Ag16Te16Ag16Te16Ag16Te16Ag16Te16Ag16Te16Ag16Te16
_chemical_formula_sum "Ag96 Te96"
_cell_length_a 9.56712614
_cell_length_b 26.89057839
_cell_length_c 20.0509739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 6531fbfd-d480-4e67-a4ec-1e9784962a37 | mp-17383 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Ni8Ge4
_chemical_formula_sum "Ni8 Ge4"
_cell_length_a 3.78795382
_cell_length_b 5.09612578
_cell_length_c 7.17851986
_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 Ni8Ge4Ni8Ge4Ni8Ge4
_chemical_formula_sum "Ni24 Ge12"
_cell_length_a 3.78795382
_cell_length_b 5.09612578
_cell_length_c 21.535559579999997
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | 0231107f-0f30-47d4-a4b4-a96488345737 | mp-1199395 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Zr4O12F20
_chemical_formula_sum "Zr4 O12 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... | data_image0
_chemical_formula_structural Zr4O12F20Zr4O12F20Zr4O12F20Zr4O12F20
_chemical_formula_sum "Zr16 O48 F80"
_cell_length_a 33.94094858
_cell_length_b 16.53675226
_cell_length_c 12.16661468
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gam... |
SuperCellAction | ac5dbd91-e6bb-44e7-8369-8cb08313243a | mp-1029422 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6
_chemical_formula_sum "Nb16 Zn32 N48"
_cell_length_a 5.69129974
_cell_length_b 23.06100472
_cell_length_c 10.77863858
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 322ca1f2-2619-4b9b-bced-43c7faa9720e | mp-1217800 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... | data_image0
_chemical_formula_structural Ta12MoO33Ta12MoO33Ta12MoO33Ta12MoO33
_chemical_formula_sum "Ta48 Mo4 O132"
_cell_length_a 11.45759689
_cell_length_b 45.83038756
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_... |
SuperCellAction | 6c91c460-5d96-4f92-86fa-be79313917ef | mp-1214079 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Ca6Cd32Cu
_chemical_formula_sum "Ca6 Cd32 Cu1"
_cell_length_a 9.730385
_cell_length_b 9.730385
_cell_length_c 9.730385
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Ca6Cd32CuCa6Cd32CuCa6Cd32CuCa6Cd32CuCa6Cd32CuCa6Cd32CuCa6Cd32CuCa6Cd32Cu
_chemical_formula_sum "Ca48 Cd256 Cu8"
_cell_length_a 38.92154
_cell_length_b 19.46077
_cell_length_c 9.730385
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 92f55571-aaf3-4e6b-bd3e-6a10d94384f6 | mp-28297 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_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 Nd12S8Br20Nd12S8Br20Nd12S8Br20
_chemical_formula_sum "Nd36 S24 Br60"
_cell_length_a 20.781867
_cell_length_b 7.256481
_cell_length_c 22.787283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | acf3ab6c-e08d-4b55-9c60-9d31b8925bc6 | mp-1218215 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Ta8Cu3S24
_chemical_formula_sum "Ta8 Cu3 S24"
_cell_length_a 3.42696889
_cell_length_b 9.62368759
_cell_length_c 21.665108739999997
_cell_angle_alpha 89.49460957000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Ta8Cu3S24Ta8Cu3S24Ta8Cu3S24Ta8Cu3S24
_chemical_formula_sum "Ta32 Cu12 S96"
_cell_length_a 3.42696889
_cell_length_b 19.24737518
_cell_length_c 43.330217479999995
_cell_angle_alpha 89.49460957000001
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 88809c17-14b2-4887-80bd-a4df31e1c529 | mp-1224199 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... | data_image0
_chemical_formula_structural Ho12Co9Ho12Co9Ho12Co9Ho12Co9
_chemical_formula_sum "Ho48 Co36"
_cell_length_a 4.04348636
_cell_length_b 22.27188868
_cell_length_c 22.27150496
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.0006050900... |
SuperCellAction | a07191bc-0436-4580-8ddb-c8e99c14e87e | mp-728431 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... | data_image0
_chemical_formula_structural Li4Cr4O18Li4Cr4O18Li4Cr4O18Li4Cr4O18Li4Cr4O18Li4Cr4O18Li4Cr4O18Li4Cr4O18
_chemical_formula_sum "Li32 Cr32 O144"
_cell_length_a 8.53267349
_cell_length_b 17.06534698
_cell_length_c 26.4483396
_cell_angle_alpha 83.09252253
_cell_angle_beta ... |
SuperCellAction | 2fd61917-050a-4d5f-b49c-bd047ba64637 | mp-559593 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6
_chemical_formula_sum "P18 S54 N90 F36"
_cell_length_a 11.52852389
_cell_length_b 34.58557167
_cell_length_c 23.057048
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.554... |
SuperCellAction | ccedb348-43cb-484e-b04d-7f865d007ca7 | mp-1177360 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Li4Mn3V3Fe2O16
_chemical_formula_sum "Li4 Mn3 V3 Fe2 O16"
_cell_length_a 5.91454
_cell_length_b 5.915028330000001
_cell_length_c 9.61285066
_cell_angle_alpha 89.11781684
_cell_angle_beta 88.27540368
_cell_angle_gamma 60.24362554
_s... | data_image0
_chemical_formula_structural Li4Mn3V3Fe2O16Li4Mn3V3Fe2O16Li4Mn3V3Fe2O16Li4Mn3V3Fe2O16
_chemical_formula_sum "Li16 Mn12 V12 Fe8 O64"
_cell_length_a 11.82908
_cell_length_b 5.915028330000001
_cell_length_c 19.22570132
_cell_angle_alpha 89.11781684
_cell_angle_beta 8... |
SuperCellAction | 310a3bf1-0ea8-4396-99f7-76c2ace840bd | mp-557500 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6
_chemical_formula_sum "Li8 Ni8 P16 S48"
_cell_length_a 11.7916785
_cell_length_b 5.89583925
_cell_length_c 27.85480164
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.4... |
SuperCellAction | 425cd54b-0218-43a1-9bf6-fe3f1be5961d | mp-19489 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40
_chemical_formula_sum "Sm24 Co24 B120 O240"
_cell_length_a 7.654513
_cell_length_b 17.492596
_cell_length_c 28.408847730000005
_cell_angle_alpha 86.99432535
_cell_ang... |
SuperCellAction | 009b37c4-2a3a-4e4c-ac41-5fac821c412a | mp-1176082 | 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 4.99545
_cell_length_b 5.87316598
_cell_length_c 10.22400406
_cell_angle_alpha 89.65759952
_cell_angle_beta 98.18897752
_cell_angle_gamma 106.55621967000002
_space... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li36 Mn8 Co20 O64"
_cell_length_a 9.9909
_cell_length_b 11.74633196
_cell_length_c 10.22400406
_cell_angle_alpha 89.65759952
_cell_angle_beta 98.18897752
_cell_ang... |
SuperCellAction | deb57419-3db1-40f6-90b7-49a7e272489b | mp-775339 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si12O30Li4V2Si12O30Li4V2Si12O30Li4V2Si12O30
_chemical_formula_sum "Li16 V8 Si48 O120"
_cell_length_a 9.75245569
_cell_length_b 19.50491138
_cell_length_c 19.504911380000003
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118... |
SuperCellAction | 79962f64-1373-44f9-8a97-3f95bd1369d1 | mp-1112417 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural K2TaAuF6
_chemical_formula_sum "K2 Ta1 Au1 F6"
_cell_length_a 7.20553407
_cell_length_b 7.20553407
_cell_length_c 7.20553407
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2TaAuF6K2TaAuF6K2TaAuF6K2TaAuF6
_chemical_formula_sum "K8 Ta4 Au4 F24"
_cell_length_a 14.41106814
_cell_length_b 7.20553407
_cell_length_c 14.41106814
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_... |
SuperCellAction | fd32f40c-1eab-4f0e-a61d-4223d6106fb8 | mp-25285 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4Ni2O12Mn4Ni2O12Mn4Ni2O12Mn4Ni2O12
_chemical_formula_sum "Mn16 Ni8 O48"
_cell_length_a 20.045123
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_... |
SuperCellAction | d4cab5ca-43c6-46f6-b18c-fd626ba2b508 | mp-2227842 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... | data_image0
_chemical_formula_structural MgBi4O8MgBi4O8MgBi4O8MgBi4O8MgBi4O8MgBi4O8
_chemical_formula_sum "Mg6 Bi24 O48"
_cell_length_a 16.87826454
_cell_length_b 7.93709688
_cell_length_c 15.057095440000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_ce... |
SuperCellAction | f15b3f06-3d8a-42d2-916d-329dfc808461 | mp-558636 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Ca2Al4O8
_chemical_formula_sum "Ca2 Al4 O8"
_cell_length_a 3.75689449
_cell_length_b 5.56036099
_cell_length_c 7.059453099999999
_cell_angle_alpha 78.76788928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca2Al4O8Ca2Al4O8Ca2Al4O8Ca2Al4O8Ca2Al4O8Ca2Al4O8
_chemical_formula_sum "Ca12 Al24 O48"
_cell_length_a 7.51378898
_cell_length_b 5.56036099
_cell_length_c 21.178359299999997
_cell_angle_alpha 78.76788928
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 60f08e84-445d-40b9-8282-c4ea4f529e80 | mp-570684 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zr4Os8Zr4Os8Zr4Os8Zr4Os8Zr4Os8Zr4Os8Zr4Os8Zr4Os8
_chemical_formula_sum "Zr32 Os64"
_cell_length_a 5.2087459
_cell_length_b 20.83498964
_cell_length_c 17.17676606
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000... |
SuperCellAction | c51f6e92-319d-4cd6-b199-51cae37d691f | mp-18245 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_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 Na4Co4P4O16Na4Co4P4O16
_chemical_formula_sum "Na8 Co8 P8 O32"
_cell_length_a 10.159518
_cell_length_b 6.870334
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 1d6c82ef-ad08-440b-9794-9373ea767ce9 | mp-571569 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd9I18Cd9I18Cd9I18Cd9I18
_chemical_formula_sum "Cd36 I72"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 257.49126296
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_grou... |
SuperCellAction | d50031f4-66d2-469d-b5da-a12841a02997 | mp-759145 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Li12Co12Si12O48
_chemical_formula_sum "Li12 Co12 Si12 O48"
_cell_length_a 8.025713
_cell_length_b 8.653149
_cell_length_c 17.3381364
_cell_angle_alpha 60.657230430000006
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Li12Co12Si12O48Li12Co12Si12O48Li12Co12Si12O48Li12Co12Si12O48Li12Co12Si12O48Li12Co12Si12O48Li12Co12Si12O48Li12Co12Si12O48
_chemical_formula_sum "Li96 Co96 Si96 O384"
_cell_length_a 8.025713
_cell_length_b 34.612596
_cell_length_c 34.6762728
_c... |
SuperCellAction | bce5f48d-d073-498f-903a-5a790d43a958 | mp-1224658 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho4Fe34C2Ho4Fe34C2Ho4Fe34C2Ho4Fe34C2Ho4Fe34C2Ho4Fe34C2Ho4Fe34C2Ho4Fe34C2
_chemical_formula_sum "Ho32 Fe272 C16"
_cell_length_a 16.49973
_cell_length_b 17.0280822
_cell_length_c 17.07754218
_cell_angle_alpha 119.90410991000002
_cell_angle_b... |
SuperCellAction | 1b44bf0c-e1c8-45b9-942d-1ae2bf650d18 | mp-1228355 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_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 Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba64 Sn16 Ge32 S128 Br32"
_cell_length_a 18.214338
_cell_length_b 9.29278
_cell_length_c 48.434612... |
SuperCellAction | 3029745f-43c9-47f8-81a6-b92713d13c8f | mp-626573 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Fe16H16O32
_chemical_formula_sum "Fe16 H16 O32"
_cell_length_a 6.015304
_cell_length_b 11.314208370000001
_cell_length_c 12.29183503
_cell_angle_alpha 96.5951154
_cell_angle_beta 90.06491777
_cell_angle_gamma 90.25076776999998
_spa... | data_image0
_chemical_formula_structural Fe16H16O32Fe16H16O32Fe16H16O32Fe16H16O32Fe16H16O32Fe16H16O32Fe16H16O32Fe16H16O32
_chemical_formula_sum "Fe128 H128 O256"
_cell_length_a 6.015304
_cell_length_b 45.256833480000004
_cell_length_c 24.58367006
_cell_angle_alpha 96.5951154
_cel... |
SuperCellAction | 2c24b712-99f0-4bae-9795-4f8531218561 | mp-1522695 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural KCaTbNbO6
_chemical_formula_sum "K1 Ca1 Tb1 Nb1 O6"
_cell_length_a 5.9966415
_cell_length_b 5.996641499999999
_cell_length_c 5.996641499999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural KCaTbNbO6KCaTbNbO6
_chemical_formula_sum "K2 Ca2 Tb2 Nb2 O12"
_cell_length_a 5.9966415
_cell_length_b 11.993282999999998
_cell_length_c 5.996641499999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_an... |
SuperCellAction | 854e581a-3cb5-437a-8114-bc21760d3109 | mp-1196766 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Ce2Ni4N34O48
_chemical_formula_sum "Ce2 Ni4 N34 O48"
_cell_length_a 10.25773665
_cell_length_b 10.25773665
_cell_length_c 10.25773665
_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 Ce2Ni4N34O48Ce2Ni4N34O48Ce2Ni4N34O48Ce2Ni4N34O48Ce2Ni4N34O48Ce2Ni4N34O48
_chemical_formula_sum "Ce12 Ni24 N204 O288"
_cell_length_a 20.5154733
_cell_length_b 30.773209950000002
_cell_length_c 10.25773665
_cell_angle_alpha 90.0
_cell_angle_... |
SuperCellAction | 3c090eb8-3776-42e1-b5cb-5df2a394e0f9 | mp-1520482 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural KEuFeSnO6
_chemical_formula_sum "K1 Eu1 Fe1 Sn1 O6"
_cell_length_a 5.67554949
_cell_length_b 5.67554949
_cell_length_c 5.67554949
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KEuFeSnO6KEuFeSnO6KEuFeSnO6KEuFeSnO6KEuFeSnO6KEuFeSnO6KEuFeSnO6KEuFeSnO6
_chemical_formula_sum "K8 Eu8 Fe8 Sn8 O48"
_cell_length_a 22.70219796
_cell_length_b 5.67554949
_cell_length_c 11.35109898
_cell_angle_alpha 60.00000000000001
_cell_a... |
SuperCellAction | c274f364-9185-4b43-ad70-d9113f63e6b9 | mp-613620 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rh16O24Rh16O24Rh16O24Rh16O24Rh16O24Rh16O24
_chemical_formula_sum "Rh96 O144"
_cell_length_a 15.491506470000001
_cell_length_b 10.9037204
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_... |
SuperCellAction | 6271a92c-ea82-4df2-b961-b47f6c65c9dc | mp-1225428 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Dy4V2Fe2O12
_chemical_formula_sum "Dy4 V2 Fe2 O12"
_cell_length_a 5.682189
_cell_length_b 5.250896
_cell_length_c 9.19555886
_cell_angle_alpha 55.284866669999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Dy4V2Fe2O12Dy4V2Fe2O12
_chemical_formula_sum "Dy8 V4 Fe4 O24"
_cell_length_a 5.682189
_cell_length_b 10.501792
_cell_length_c 9.19555886
_cell_angle_alpha 55.284866669999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 43946fac-70c7-4d67-bdfc-f15e09eaf530 | mp-1208988 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Sm3Ni9Sn6
_chemical_formula_sum "Sm3 Ni9 Sn6"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sm3Ni9Sn6Sm3Ni9Sn6Sm3Ni9Sn6Sm3Ni9Sn6Sm3Ni9Sn6Sm3Ni9Sn6Sm3Ni9Sn6Sm3Ni9Sn6
_chemical_formula_sum "Sm24 Ni72 Sn48"
_cell_length_a 8.204782
_cell_length_b 19.16493922
_cell_length_c 19.16493922
_cell_angle_alpha 119.9999973
_cell_angle_beta ... |
SuperCellAction | 5370570b-7d0d-4323-932a-aafd7ac3b8cf | mp-530449 | Create a supercell with the size 1 by 4 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 Ca21As14O56Ca21As14O56Ca21As14O56Ca21As14O56Ca21As14O56Ca21As14O56Ca21As14O56Ca21As14O56
_chemical_formula_sum "Ca168 As112 O448"
_cell_length_a 14.25577019
_cell_length_b 57.023080760000006
_cell_length_c 28.511539859999996
_cell_angle_alpha... |
SuperCellAction | 6f751905-81d4-4ed9-b146-6a99acab2fc6 | mp-604304 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Hg2H32Br12N8
_chemical_formula_sum "Hg2 H32 Br12 N8"
_cell_length_a 9.123975
_cell_length_b 9.129847
_cell_length_c 9.482614
_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 Hg2H32Br12N8Hg2H32Br12N8Hg2H32Br12N8
_chemical_formula_sum "Hg6 H96 Br36 N24"
_cell_length_a 9.123975
_cell_length_b 27.389541
_cell_length_c 9.482614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | a0541e5a-f133-409b-a1b4-0b090b9a1475 | mp-1102486 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... | data_image0
_chemical_formula_structural Sm2P2O8Sm2P2O8Sm2P2O8Sm2P2O8
_chemical_formula_sum "Sm8 P8 O32"
_cell_length_a 23.34908696
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma ... |
SuperCellAction | fcd9cd05-5105-434e-81b9-173f94ec86a2 | mp-768947 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Li10Zn3Ge4O16
_chemical_formula_sum "Li10 Zn3 Ge4 O16"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001
_spa... | data_image0
_chemical_formula_structural Li10Zn3Ge4O16Li10Zn3Ge4O16
_chemical_formula_sum "Li20 Zn6 Ge8 O32"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 21.99754032
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.4233232... |
SuperCellAction | ca1131cf-347d-4e35-93d8-e282fde14e07 | mp-1174188 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 2.906382
_cell_length_b 7.770289890000001
_cell_length_c 8.28969021
_cell_angle_alpha 105.28852112000001
_cell_angle_beta 90.2531899
_cell_angle_gamma 98.5773225099... | data_image0
_chemical_formula_structural Li6Mn2Co2O10Li6Mn2Co2O10
_chemical_formula_sum "Li12 Mn4 Co4 O20"
_cell_length_a 5.812764
_cell_length_b 7.770289890000001
_cell_length_c 8.28969021
_cell_angle_alpha 105.28852112000001
_cell_angle_beta 90.2531899
_cell_angle_gamma ... |
SuperCellAction | 7cedcc68-56d0-4b1e-bf45-938c102afe9c | mp-778104 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Na8V8O20
_chemical_formula_sum "Na8 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_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 Na8V8O20Na8V8O20Na8V8O20Na8V8O20Na8V8O20Na8V8O20Na8V8O20Na8V8O20
_chemical_formula_sum "Na64 V64 O160"
_cell_length_a 10.695496
_cell_length_b 6.609739
_cell_length_c 68.028016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | 5c63c771-b50d-459c-bfa2-a708b2887000 | mp-726132 | Create a supercell with the size 1×1×2. | 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 Ta2N4Cl10Ta2N4Cl10
_chemical_formula_sum "Ta4 N8 Cl20"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 21.081404499999998
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma ... |
SuperCellAction | 264b5bb5-0219-41da-b62c-d7a1a42bde45 | mp-1214497 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F2Ba10P6O24F2Ba10P6O24F2
_chemical_formula_sum "Ba30 P18 O72 F6"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 23.377932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_s... |
SuperCellAction | 3c001181-ebd8-426f-9519-71169364c2d1 | mp-1520242 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrSeO6BaNaPrSeO6BaNaPrSeO6BaNaPrSeO6BaNaPrSeO6BaNaPrSeO6
_chemical_formula_sum "Ba6 Na6 Pr6 Se6 O36"
_cell_length_a 5.89468683
_cell_length_b 11.78937366
_cell_length_c 17.68406049
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | 0165b322-2516-4a8a-9900-05e231f8be27 | mp-2713621 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na36 Zr12 Ti12 Si24 P12 O144"
_cell_length_a 47.10179253
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta ... |
SuperCellAction | 4145a4f8-e47c-4b43-9e4f-6cedf25d058e | mp-1213326 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Cs2Tm2Nb12Br36
_chemical_formula_sum "Cs2 Tm2 Nb12 Br36"
_cell_length_a 9.8943093
_cell_length_b 9.8943093
_cell_length_c 18.473738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999529
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2Tm2Nb12Br36Cs2Tm2Nb12Br36Cs2Tm2Nb12Br36Cs2Tm2Nb12Br36Cs2Tm2Nb12Br36Cs2Tm2Nb12Br36
_chemical_formula_sum "Cs12 Tm12 Nb72 Br216"
_cell_length_a 19.7886186
_cell_length_b 29.6829279
_cell_length_c 18.473738
_cell_angle_alpha 90.0
_cell_ang... |
SuperCellAction | ab4ca6ff-e39c-447f-bb22-8b239cc7a127 | mp-1103985 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd9Pt6Nd9Pt6Nd9Pt6Nd9Pt6Nd9Pt6Nd9Pt6Nd9Pt6Nd9Pt6
_chemical_formula_sum "Nd72 Pt48"
_cell_length_a 30.8069078
_cell_length_b 7.701915030000001
_cell_length_c 15.403693360000002
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.389269609... |
SuperCellAction | e4fcf28d-421d-490e-af17-1e6128993748 | mp-2227842 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... | data_image0
_chemical_formula_structural MgBi4O8MgBi4O8
_chemical_formula_sum "Mg2 Bi8 O16"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 15.057095440000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849... |
SuperCellAction | 80bb522e-ad65-44b4-8fa7-81f819120bab | mp-1027965 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14GaYMg14GaYMg14GaYMg14GaYMg14GaYMg14GaYMg14GaYMg14Ga
_chemical_formula_sum "Y8 Mg112 Ga8"
_cell_length_a 12.9566342
_cell_length_b 25.054692199999998
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 6caa052a-7cc7-47ec-8cd2-30d08762fd1f | mp-2958 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Dy2B4C4
_chemical_formula_sum "Dy2 B4 C4"
_cell_length_a 3.57203823
_cell_length_b 5.33014105
_cell_length_c 5.33014105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Dy2B4C4Dy2B4C4Dy2B4C4Dy2B4C4
_chemical_formula_sum "Dy8 B16 C16"
_cell_length_a 7.14407646
_cell_length_b 10.6602821
_cell_length_c 5.33014105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | a555cb76-cc04-4e03-ade2-789cee552bf3 | mp-542012 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb8Hf6S28Rb8Hf6S28
_chemical_formula_sum "Rb16 Hf12 S56"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 27.239650700000002
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_... |
SuperCellAction | 53f37766-8985-435f-ac9f-3e01f843986a | mp-1075015 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Mg6Si8
_chemical_formula_sum "Mg6 Si8"
_cell_length_a 5.044503
_cell_length_b 7.35325489
_cell_length_c 7.916554249999999
_cell_angle_alpha 74.21862641
_cell_angle_beta 71.62100249
_cell_angle_gamma 83.72573839
_space_group_name_H-... | data_image0
_chemical_formula_structural Mg6Si8Mg6Si8
_chemical_formula_sum "Mg12 Si16"
_cell_length_a 5.044503
_cell_length_b 7.35325489
_cell_length_c 15.833108499999998
_cell_angle_alpha 74.21862641
_cell_angle_beta 71.62100249
_cell_angle_gamma 83.72573839
_space_grou... |
SuperCellAction | 472817e6-6694-4d82-a4a2-cf66c5725b22 | mp-17822 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24
_chemical_formula_sum "Dy48 Mo24 O144"
_cell_length_a 19.71460954
_cell_length_b 9.857304769999999
_cell_length_c 16.023419160000003
_cell_angle_alpha 74.85744461
_cell_angle_beta ... |
SuperCellAction | b5029230-5873-472e-a7d6-647ab31922bd | mp-1212718 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Ga12Te12Br4
_chemical_formula_sum "Ga12 Te12 Br4"
_cell_length_a 4.11658704
_cell_length_b 11.12482074
_cell_length_c 19.49617953
_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 Ga12Te12Br4Ga12Te12Br4Ga12Te12Br4Ga12Te12Br4Ga12Te12Br4Ga12Te12Br4
_chemical_formula_sum "Ga72 Te72 Br24"
_cell_length_a 12.34976112
_cell_length_b 11.12482074
_cell_length_c 38.99235906
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
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