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 | e46bd777-a8f4-4252-9cf0-c220540a97a0 | mp-866712 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Rb2Mn2P6H2O20
_chemical_formula_sum "Rb2 Mn2 P6 H2 O20"
_cell_length_a 7.45061739
_cell_length_b 7.4494786
_cell_length_c 8.81472559
_cell_angle_alpha 76.23618966
_cell_angle_beta 103.76421994
_cell_angle_gamma 109.87850337
_space_... | data_image0
_chemical_formula_structural Rb2Mn2P6H2O20Rb2Mn2P6H2O20Rb2Mn2P6H2O20Rb2Mn2P6H2O20
_chemical_formula_sum "Rb8 Mn8 P24 H8 O80"
_cell_length_a 7.45061739
_cell_length_b 7.4494786
_cell_length_c 35.25890236
_cell_angle_alpha 76.23618966
_cell_angle_beta 103.76421994
_... |
SuperCellAction | 1a91c32f-c18b-4767-9fb5-20a40a9a81ec | mp-1200799 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Ca8P8O44
_chemical_formula_sum "Ca8 P8 O44"
_cell_length_a 7.594686
_cell_length_b 10.73256
_cell_length_c 12.41554938
_cell_angle_alpha 67.75535302
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ca8P8O44Ca8P8O44Ca8P8O44Ca8P8O44Ca8P8O44Ca8P8O44
_chemical_formula_sum "Ca48 P48 O264"
_cell_length_a 7.594686
_cell_length_b 32.19768
_cell_length_c 24.83109876
_cell_angle_alpha 67.75535302
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | a2147357-f14d-4f18-b616-45996b5da0e8 | mp-767946 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Mn2V3SbP6O24
_chemical_formula_sum "Mn2 V3 Sb1 P6 O24"
_cell_length_a 8.72948468
_cell_length_b 8.72948468
_cell_length_c 8.72948441
_cell_angle_alpha 59.75848674
_cell_angle_beta 59.75848674
_cell_angle_gamma 59.75848234000001
_sp... | data_image0
_chemical_formula_structural Mn2V3SbP6O24Mn2V3SbP6O24Mn2V3SbP6O24Mn2V3SbP6O24
_chemical_formula_sum "Mn8 V12 Sb4 P24 O96"
_cell_length_a 17.45896936
_cell_length_b 17.45896936
_cell_length_c 8.72948441
_cell_angle_alpha 59.75848674
_cell_angle_beta 59.75848674
_ce... |
SuperCellAction | 2104e33e-7abf-4247-a164-6a2f74885494 | mp-30156 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Li4Mg4N4
_chemical_formula_sum "Li4 Mg4 N4"
_cell_length_a 3.48231532
_cell_length_b 4.9830527
_cell_length_c 7.11871738
_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 Li4Mg4N4Li4Mg4N4Li4Mg4N4Li4Mg4N4Li4Mg4N4Li4Mg4N4
_chemical_formula_sum "Li24 Mg24 N24"
_cell_length_a 3.48231532
_cell_length_b 9.9661054
_cell_length_c 21.35615214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | dff20c8d-30a7-4aed-8016-59c84bc07b71 | mp-676210 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Li4Ti4Cl12
_chemical_formula_sum "Li4 Ti4 Cl12"
_cell_length_a 7.44327449
_cell_length_b 7.44327449
_cell_length_c 12.345259959999998
_cell_angle_alpha 71.52505696
_cell_angle_beta 71.52505696
_cell_angle_gamma 57.46468224
_space_g... | data_image0
_chemical_formula_structural Li4Ti4Cl12Li4Ti4Cl12Li4Ti4Cl12Li4Ti4Cl12
_chemical_formula_sum "Li16 Ti16 Cl48"
_cell_length_a 7.44327449
_cell_length_b 14.88654898
_cell_length_c 24.690519919999996
_cell_angle_alpha 71.52505696
_cell_angle_beta 71.52505696
_cell_ang... |
SuperCellAction | 93b49cfb-383e-4ae2-9a63-6a9a8a2fd6e4 | mp-1213236 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural La4P12O56
_chemical_formula_sum "La4 P12 O56"
_cell_length_a 7.027589
_cell_length_b 13.07274
_cell_length_c 13.706809
_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 La4P12O56La4P12O56
_chemical_formula_sum "La8 P24 O112"
_cell_length_a 7.027589
_cell_length_b 13.07274
_cell_length_c 27.413618
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | 0dd0a49d-840d-4503-ba14-4eb2be0d9f87 | mp-571288 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... | data_image0
_chemical_formula_structural K2Ta2Ag4Se8K2Ta2Ag4Se8K2Ta2Ag4Se8K2Ta2Ag4Se8K2Ta2Ag4Se8K2Ta2Ag4Se8K2Ta2Ag4Se8K2Ta2Ag4Se8
_chemical_formula_sum "K16 Ta16 Ag32 Se64"
_cell_length_a 20.8415311
_cell_length_b 10.420765549999999
_cell_length_c 33.503196
_cell_angle_alpha 90.0... |
SuperCellAction | a1abeafd-29a5-4424-934c-06d267a0296f | mp-2713621 | Create a supercell with the size 1*4*2. | 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 Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na96 Zr32 Ti32 Si64 P32 O384"
_cell_length_a 15.70059751
_cell_length_b 36.33336... |
SuperCellAction | 674abccf-8378-46c6-bf2c-8f055c786db2 | mp-27741 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te4Au4I4Te4Au4I4Te4Au4I4Te4Au4I4Te4Au4I4Te4Au4I4
_chemical_formula_sum "Te24 Au24 I24"
_cell_length_a 7.30427224
_cell_length_b 22.93892541
_cell_length_c 15.65600156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 10... |
SuperCellAction | 8cef226f-26b4-459e-89b6-f164b261e741 | mp-1016342 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 Sr2Mg12Sb2Sr2Mg12Sb2Sr2Mg12Sb2Sr2Mg12Sb2Sr2Mg12Sb2Sr2Mg12Sb2Sr2Mg12Sb2Sr2Mg12Sb2
_chemical_formula_sum "Sr16 Mg96 Sb16"
_cell_length_a 10.38038
_cell_length_b 27.818404
_cell_length_c 11.657676
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 05a766b2-35a0-49c3-a305-d025fc903a25 | mp-561248 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_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 Sm8Cu8Te8S8Sm8Cu8Te8S8Sm8Cu8Te8S8Sm8Cu8Te8S8
_chemical_formula_sum "Sm32 Cu32 Te32 S32"
_cell_length_a 7.567117
_cell_length_b 15.187902
_cell_length_c 25.405722
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 14ebe949-d7f0-44ac-8a0f-c7770bc05336 | mp-1178123 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Li4Co8O16
_chemical_formula_sum "Li4 Co8 O16"
_cell_length_a 5.72944164
_cell_length_b 5.729441639999999
_cell_length_c 9.404251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.87882780999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Li4Co8O16Li4Co8O16Li4Co8O16Li4Co8O16Li4Co8O16Li4Co8O16
_chemical_formula_sum "Li24 Co48 O96"
_cell_length_a 11.45888328
_cell_length_b 5.729441639999999
_cell_length_c 28.212753
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 716c7a78-196b-4fc5-8c9f-d21f4bfa86c4 | mp-2232163 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural MgFe2S2O8F2
_chemical_formula_sum "Mg1 Fe2 S2 O8 F2"
_cell_length_a 5.43255704
_cell_length_b 5.43448225
_cell_length_c 7.72976369
_cell_angle_alpha 68.54836201
_cell_angle_beta 72.66019112000001
_cell_angle_gamma 91.96954964000001
... | data_image0
_chemical_formula_structural MgFe2S2O8F2MgFe2S2O8F2MgFe2S2O8F2MgFe2S2O8F2MgFe2S2O8F2MgFe2S2O8F2
_chemical_formula_sum "Mg6 Fe12 S12 O48 F12"
_cell_length_a 16.29767112
_cell_length_b 5.43448225
_cell_length_c 15.45952738
_cell_angle_alpha 68.54836201
_cell_angle_beta ... |
SuperCellAction | 676b4bfa-ad96-40b2-a0ec-a9567f5a4f80 | mp-2218162 | Create a supercell with the size 1x2x1. | 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 MgNbBi3O7MgNbBi3O7
_chemical_formula_sum "Mg2 Nb2 Bi6 O14"
_cell_length_a 3.69064346
_cell_length_b 7.287911600000001
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma ... |
SuperCellAction | 0ac67eaf-bf6a-455b-a075-336457451ed7 | mp-2227447 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural MgMn3HO6
_chemical_formula_sum "Mg1 Mn3 H1 O6"
_cell_length_a 3.00975532
_cell_length_b 5.20196557
_cell_length_c 7.42103346
_cell_angle_alpha 92.90304337
_cell_angle_beta 101.50906820000002
_cell_angle_gamma 89.93480920999998
_spa... | data_image0
_chemical_formula_structural MgMn3HO6MgMn3HO6MgMn3HO6MgMn3HO6
_chemical_formula_sum "Mg4 Mn12 H4 O24"
_cell_length_a 3.00975532
_cell_length_b 10.40393114
_cell_length_c 14.84206692
_cell_angle_alpha 92.90304337
_cell_angle_beta 101.50906820000002
_cell_angle_gamm... |
SuperCellAction | e77d6ec5-5423-4b58-ad8b-fb2dfda3f922 | mp-757417 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Li4Mn3NiP4O16
_chemical_formula_sum "Li4 Mn3 Ni1 P4 O16"
_cell_length_a 6.101448
_cell_length_b 4.768228
_cell_length_c 10.43285751
_cell_angle_alpha 89.89808202999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li4Mn3NiP4O16Li4Mn3NiP4O16Li4Mn3NiP4O16Li4Mn3NiP4O16
_chemical_formula_sum "Li16 Mn12 Ni4 P16 O64"
_cell_length_a 6.101448
_cell_length_b 19.072912
_cell_length_c 10.43285751
_cell_angle_alpha 89.89808202999998
_cell_angle_beta 90.0
_c... |
SuperCellAction | 16e4293a-965f-4c94-bc9f-cb5361ea9fa9 | mp-1182309 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Ca2B4O20
_chemical_formula_sum "Ca2 B4 O20"
_cell_length_a 8.50278134
_cell_length_b 8.50278134
_cell_length_c 8.857175189999998
_cell_angle_alpha 70.68163003
_cell_angle_beta 70.68163003
_cell_angle_gamma 42.86706253999999
_space_... | data_image0
_chemical_formula_structural Ca2B4O20Ca2B4O20Ca2B4O20Ca2B4O20Ca2B4O20Ca2B4O20Ca2B4O20Ca2B4O20
_chemical_formula_sum "Ca16 B32 O160"
_cell_length_a 17.00556268
_cell_length_b 8.50278134
_cell_length_c 35.42870075999999
_cell_angle_alpha 70.68163003
_cell_angle_beta ... |
SuperCellAction | c13e6479-8797-4835-a767-3e48189720ee | mp-2217709 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgTiZnBi2O6MgTiZnBi2O6MgTiZnBi2O6MgTiZnBi2O6MgTiZnBi2O6MgTiZnBi2O6
_chemical_formula_sum "Mg6 Ti6 Zn6 Bi12 O36"
_cell_length_a 11.16135832
_cell_length_b 16.74203748
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | ba965fda-5b11-4293-87b7-cd65df558b33 | mp-755742 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Ho4Sb4O14
_chemical_formula_sum "Ho4 Sb4 O14"
_cell_length_a 7.53854295
_cell_length_b 7.53854295
_cell_length_c 7.53854295
_cell_angle_alpha 121.21490040999998
_cell_angle_beta 118.52242450000001
_cell_angle_gamma 90.2433866
_spac... | data_image0
_chemical_formula_structural Ho4Sb4O14Ho4Sb4O14Ho4Sb4O14Ho4Sb4O14Ho4Sb4O14Ho4Sb4O14Ho4Sb4O14Ho4Sb4O14
_chemical_formula_sum "Ho32 Sb32 O112"
_cell_length_a 15.0770859
_cell_length_b 15.0770859
_cell_length_c 15.0770859
_cell_angle_alpha 121.21490040999998
_cell_angle_... |
SuperCellAction | 0e6a52f4-2fed-4191-9094-a29b59b57b81 | mp-729312 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural K8In4Br20O4
_chemical_formula_sum "K8 In4 Br20 O4"
_cell_length_a 8.351858
_cell_length_b 10.76391
_cell_length_c 13.275205
_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 K8In4Br20O4K8In4Br20O4K8In4Br20O4K8In4Br20O4K8In4Br20O4K8In4Br20O4
_chemical_formula_sum "K48 In24 Br120 O24"
_cell_length_a 8.351858
_cell_length_b 21.52782
_cell_length_c 39.825615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 114b2759-29c2-4684-bcb7-0ff087eb7396 | mp-770481 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta9PO25Ta9PO25Ta9PO25Ta9PO25Ta9PO25Ta9PO25Ta9PO25Ta9PO25
_chemical_formula_sum "Ta72 P8 O200"
_cell_length_a 44.8605226
_cell_length_b 11.21512517
_cell_length_c 22.43019444
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_c... |
SuperCellAction | d94f20e2-f9a8-43b3-a0fa-9e23db177030 | mp-24598 | Create a supercell with the size 2 by 4 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 Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40
_chemical_formula_sum "Ba32 V32 P64 H128 O320"
_cell_length_a 12.987432
_cell_length_b 43.940876
_cell_length_c 11.56911505
_cell_angle_a... |
SuperCellAction | 19976186-fc9c-4318-a643-c9099d7c4229 | mp-762633 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... | data_image0
_chemical_formula_structural LiMn2NiO6LiMn2NiO6LiMn2NiO6LiMn2NiO6LiMn2NiO6LiMn2NiO6
_chemical_formula_sum "Li6 Mn12 Ni6 O36"
_cell_length_a 5.831876
_cell_length_b 17.687701949999997
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.492... |
SuperCellAction | c1d4949b-5ae1-4dd7-bfc0-eab1ee98f5cb | mp-1174239 | Create a supercell with the size 1X4X1. | 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 Li8Co6O14Li8Co6O14Li8Co6O14Li8Co6O14
_chemical_formula_sum "Li32 Co24 O56"
_cell_length_a 5.085458
_cell_length_b 20.52568612
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70... |
SuperCellAction | 8796a6f0-fac4-45a7-aeea-7f5d019fa48c | mp-772861 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Ba4Sr8I24
_chemical_formula_sum "Ba4 Sr8 I24"
_cell_length_a 8.170479
_cell_length_b 8.170479
_cell_length_c 24.566283
_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 Ba4Sr8I24Ba4Sr8I24Ba4Sr8I24Ba4Sr8I24
_chemical_formula_sum "Ba16 Sr32 I96"
_cell_length_a 8.170479
_cell_length_b 32.681916
_cell_length_c 24.566283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 7f83b6e7-af66-4bd7-a36b-814c0f78396e | mp-753328 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Li5Mn3Co2O10
_chemical_formula_sum "Li5 Mn3 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_grou... | data_image0
_chemical_formula_structural Li5Mn3Co2O10Li5Mn3Co2O10Li5Mn3Co2O10Li5Mn3Co2O10
_chemical_formula_sum "Li20 Mn12 Co8 O40"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 30.87946488
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_... |
SuperCellAction | 79afe118-bc4a-4ff0-a137-5baad578bdad | mp-1207972 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural U4Ti6Ge8
_chemical_formula_sum "U4 Ti6 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural U4Ti6Ge8U4Ti6Ge8U4Ti6Ge8
_chemical_formula_sum "U12 Ti18 Ge24"
_cell_length_a 7.127392
_cell_length_b 21.058497
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | 44baad77-53a2-4ec0-97f9-e4e0414de587 | mp-650121 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li12Se6O24Li12Se6O24Li12Se6O24Li12Se6O24Li12Se6O24Li12Se6O24
_chemical_formula_sum "Li72 Se36 O144"
_cell_length_a 17.26869
_cell_length_b 27.21718491
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.4208835... |
SuperCellAction | 897ed4b5-bff2-4431-8477-d081299b4a44 | mp-13602 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd12As8O32Cd12As8O32Cd12As8O32Cd12As8O32Cd12As8O32Cd12As8O32Cd12As8O32Cd12As8O32
_chemical_formula_sum "Cd96 As64 O256"
_cell_length_a 48.31985728
_cell_length_b 6.65751238
_cell_length_c 18.57761158
_cell_angle_alpha 81.67061731000001
_ce... |
SuperCellAction | f0ca65bf-c4c2-46f9-b3f3-a5852e8d3937 | mp-1223550 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural KP4N3O16
_chemical_formula_sum "K1 P4 N3 O16"
_cell_length_a 7.898002
_cell_length_b 7.898002
_cell_length_c 7.512958
_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 KP4N3O16KP4N3O16KP4N3O16KP4N3O16KP4N3O16KP4N3O16
_chemical_formula_sum "K6 P24 N18 O96"
_cell_length_a 23.694006
_cell_length_b 15.796004
_cell_length_c 7.512958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 7aee5c95-4f84-4828-a2d5-3ef6b4378195 | mp-763659 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3V2Fe2O8Li3V2Fe2O8Li3V2Fe2O8Li3V2Fe2O8Li3V2Fe2O8Li3V2Fe2O8
_chemical_formula_sum "Li18 V12 Fe12 O48"
_cell_length_a 11.888368
_cell_length_b 5.94678724
_cell_length_c 17.90800128
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.4965... |
SuperCellAction | c736b4b4-75cf-422e-b0e7-deb5721fb0a6 | mp-1044237 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Ca2Ti2V2P6O24
_chemical_formula_sum "Ca2 Ti2 V2 P6 O24"
_cell_length_a 8.87059187
_cell_length_b 8.87059173
_cell_length_c 8.87059125
_cell_angle_alpha 58.46360295
_cell_angle_beta 58.46360429
_cell_angle_gamma 58.4636058
_space_gr... | data_image0
_chemical_formula_structural Ca2Ti2V2P6O24Ca2Ti2V2P6O24Ca2Ti2V2P6O24
_chemical_formula_sum "Ca6 Ti6 V6 P18 O72"
_cell_length_a 26.611775610000002
_cell_length_b 8.87059173
_cell_length_c 8.87059125
_cell_angle_alpha 58.46360295
_cell_angle_beta 58.46360429
_cell_a... |
SuperCellAction | bb7e2f42-6021-4568-ac72-8ca9b68d29ab | mp-28179 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta4Cl24Na4Ta4Cl24Na4Ta4Cl24Na4Ta4Cl24
_chemical_formula_sum "Na16 Ta16 Cl96"
_cell_length_a 13.81457312
_cell_length_b 12.92207872
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | c2a17b6f-4339-4854-ae95-32613604fbb0 | mp-1235350 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Rb4LiSe4O14
_chemical_formula_sum "Rb4 Li1 Se4 O14"
_cell_length_a 7.7815658
_cell_length_b 8.46016297
_cell_length_c 8.069522730000001
_cell_angle_alpha 93.73619673
_cell_angle_beta 86.21764356
_cell_angle_gamma 60.13418853999999
... | data_image0
_chemical_formula_structural Rb4LiSe4O14Rb4LiSe4O14Rb4LiSe4O14Rb4LiSe4O14Rb4LiSe4O14Rb4LiSe4O14Rb4LiSe4O14Rb4LiSe4O14
_chemical_formula_sum "Rb32 Li8 Se32 O112"
_cell_length_a 31.1262632
_cell_length_b 8.46016297
_cell_length_c 16.139045460000002
_cell_angle_alpha 93.... |
SuperCellAction | 4a31530a-5f0c-4398-8293-36464e5b1a0b | mp-1228441 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba7Hg31Ba7Hg31Ba7Hg31Ba7Hg31Ba7Hg31Ba7Hg31Ba7Hg31Ba7Hg31
_chemical_formula_sum "Ba56 Hg248"
_cell_length_a 21.93996396
_cell_length_b 21.940014559999998
_cell_length_c 20.8880336
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 7a373e88-26a0-49ee-9370-da0d62b2cd76 | mp-1214242 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Be6Ag8P6Br2O24
_chemical_formula_sum "Be6 Ag8 P6 Br2 O24"
_cell_length_a 8.63032
_cell_length_b 8.63032
_cell_length_c 8.63032
_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 Be6Ag8P6Br2O24Be6Ag8P6Br2O24Be6Ag8P6Br2O24Be6Ag8P6Br2O24
_chemical_formula_sum "Be24 Ag32 P24 Br8 O96"
_cell_length_a 34.52128
_cell_length_b 8.63032
_cell_length_c 8.63032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 93d6ac72-2313-49eb-8d52-388451d29b29 | mp-1047887 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Mg2Co6P6O26
_chemical_formula_sum "Mg2 Co6 P6 O26"
_cell_length_a 6.28561
_cell_length_b 7.520573
_cell_length_c 10.0473253
_cell_angle_alpha 79.61009721
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mg2Co6P6O26Mg2Co6P6O26
_chemical_formula_sum "Mg4 Co12 P12 O52"
_cell_length_a 6.28561
_cell_length_b 7.520573
_cell_length_c 20.0946506
_cell_angle_alpha 79.61009721
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 0f4234e9-3158-4a1b-aabb-f689f339c0b5 | mp-1113640 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Rb2SmAuCl6
_chemical_formula_sum "Rb2 Sm1 Au1 Cl6"
_cell_length_a 7.70197677
_cell_length_b 7.701976770000001
_cell_length_c 7.701976769999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rb2SmAuCl6Rb2SmAuCl6Rb2SmAuCl6
_chemical_formula_sum "Rb6 Sm3 Au3 Cl18"
_cell_length_a 7.70197677
_cell_length_b 23.10593031
_cell_length_c 7.701976769999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell... |
SuperCellAction | 1e95858c-6fda-49bc-80d6-ed0a4e88afc5 | mp-780727 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Li4V3Cr2O10
_chemical_formula_sum "Li4 V3 Cr2 O10"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space_gr... | data_image0
_chemical_formula_structural Li4V3Cr2O10Li4V3Cr2O10Li4V3Cr2O10Li4V3Cr2O10Li4V3Cr2O10Li4V3Cr2O10
_chemical_formula_sum "Li24 V18 Cr12 O60"
_cell_length_a 10.261274
_cell_length_b 5.15615823
_cell_length_c 23.541107819999997
_cell_angle_alpha 72.12691452000001
_cell_ang... |
SuperCellAction | 8fee290c-05a2-4e72-bc02-8d4d8b443d39 | mp-1207697 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CuF6Zr3CuF6Zr3CuF6Zr3CuF6Zr3CuF6Zr3CuF6Zr3CuF6Zr3CuF6
_chemical_formula_sum "Zr24 Cu8 F48"
_cell_length_a 11.83980346
_cell_length_b 21.86759856
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
... |
SuperCellAction | 0fc66d33-0370-41e8-83d3-f21237f4c844 | mp-1176342 | Create a supercell with the size 1X1X4. | 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 8.89571282
_cell_length_c 35.59816192
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284... |
SuperCellAction | ec15b72f-9953-4b97-a029-8cb3e65e46c6 | mp-561176 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb8P4O4F52Sb8P4O4F52Sb8P4O4F52Sb8P4O4F52Sb8P4O4F52Sb8P4O4F52Sb8P4O4F52Sb8P4O4F52
_chemical_formula_sum "Sb64 P32 O32 F416"
_cell_length_a 60.1864
_cell_length_b 14.939872
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_... |
SuperCellAction | 9dd9ca22-998d-4869-8fe3-6830809acf06 | mp-28802 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Sr4Zn3F14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_grou... | data_image0
_chemical_formula_structural Sr4Zn3F14Sr4Zn3F14Sr4Zn3F14Sr4Zn3F14Sr4Zn3F14Sr4Zn3F14Sr4Zn3F14Sr4Zn3F14
_chemical_formula_sum "Sr32 Zn24 F112"
_cell_length_a 6.75415152
_cell_length_b 13.50831534
_cell_length_c 28.49254476
_cell_angle_alpha 89.99988321
_cell_angle_beta ... |
SuperCellAction | 9058823b-cfb1-461c-af3e-7beda174ca11 | mp-754011 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Li2Bi6O12
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 93.14... | data_image0
_chemical_formula_structural Li2Bi6O12Li2Bi6O12Li2Bi6O12Li2Bi6O12
_chemical_formula_sum "Li8 Bi24 O48"
_cell_length_a 6.72808738
_cell_length_b 26.912349520000003
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.147247359999... |
SuperCellAction | 0d1e838f-c1a8-40b8-8bfa-360601e1e629 | mp-1227935 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Ca20Si3Ge9O44
_chemical_formula_sum "Ca20 Si3 Ge9 O44"
_cell_length_a 7.01949952
_cell_length_b 13.62135502
_cell_length_c 12.53445101
_cell_angle_alpha 64.77673551
_cell_angle_beta 92.28420985000001
_cell_angle_gamma 79.31438136
_... | data_image0
_chemical_formula_structural Ca20Si3Ge9O44Ca20Si3Ge9O44Ca20Si3Ge9O44Ca20Si3Ge9O44Ca20Si3Ge9O44Ca20Si3Ge9O44
_chemical_formula_sum "Ca120 Si18 Ge54 O264"
_cell_length_a 21.05849856
_cell_length_b 13.62135502
_cell_length_c 25.06890202
_cell_angle_alpha 64.77673551
_cel... |
SuperCellAction | 3e516046-2cd7-4407-97e3-df57f5a5f1c5 | mp-767140 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Sn8P8O28
_chemical_formula_sum "Sn8 P8 O28"
_cell_length_a 6.986132
_cell_length_b 7.04389705
_cell_length_c 13.017652370000002
_cell_angle_alpha 83.33325966
_cell_angle_beta 89.96986367
_cell_angle_gamma 89.99300467
_space_group_n... | data_image0
_chemical_formula_structural Sn8P8O28Sn8P8O28Sn8P8O28Sn8P8O28Sn8P8O28Sn8P8O28Sn8P8O28Sn8P8O28
_chemical_formula_sum "Sn64 P64 O224"
_cell_length_a 6.986132
_cell_length_b 28.1755882
_cell_length_c 26.035304740000004
_cell_angle_alpha 83.33325966
_cell_angle_beta 8... |
SuperCellAction | f0c4de6e-e039-4f6e-a5e0-af788dc2a70e | mp-753160 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Bi4O4F4
_chemical_formula_sum "Bi4 O4 F4"
_cell_length_a 3.791646
_cell_length_b 6.376568
_cell_length_c 7.388758
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Bi4O4F4Bi4O4F4Bi4O4F4
_chemical_formula_sum "Bi12 O12 F12"
_cell_length_a 3.791646
_cell_length_b 6.376568
_cell_length_c 22.166274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SuperCellAction | ee3c627d-6568-4ae5-8062-0d6d7d5f08ec | mp-1212060 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural In4Pb8F28
_chemical_formula_sum "In4 Pb8 F28"
_cell_length_a 12.44457357
_cell_length_b 5.59001845
_cell_length_c 8.4130136
_cell_angle_alpha 89.64555741
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural In4Pb8F28In4Pb8F28In4Pb8F28In4Pb8F28In4Pb8F28In4Pb8F28In4Pb8F28In4Pb8F28
_chemical_formula_sum "In32 Pb64 F224"
_cell_length_a 12.44457357
_cell_length_b 22.3600738
_cell_length_c 16.8260272
_cell_angle_alpha 89.64555741
_cell_angle_beta ... |
SuperCellAction | ad95173d-de89-42b1-a97c-61c06880b4a5 | mp-729907 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... | data_image0
_chemical_formula_structural NiH48C16S8N2O14NiH48C16S8N2O14NiH48C16S8N2O14NiH48C16S8N2O14
_chemical_formula_sum "Ni4 H192 C64 S32 N8 O56"
_cell_length_a 39.479248
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_a... |
SuperCellAction | 80eadf4a-c34a-45e7-93a9-e0394bd68044 | mp-1208177 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U8Co2U8Co2U8Co2U8Co2U8Co2U8Co2U8Co2U8Co2
_chemical_formula_sum "U64 Co16"
_cell_length_a 6.73577333
_cell_length_b 13.47154666
_cell_length_c 26.94309332
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angl... |
SuperCellAction | 2ec11dbd-f456-4abc-a0a5-ca61105c11ca | mp-1213447 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2KBaNaCaTi4Fe8Si8O38F2KBaNaCaTi4Fe8Si8O38F2KBaNaCaTi4Fe8Si8O38F2KBaNaCaTi4Fe8Si8O38F2KBaNaCaTi4Fe8Si8O38F2KBaNaCaTi4Fe8Si8O38F2KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K8 Ba8 Na8 Ca8 Ti32 Fe64 Si64 O304 F16"
_cell_length_a 5.40697... |
SuperCellAction | f0b8d995-c48f-4d83-a405-f36268f26dac | mp-1173638 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O20Sr10CuRu4O20Sr10CuRu4O20Sr10CuRu4O20Sr10CuRu4O20Sr10CuRu4O20Sr10CuRu4O20Sr10CuRu4O20
_chemical_formula_sum "Sr80 Cu8 Ru32 O160"
_cell_length_a 17.77334924
_cell_length_b 8.886674619999999
_cell_length_c 35.54669848
_cell_angle_alp... |
SuperCellAction | c6d70325-f67a-40b6-bbd8-8148fbdf39c2 | mp-1192446 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Pb4Se2N4O18
_chemical_formula_sum "Pb4 Se2 N4 O18"
_cell_length_a 5.48916173
_cell_length_b 7.2929014
_cell_length_c 10.31421434
_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 Pb4Se2N4O18Pb4Se2N4O18Pb4Se2N4O18Pb4Se2N4O18Pb4Se2N4O18Pb4Se2N4O18
_chemical_formula_sum "Pb24 Se12 N24 O108"
_cell_length_a 10.97832346
_cell_length_b 7.2929014
_cell_length_c 30.94264302
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | 78ed7820-e4f0-4391-ad7f-73e334aedb6b | mp-1200874 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Ce16Mg8Ni16
_chemical_formula_sum "Ce16 Mg8 Ni16"
_cell_length_a 7.569322
_cell_length_b 10.421412
_cell_length_c 10.424190230000002
_cell_angle_alpha 87.24409627999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ce16Mg8Ni16Ce16Mg8Ni16Ce16Mg8Ni16
_chemical_formula_sum "Ce48 Mg24 Ni48"
_cell_length_a 7.569322
_cell_length_b 31.264236
_cell_length_c 10.424190230000002
_cell_angle_alpha 87.24409627999998
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | a274c043-bef1-46b2-9391-18c719bdbcac | mp-1080534 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Cs2Li3I5
_chemical_formula_sum "Cs2 Li3 I5"
_cell_length_a 4.71841827
_cell_length_b 8.73774837
_cell_length_c 10.83985247
_cell_angle_alpha 67.29995139
_cell_angle_beta 77.41023237
_cell_angle_gamma 74.39038752
_space_group_name_H... | data_image0
_chemical_formula_structural Cs2Li3I5Cs2Li3I5Cs2Li3I5Cs2Li3I5
_chemical_formula_sum "Cs8 Li12 I20"
_cell_length_a 9.43683654
_cell_length_b 17.47549674
_cell_length_c 10.83985247
_cell_angle_alpha 67.29995139
_cell_angle_beta 77.41023237
_cell_angle_gamma 74.39... |
SuperCellAction | 550de286-3e57-46c6-b90e-8f4ac32cd0af | mp-1211020 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Li4Ga4P16O48
_chemical_formula_sum "Li4 Ga4 P16 O48"
_cell_length_a 8.383566
_cell_length_b 9.205698
_cell_length_c 12.690747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Li4Ga4P16O48Li4Ga4P16O48Li4Ga4P16O48
_chemical_formula_sum "Li12 Ga12 P48 O144"
_cell_length_a 8.383566
_cell_length_b 9.205698
_cell_length_c 38.072241
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 7f3e9880-c631-4028-9b1a-da4f41fa14fc | mp-1204112 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12
_chemical_formula_sum "Sn16 H64 S96 N96 Cl96"
_cell_length_a 53.160696
_cell_length_b 14.72832
_cell_length_c 11.93042055... |
SuperCellAction | 9dddd74b-a3f4-4b4a-839f-4f746508a183 | mp-1177498 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Li6V4P8H4O32
_chemical_formula_sum "Li6 V4 P8 H4 O32"
_cell_length_a 9.45768122
_cell_length_b 9.39833587
_cell_length_c 7.90360836
_cell_angle_alpha 78.64358395
_cell_angle_beta 78.66118834
_cell_angle_gamma 117.71818503999998
_sp... | data_image0
_chemical_formula_structural Li6V4P8H4O32Li6V4P8H4O32Li6V4P8H4O32Li6V4P8H4O32Li6V4P8H4O32Li6V4P8H4O32
_chemical_formula_sum "Li36 V24 P48 H24 O192"
_cell_length_a 28.37304366
_cell_length_b 9.39833587
_cell_length_c 15.80721672
_cell_angle_alpha 78.64358395
_cell_angl... |
SuperCellAction | 49d3a831-4c46-4058-9ed9-d251c72ca007 | mp-769928 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8Li4NbV3O8Li4NbV3O8Li4NbV3O8
_chemical_formula_sum "Li16 Nb4 V12 O32"
_cell_length_a 21.15733556
_cell_length_b 21.19076196
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_ce... |
SuperCellAction | 22af1790-a7c4-460f-8b54-580bdc2b2168 | mp-1192578 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... | data_image0
_chemical_formula_structural K2Ca4USi4O16K2Ca4USi4O16K2Ca4USi4O16K2Ca4USi4O16K2Ca4USi4O16K2Ca4USi4O16
_chemical_formula_sum "K12 Ca24 U6 Si24 O96"
_cell_length_a 13.44461
_cell_length_b 6.76571075
_cell_length_c 29.43174153
_cell_angle_alpha 98.67428088999999
_cell_an... |
SuperCellAction | 5938e80d-eb8b-4a18-a0b7-1a7d249a2dfb | mp-1029771 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12
_chemical_formula_sum "Ca64 Re32 N96"
_cell_length_a 12.13069874
_cell_length_b 43.03022504
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta ... |
SuperCellAction | 73ca2ada-8492-4cd3-964d-482b66925243 | mp-765581 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Mn8Cr4O16
_chemical_formula_sum "Mn8 Cr4 O16"
_cell_length_a 5.93782624
_cell_length_b 5.96423125
_cell_length_c 10.364558189999999
_cell_angle_alpha 75.44831521
_cell_angle_beta 74.33033313
_cell_angle_gamma 61.358565629999994
_sp... | data_image0
_chemical_formula_structural Mn8Cr4O16Mn8Cr4O16Mn8Cr4O16Mn8Cr4O16Mn8Cr4O16Mn8Cr4O16
_chemical_formula_sum "Mn48 Cr24 O96"
_cell_length_a 11.87565248
_cell_length_b 5.96423125
_cell_length_c 31.093674569999997
_cell_angle_alpha 75.44831521
_cell_angle_beta 74.33033... |
SuperCellAction | fb967345-1aa4-4c11-bd4c-fa32ce5a67c3 | mp-531566 | Create a supercell with the size 1x2x2. | 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 La16Mn14O48La16Mn14O48La16Mn14O48La16Mn14O48
_chemical_formula_sum "La64 Mn56 O192"
_cell_length_a 7.887319
_cell_length_b 18.937953140000005
_cell_length_c 29.60021608
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_... |
SuperCellAction | 097d8c58-f813-4fc4-a40a-efaa8ad8e7db | mp-1198143 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Ca4B8H40O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 Ca4B8H40O4Ca4B8H40O4Ca4B8H40O4Ca4B8H40O4Ca4B8H40O4Ca4B8H40O4
_chemical_formula_sum "Ca24 B48 H240 O24"
_cell_length_a 18.05787
_cell_length_b 16.104958
_cell_length_c 11.659561
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | a847b38f-8170-4c44-9ad2-a13a52bc607d | mp-24473 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16
_chemical_formula_sum "Be32 P32 H128 N32 O128"
_cell_length_a 9.85300346
_cell_length_b 17.17416116
_cell_length_c 17.41981076
_cell_angl... |
SuperCellAction | a11a8daf-bbd9-4129-985f-83720cc62948 | mp-1079383 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce4In2Cu4Ce4In2Cu4Ce4In2Cu4Ce4In2Cu4Ce4In2Cu4Ce4In2Cu4Ce4In2Cu4Ce4In2Cu4
_chemical_formula_sum "Ce32 In16 Cu32"
_cell_length_a 16.760186
_cell_length_b 16.760186
_cell_length_c 6.309078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | b0880687-28c4-41ee-8235-fc68c1cd4f5d | mp-763831 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Li16Mn2O8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li16Mn2O8F4Li16Mn2O8F4Li16Mn2O8F4Li16Mn2O8F4
_chemical_formula_sum "Li64 Mn8 O32 F16"
_cell_length_a 5.68516989
_cell_length_b 11.37033978
_cell_length_c 21.76428
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47... |
SuperCellAction | 04a7f935-a22b-4851-89c9-da05f6693022 | mp-1177049 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... | data_image0
_chemical_formula_structural Li6Co3NiP6O24Li6Co3NiP6O24Li6Co3NiP6O24
_chemical_formula_sum "Li18 Co9 Ni3 P18 O72"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 25.51615842
_cell_angle_alpha 62.453191649999994
_cell_angle_beta 62.58654536
_cell_a... |
SuperCellAction | 36690fef-3c27-4494-8a30-4089de4198a2 | mp-8829 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cr4Ga4Se12Cr4Ga4Se12Cr4Ga4Se12Cr4Ga4Se12Cr4Ga4Se12Cr4Ga4Se12
_chemical_formula_sum "Cr24 Ga24 Se72"
_cell_length_a 3.76641143
_cell_length_b 20.52006126
_cell_length_c 37.47655224
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 19d0b25a-f6a1-4e71-8c1c-23ab21a0e445 | mp-1227095 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Ca2Pd2F8
_chemical_formula_sum "Ca2 Pd2 F8"
_cell_length_a 5.531275
_cell_length_b 5.521787
_cell_length_c 5.5594698
_cell_angle_alpha 87.76431318999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca2Pd2F8Ca2Pd2F8Ca2Pd2F8Ca2Pd2F8Ca2Pd2F8Ca2Pd2F8Ca2Pd2F8Ca2Pd2F8
_chemical_formula_sum "Ca16 Pd16 F64"
_cell_length_a 11.06255
_cell_length_b 22.087148
_cell_length_c 5.5594698
_cell_angle_alpha 87.76431318999998
_cell_angle_beta 90.0
... |
SuperCellAction | ac6b79d8-0bb4-427c-a1ae-e1cde8d5d181 | mp-1212808 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural Dy8Rh2Dy8Rh2Dy8Rh2Dy8Rh2
_chemical_formula_sum "Dy32 Rh8"
_cell_length_a 15.17828464
_cell_length_b 7.5891423200000006
_cell_length_c 15.178284639999998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angl... |
SuperCellAction | 86cb5fa9-53e1-492d-be88-f8bcdbc40c8b | mp-557871 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... | data_image0
_chemical_formula_structural Cu2As2Pb2O8Cu2As2Pb2O8Cu2As2Pb2O8Cu2As2Pb2O8Cu2As2Pb2O8Cu2As2Pb2O8
_chemical_formula_sum "Cu12 As12 Pb12 O48"
_cell_length_a 4.940538
_cell_length_b 11.87889036
_cell_length_c 24.333073920000004
_cell_angle_alpha 78.38046383999999
_cell_an... |
SuperCellAction | a1f2c9c7-ffbf-4790-a4f4-68296f97a8bb | mp-849277 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Li4Cu2P6H4O20
_chemical_formula_sum "Li4 Cu2 P6 H4 O20"
_cell_length_a 7.32518
_cell_length_b 7.64629812
_cell_length_c 8.23532196
_cell_angle_alpha 71.38916824999998
_cell_angle_beta 73.79031742000001
_cell_angle_gamma 71.49767689
... | data_image0
_chemical_formula_structural Li4Cu2P6H4O20Li4Cu2P6H4O20Li4Cu2P6H4O20Li4Cu2P6H4O20Li4Cu2P6H4O20Li4Cu2P6H4O20
_chemical_formula_sum "Li24 Cu12 P36 H24 O120"
_cell_length_a 7.32518
_cell_length_b 15.29259624
_cell_length_c 24.70596588
_cell_angle_alpha 71.38916824999998
... |
SuperCellAction | 68d36aa0-8611-405f-9614-8ea3461dbe06 | mp-1208371 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl20O4Tl4N8Cl20O4Tl4N8Cl20O4
_chemical_formula_sum "Tl12 N24 Cl60 O12"
_cell_length_a 23.184669
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 23a5ddfa-7b9d-4b6e-8cb7-3825ff294930 | mp-758720 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Li5CuF6
_chemical_formula_sum "Li5 Cu1 F6"
_cell_length_a 5.13729529
_cell_length_b 5.13729529
_cell_length_c 5.14646913
_cell_angle_alpha 79.89385741999999
_cell_angle_beta 79.89385741999999
_cell_angle_gamma 119.62825862999999
_s... | data_image0
_chemical_formula_structural Li5CuF6Li5CuF6Li5CuF6Li5CuF6Li5CuF6Li5CuF6Li5CuF6Li5CuF6
_chemical_formula_sum "Li40 Cu8 F48"
_cell_length_a 5.13729529
_cell_length_b 20.54918116
_cell_length_c 10.29293826
_cell_angle_alpha 79.89385741999999
_cell_angle_beta 79.89385... |
SuperCellAction | 6d22f931-b80a-40bd-b6e2-593aa7002f86 | mp-1193386 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Na2Cr4Fe2O20
_chemical_formula_sum "Na2 Cr4 Fe2 O20"
_cell_length_a 7.64650728
_cell_length_b 7.646507280000001
_cell_length_c 10.72818916
_cell_angle_alpha 72.14267351
_cell_angle_beta 72.14267351
_cell_angle_gamma 42.55578317
_sp... | data_image0
_chemical_formula_structural Na2Cr4Fe2O20Na2Cr4Fe2O20Na2Cr4Fe2O20
_chemical_formula_sum "Na6 Cr12 Fe6 O60"
_cell_length_a 7.64650728
_cell_length_b 22.93952184
_cell_length_c 10.72818916
_cell_angle_alpha 72.14267351
_cell_angle_beta 72.14267351
_cell_angle_gamma ... |
SuperCellAction | 4c4a7f6e-f733-49b3-a3a0-64ca10bb0e3f | mp-1223717 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24
_chemical_formula_sum "K12 Al36 Si36 H24 O144"
_cell_length_a 15.6967197
_cell_length_b 10.50429756
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855... |
SuperCellAction | 57ee8878-9ce0-4a8a-ac24-359c996ab9a9 | mp-754373 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.55700601
_cell_length_b 6.13466597
_cell_length_c 11.146433
_cell_angle_alpha 90.00189661
_cell_angle_beta 90.00002052999999
_cell_angle_gamma 116.93787587
_space_group... | data_image0
_chemical_formula_structural Na8Fe4O12Na8Fe4O12Na8Fe4O12Na8Fe4O12
_chemical_formula_sum "Na32 Fe16 O48"
_cell_length_a 11.11401202
_cell_length_b 12.26933194
_cell_length_c 11.146433
_cell_angle_alpha 90.00189661
_cell_angle_beta 90.00002052999999
_cell_angle_gamm... |
SuperCellAction | d219ae5a-8390-480a-9563-548a13df92ad | mp-1046426 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16Sr2V2Zn2P4O16Sr2V2Zn2P4O16Sr2V2Zn2P4O16Sr2V2Zn2P4O16Sr2V2Zn2P4O16Sr2V2Zn2P4O16Sr2V2Zn2P4O16
_chemical_formula_sum "Sr16 V16 Zn16 P32 O128"
_cell_length_a 11.06643854
_cell_length_b 28.172957039999996
_cell_length_c 9.522283399999... |
SuperCellAction | 61f2e0e7-b0f0-45b6-9d10-2e0db8eb8600 | mp-27271 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... | data_image0
_chemical_formula_structural Tl16Ge10O28Tl16Ge10O28Tl16Ge10O28Tl16Ge10O28Tl16Ge10O28Tl16Ge10O28Tl16Ge10O28Tl16Ge10O28
_chemical_formula_sum "Tl128 Ge80 O224"
_cell_length_a 29.1217485
_cell_length_b 14.560874249999998
_cell_length_c 58.24349832
_cell_angle_alpha 38.39... |
SuperCellAction | 0be7d808-aee8-4e1b-a0e4-6c53b0bc29b2 | mp-762830 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Li4Mn2Nb3V3O16
_chemical_formula_sum "Li4 Mn2 Nb3 V3 O16"
_cell_length_a 6.10565883
_cell_length_b 6.10565883
_cell_length_c 10.070974429999998
_cell_angle_alpha 89.93972260999999
_cell_angle_beta 89.93972260999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Li4Mn2Nb3V3O16Li4Mn2Nb3V3O16Li4Mn2Nb3V3O16Li4Mn2Nb3V3O16
_chemical_formula_sum "Li16 Mn8 Nb12 V12 O64"
_cell_length_a 6.10565883
_cell_length_b 6.10565883
_cell_length_c 40.28389771999999
_cell_angle_alpha 89.93972260999999
_cell_angle_bet... |
SuperCellAction | e345ea77-191b-4e76-8dc1-b094fb4fbcbc | mp-1188770 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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 Er12Co4Er12Co4Er12Co4Er12Co4Er12Co4Er12Co4
_chemical_formula_sum "Er72 Co24"
_cell_length_a 18.313788
_cell_length_b 6.838953
_cell_length_c 18.571884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 8a600efe-2645-458a-8baa-475b99594356 | mp-1197150 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Li4Pr16Ge16
_chemical_formula_sum "Li4 Pr16 Ge16"
_cell_length_a 7.50027
_cell_length_b 8.07524
_cell_length_c 15.348187
_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 Li4Pr16Ge16Li4Pr16Ge16Li4Pr16Ge16Li4Pr16Ge16Li4Pr16Ge16Li4Pr16Ge16Li4Pr16Ge16Li4Pr16Ge16
_chemical_formula_sum "Li32 Pr128 Ge128"
_cell_length_a 7.50027
_cell_length_b 16.15048
_cell_length_c 61.392748
_cell_angle_alpha 90.0
_cell_angle_be... |
SuperCellAction | c55d8ca3-a606-47f2-bab3-b110ec1a91e8 | mp-1078203 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Cs2Tl2F6
_chemical_formula_sum "Cs2 Tl2 F6"
_cell_length_a 6.759903
_cell_length_b 6.759903
_cell_length_c 6.759903
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_g... | data_image0
_chemical_formula_structural Cs2Tl2F6Cs2Tl2F6Cs2Tl2F6Cs2Tl2F6Cs2Tl2F6Cs2Tl2F6Cs2Tl2F6Cs2Tl2F6
_chemical_formula_sum "Cs16 Tl16 F48"
_cell_length_a 13.519806
_cell_length_b 6.759903
_cell_length_c 27.039612
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99... |
SuperCellAction | 905b76f2-ac94-4cc7-948d-8e4655d483f1 | mp-28092 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2B40H52O2B40H52O2B40H52O2
_chemical_formula_sum "B160 H208 O8"
_cell_length_a 53.64314252
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.3... |
SuperCellAction | f3146e1a-4b74-4b02-b53f-67ce65a03e2f | mp-1192809 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Ag4N12O12Ag4N12O12Ag4N12O12Ag4N12O12Ag4N12O12Ag4N12O12Ag4N12O12Ag4N12O12
_chemical_formula_sum "Ag32 N96 O96"
_cell_length_a 24.117124
_cell_length_b 15.861316
_cell_length_c 10.435859
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 24110310-6ee0-4dcc-b61a-ce506790f380 | mp-651997 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Fe12Ge8O32
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe12Ge8O32Fe12Ge8O32
_chemical_formula_sum "Fe24 Ge16 O64"
_cell_length_a 16.943178
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | dc326e0b-1336-4b42-a501-fe70823b135b | mp-1207697 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CuF6Zr3CuF6Zr3CuF6Zr3CuF6Zr3CuF6Zr3CuF6
_chemical_formula_sum "Zr18 Cu6 F36"
_cell_length_a 5.91990173
_cell_length_b 10.93379928
_cell_length_c 44.974079339999996
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013000001
_c... |
SuperCellAction | a4eb4e43-8694-4cdd-867d-b4714853e21b | mp-758762 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Li4Fe4P8O28
_chemical_formula_sum "Li4 Fe4 P8 O28"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Fe4P8O28Li4Fe4P8O28Li4Fe4P8O28Li4Fe4P8O28Li4Fe4P8O28Li4Fe4P8O28
_chemical_formula_sum "Li24 Fe24 P48 O168"
_cell_length_a 24.193946999999998
_cell_length_b 9.897792
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_be... |
SuperCellAction | 33ca7acc-b22b-4bf3-a00e-bfc5469004ee | mp-1236434 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr24 Li6 Mn12 Cu18 S24 O24"
_cell_length_a 5.91148118
_cell_length_b 17.700175289999997
_cell_length_c 18.71138886
_cell_angle_a... |
SuperCellAction | 5f581c5e-c7a4-45fe-88f6-b1607bb186f3 | mp-1206879 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural K3AuF6K3AuF6K3AuF6
_chemical_formula_sum "K9 Au3 F18"
_cell_length_a 20.94301329
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.193939819999... |
SuperCellAction | 6da9888f-5afb-48f1-8b9d-cb2b811da360 | mp-1194493 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Pt2S4N2O18
_chemical_formula_sum "Pt2 S4 N2 O18"
_cell_length_a 7.662609
_cell_length_b 7.73074764
_cell_length_c 7.821315860000001
_cell_angle_alpha 102.54818267
_cell_angle_beta 110.26241689
_cell_angle_gamma 100.5395611
_space_g... | data_image0
_chemical_formula_structural Pt2S4N2O18Pt2S4N2O18Pt2S4N2O18
_chemical_formula_sum "Pt6 S12 N6 O54"
_cell_length_a 7.662609
_cell_length_b 23.192242919999998
_cell_length_c 7.821315860000001
_cell_angle_alpha 102.54818267
_cell_angle_beta 110.26241689
_cell_angle_g... |
SuperCellAction | 09f660aa-5376-438c-9b6c-a528cea9271d | mp-729187 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Zn8C16N64O4
_chemical_formula_sum "Zn8 C16 N64 O4"
_cell_length_a 7.115686
_cell_length_b 11.577172
_cell_length_c 22.51136357
_cell_angle_alpha 82.36418529
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zn8C16N64O4Zn8C16N64O4Zn8C16N64O4Zn8C16N64O4Zn8C16N64O4Zn8C16N64O4
_chemical_formula_sum "Zn48 C96 N384 O24"
_cell_length_a 21.347058
_cell_length_b 23.154344
_cell_length_c 22.51136357
_cell_angle_alpha 82.36418529
_cell_angle_beta 90... |
SuperCellAction | 12e9546b-2b5f-42da-86f5-c83b63ab4e77 | mp-3346792 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural H6C6N6O6
_chemical_formula_sum "H6 C6 N6 O6"
_cell_length_a 5.1337402
_cell_length_b 5.1337402
_cell_length_c 9.01189114
_cell_angle_alpha 89.56212464
_cell_angle_beta 89.56212464
_cell_angle_gamma 81.86642870999998
_space_group_na... | data_image0
_chemical_formula_structural H6C6N6O6H6C6N6O6H6C6N6O6H6C6N6O6H6C6N6O6H6C6N6O6H6C6N6O6H6C6N6O6
_chemical_formula_sum "H48 C48 N48 O48"
_cell_length_a 10.2674804
_cell_length_b 20.5349608
_cell_length_c 9.01189114
_cell_angle_alpha 89.56212464
_cell_angle_beta 89.56... |
SuperCellAction | 21685a7f-ed1e-4628-9946-4788ac300ff9 | mp-1336298 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32Al8Hg20Se32Al8Hg20Se32Al8Hg20Se32Al8Hg20Se32Al8Hg20Se32
_chemical_formula_sum "Al48 Hg120 Se192"
_cell_length_a 25.213551000000002
_cell_length_b 16.88670242
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_be... |
SuperCellAction | 7c126d2d-ebdd-4d23-8060-f4cb5763c72e | mp-1310084 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... | data_image0
_chemical_formula_structural Co4O2F6Co4O2F6Co4O2F6Co4O2F6Co4O2F6Co4O2F6
_chemical_formula_sum "Co24 O12 F36"
_cell_length_a 14.137923930000001
_cell_length_b 4.71287246
_cell_length_c 12.40717778
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_ce... |
SuperCellAction | 550a74f2-a43d-4a15-b7b7-a03a723831d7 | mp-1076076 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural La7SmCo6Cu2O24
_chemical_formula_sum "La7 Sm1 Co6 Cu2 O24"
_cell_length_a 7.68449601
_cell_length_b 7.68449601
_cell_length_c 7.63078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.10407332999999
_space_group_nam... | data_image0
_chemical_formula_structural La7SmCo6Cu2O24La7SmCo6Cu2O24La7SmCo6Cu2O24La7SmCo6Cu2O24
_chemical_formula_sum "La28 Sm4 Co24 Cu8 O96"
_cell_length_a 7.68449601
_cell_length_b 30.73798404
_cell_length_c 7.63078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 507b5200-0fbd-473a-87a7-18370d7a07af | mp-690607 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural K2BaNiN6O12
_chemical_formula_sum "K2 Ba1 Ni1 N6 O12"
_cell_length_a 7.624416
_cell_length_b 7.81024273
_cell_length_c 7.92741595
_cell_angle_alpha 94.21306912
_cell_angle_beta 116.71285930999998
_cell_angle_gamma 117.35471982000001... | data_image0
_chemical_formula_structural K2BaNiN6O12K2BaNiN6O12K2BaNiN6O12K2BaNiN6O12K2BaNiN6O12K2BaNiN6O12
_chemical_formula_sum "K12 Ba6 Ni6 N36 O72"
_cell_length_a 22.873248
_cell_length_b 7.81024273
_cell_length_c 15.8548319
_cell_angle_alpha 94.21306912
_cell_angle_beta ... |
SuperCellAction | 184d61a8-8cb6-4105-871f-0bf2b0754b7c | mp-1111315 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Na2TiAgF6
_chemical_formula_sum "Na2 Ti1 Ag1 F6"
_cell_length_a 6.15806568
_cell_length_b 6.158065680000001
_cell_length_c 6.158065680000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Na2TiAgF6Na2TiAgF6
_chemical_formula_sum "Na4 Ti2 Ag2 F12"
_cell_length_a 6.15806568
_cell_length_b 6.158065680000001
_cell_length_c 12.316131360000002
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_... |
SuperCellAction | 55eaeaa8-a24a-4e5c-9685-4249711316cd | mp-559270 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Rb2Ba8Sb6O2
_chemical_formula_sum "Rb2 Ba8 Sb6 O2"
_cell_length_a 10.55673321
_cell_length_b 10.55673321
_cell_length_c 10.55673321
_cell_angle_alpha 129.12287568
_cell_angle_beta 129.12287568
_cell_angle_gamma 74.81294182
_space_g... | data_image0
_chemical_formula_structural Rb2Ba8Sb6O2Rb2Ba8Sb6O2Rb2Ba8Sb6O2Rb2Ba8Sb6O2Rb2Ba8Sb6O2Rb2Ba8Sb6O2Rb2Ba8Sb6O2Rb2Ba8Sb6O2
_chemical_formula_sum "Rb16 Ba64 Sb48 O16"
_cell_length_a 10.55673321
_cell_length_b 21.11346642
_cell_length_c 42.22693284
_cell_angle_alpha 129.1228... |
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