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 | eca39764-4623-4551-bf3d-feea372defe5 | mp-1210964 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Lu12Cr4S24
_chemical_formula_sum "Lu12 Cr4 S24"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_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 Lu12Cr4S24Lu12Cr4S24Lu12Cr4S24
_chemical_formula_sum "Lu36 Cr12 S72"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 46.974165479999996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 486dee01-f274-45ec-9b01-806ad02fdd27 | mp-771123 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sc6Fe6O18Sc6Fe6O18Sc6Fe6O18
_chemical_formula_sum "Sc18 Fe18 O54"
_cell_length_a 17.54153892
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_spac... |
SuperCellAction | bd62c56a-a04e-40d6-b14d-bd1796c2ec0e | mp-1079648 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural U2Ge4Rh4U2Ge4Rh4U2Ge4Rh4U2Ge4Rh4
_chemical_formula_sum "U8 Ge16 Rh16"
_cell_length_a 8.408906
_cell_length_b 4.204453
_cell_length_c 20.360722
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | f80df995-7166-43a0-a2a2-e06027c0e5a7 | mp-1213759 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Cs12Ir4Br24O4
_chemical_formula_sum "Cs12 Ir4 Br24 O4"
_cell_length_a 7.637021
_cell_length_b 13.413389
_cell_length_c 15.952445
_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 Cs12Ir4Br24O4Cs12Ir4Br24O4Cs12Ir4Br24O4Cs12Ir4Br24O4Cs12Ir4Br24O4Cs12Ir4Br24O4
_chemical_formula_sum "Cs72 Ir24 Br144 O24"
_cell_length_a 15.274042
_cell_length_b 40.240167
_cell_length_c 15.952445
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 1c68f9d7-2cc0-45e5-80e8-c0d179fcb276 | mp-780696 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082
_space... | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20Ca2Mn2As4H12O20Ca2Mn2As4H12O20Ca2Mn2As4H12O20
_chemical_formula_sum "Ca8 Mn8 As16 H48 O80"
_cell_length_a 7.051194
_cell_length_b 30.98011812
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10... |
SuperCellAction | 11525ae5-68da-4ecd-ba8d-0291821034c7 | mp-630927 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6Pb4SeBr6Pb4SeBr6Pb4SeBr6Pb4SeBr6Pb4SeBr6Pb4SeBr6Pb4SeBr6
_chemical_formula_sum "Pb32 Se8 Br48"
_cell_length_a 9.65353821
_cell_length_b 38.61415284
_cell_length_c 20.34271106
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32... |
SuperCellAction | 4b198ce4-c755-4c75-ae00-bc5dc6981d41 | mp-1028424 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CsMg14CoCsMg14CoCsMg14Co
_chemical_formula_sum "Cs3 Mg42 Co3"
_cell_length_a 6.55760238
_cell_length_b 19.004649269999998
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space... |
SuperCellAction | c4c586d3-5d75-4f9f-80e7-0e4cf069f084 | mp-1517031 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Ba4Ca4Gd4Nb4O24
_chemical_formula_sum "Ba4 Ca4 Gd4 Nb4 O24"
_cell_length_a 8.40905738
_cell_length_b 8.39257789
_cell_length_c 8.44034433
_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 Ba4Ca4Gd4Nb4O24Ba4Ca4Gd4Nb4O24Ba4Ca4Gd4Nb4O24Ba4Ca4Gd4Nb4O24
_chemical_formula_sum "Ba16 Ca16 Gd16 Nb16 O96"
_cell_length_a 16.81811476
_cell_length_b 8.39257789
_cell_length_c 16.88068866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | 9abf0ea1-2ae8-4d1a-b922-69ee9372d2c6 | mp-1233325 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural CaEr4Zr4O14
_chemical_formula_sum "Ca1 Er4 Zr4 O14"
_cell_length_a 3.57022946
_cell_length_b 15.22401611
_cell_length_c 13.07659326
_cell_angle_alpha 30.80166136999999
_cell_angle_beta 56.715480969999994
_cell_angle_gamma 61.8756690... | data_image0
_chemical_formula_structural CaEr4Zr4O14CaEr4Zr4O14CaEr4Zr4O14
_chemical_formula_sum "Ca3 Er12 Zr12 O42"
_cell_length_a 3.57022946
_cell_length_b 45.67204833
_cell_length_c 13.07659326
_cell_angle_alpha 30.80166136999999
_cell_angle_beta 56.715480969999994
_cell_a... |
SuperCellAction | 636ba636-bf73-4aa7-9968-8bd9770968b6 | mp-1026556 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CrCMg14CrCMg14CrCMg14CrCMg14CrCMg14CrC
_chemical_formula_sum "Mg84 Cr6 C6"
_cell_length_a 18.91793973
_cell_length_b 6.44472008
_cell_length_c 19.36569976
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.730513... |
SuperCellAction | 88006c16-5371-4bba-a264-9a8535f83c1b | mp-5996 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Na8Ti8Si8O36
_chemical_formula_sum "Na8 Ti8 Si8 O36"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_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 Na8Ti8Si8O36Na8Ti8Si8O36Na8Ti8Si8O36Na8Ti8Si8O36Na8Ti8Si8O36Na8Ti8Si8O36
_chemical_formula_sum "Na48 Ti48 Si48 O216"
_cell_length_a 10.574014
_cell_length_b 26.393067000000002
_cell_length_c 14.734708
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | 0fc34f20-5924-4d4e-b006-2ecafb46f1e0 | mp-1182991 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ag4Te2O12
_chemical_formula_sum "Ag4 Te2 O12"
_cell_length_a 9.03229954
_cell_length_b 6.12470557
_cell_length_c 10.04159777
_cell_angle_alpha 62.18340281999999
_cell_angle_beta 37.26355637999998
_cell_angle_gamma 80.47591117
_spac... | data_image0
_chemical_formula_structural Ag4Te2O12Ag4Te2O12Ag4Te2O12Ag4Te2O12Ag4Te2O12Ag4Te2O12
_chemical_formula_sum "Ag24 Te12 O72"
_cell_length_a 9.03229954
_cell_length_b 12.24941114
_cell_length_c 30.124793309999998
_cell_angle_alpha 62.18340281999999
_cell_angle_beta 37... |
SuperCellAction | 68e44d8e-fbae-4135-8538-1dce3925d768 | mp-1202294 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Ni8P16H16O56
_chemical_formula_sum "Ni8 P16 H16 O56"
_cell_length_a 12.797851
_cell_length_b 9.285836
_cell_length_c 9.683979269999998
_cell_angle_alpha 73.07185644
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ni8P16H16O56Ni8P16H16O56Ni8P16H16O56Ni8P16H16O56Ni8P16H16O56Ni8P16H16O56
_chemical_formula_sum "Ni48 P96 H96 O336"
_cell_length_a 25.595702
_cell_length_b 9.285836
_cell_length_c 29.05193781
_cell_angle_alpha 73.07185644
_cell_angle_beta ... |
SuperCellAction | 3e3aa1bd-c6a1-40b2-ba03-6bcea1f05527 | mp-1232032 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 13.48704158
_cell_length_b 7.88029332
_cell_length_c 6.51258164
_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 Y8Mg4S16Y8Mg4S16
_chemical_formula_sum "Y16 Mg8 S32"
_cell_length_a 26.97408316
_cell_length_b 7.88029332
_cell_length_c 6.51258164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SuperCellAction | 3ec5bcc4-8beb-4d68-9be5-c555b86b0781 | mp-1247313 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12Zn16Ag4N12
_chemical_formula_sum "Zn32 Ag8 N24"
_cell_length_a 7.08364552
_cell_length_b 13.5811573
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998... |
SuperCellAction | 05fc0458-78e6-4ef6-b8be-066a4e059c3f | mp-16623 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... | data_image0
_chemical_formula_structural Dy2Al14Au6Dy2Al14Au6Dy2Al14Au6Dy2Al14Au6Dy2Al14Au6Dy2Al14Au6Dy2Al14Au6Dy2Al14Au6
_chemical_formula_sum "Dy16 Al112 Au48"
_cell_length_a 16.76120856
_cell_length_b 33.52241712
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_c... |
SuperCellAction | 281af447-70d8-4c50-bade-becc202c6ced | mp-756744 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18
_chemical_formula_sum "Li48 Co48 B48 O144"
_cell_length_a 6.17850616
_cell_length_b 16.304987199999996
_cell_length_c 28.281483620000003
_cell_angle_alph... |
SuperCellAction | d082a1cc-5bc7-4f95-baee-348e672280ae | mp-558350 | Create a supercell with the size 2*1*1. | 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 Zn16Te8Br16O24Zn16Te8Br16O24
_chemical_formula_sum "Zn32 Te16 Br32 O48"
_cell_length_a 15.661362
_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_nam... |
SuperCellAction | 6410b571-6835-45d8-b0dd-1a2a7a689ee2 | mp-540876 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural K2Th4P6O24
_chemical_formula_sum "K2 Th4 P6 O24"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.36745654
_sp... | data_image0
_chemical_formula_structural K2Th4P6O24K2Th4P6O24K2Th4P6O24K2Th4P6O24
_chemical_formula_sum "K8 Th16 P24 O96"
_cell_length_a 38.24106824
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cel... |
SuperCellAction | c8f9907a-8b0a-4fae-b358-dbd7d16a0a27 | mp-20083 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4Sc4Cu4Si4Sc4Cu4Si4
_chemical_formula_sum "Sc12 Cu12 Si12"
_cell_length_a 3.94833885
_cell_length_b 19.590691380000003
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | f9e1b917-8236-45a6-a1e7-8af742c4cb60 | mp-1103834 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural LiMo6S8
_chemical_formula_sum "Li1 Mo6 S8"
_cell_length_a 6.52044706
_cell_length_b 6.5204470599999995
_cell_length_c 6.520447640000001
_cell_angle_alpha 92.02069996999998
_cell_angle_beta 92.02069996999998
_cell_angle_gamma 92.0206... | data_image0
_chemical_formula_structural LiMo6S8LiMo6S8LiMo6S8LiMo6S8
_chemical_formula_sum "Li4 Mo24 S32"
_cell_length_a 6.52044706
_cell_length_b 6.5204470599999995
_cell_length_c 26.081790560000005
_cell_angle_alpha 92.02069996999998
_cell_angle_beta 92.02069996999998
_cel... |
SuperCellAction | 4cb2413f-b0ee-4cdf-b3b0-b40cec304740 | mp-763481 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Nb8Co4O24
_chemical_formula_sum "Nb8 Co4 O24"
_cell_length_a 4.82910201
_cell_length_b 10.39951891
_cell_length_c 9.6593011
_cell_angle_alpha 62.34460947
_cell_angle_beta 90.00166628
_cell_angle_gamma 90.0082642
_space_group_name_H... | data_image0
_chemical_formula_structural Nb8Co4O24Nb8Co4O24Nb8Co4O24Nb8Co4O24Nb8Co4O24Nb8Co4O24Nb8Co4O24Nb8Co4O24
_chemical_formula_sum "Nb64 Co32 O192"
_cell_length_a 9.65820402
_cell_length_b 20.79903782
_cell_length_c 19.3186022
_cell_angle_alpha 62.34460947
_cell_angle_beta ... |
SuperCellAction | e7e8e8e7-6776-43d1-9267-36fee8421cd2 | mp-1095677 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Np4Sb8
_chemical_formula_sum "Np4 Sb8"
_cell_length_a 4.3506907
_cell_length_b 4.3506907
_cell_length_c 17.247987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.40688543
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Np4Sb8Np4Sb8Np4Sb8Np4Sb8Np4Sb8Np4Sb8Np4Sb8Np4Sb8
_chemical_formula_sum "Np32 Sb64"
_cell_length_a 8.7013814
_cell_length_b 8.7013814
_cell_length_c 34.495974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.40688543... |
SuperCellAction | 51a2ebff-20cb-44e9-becb-fe3ee02cbe79 | mp-997504 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F10Cu6O2F10Cu6O2F10Cu6O2F10Cu6O2F10Cu6O2F10Cu6O2F10Cu6O2F10
_chemical_formula_sum "Cu48 O16 F80"
_cell_length_a 15.08131426
_cell_length_b 11.070094559999998
_cell_length_c 10.77541838
_cell_angle_alpha 70.58667508
_cell_angle_beta ... |
SuperCellAction | 36a88c2b-75e9-4b2e-afe1-20fd465c0dab | mp-5169 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Cu8P4O18
_chemical_formula_sum "Cu8 P4 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_name_H... | data_image0
_chemical_formula_structural Cu8P4O18Cu8P4O18Cu8P4O18Cu8P4O18
_chemical_formula_sum "Cu32 P16 O72"
_cell_length_a 6.26249263
_cell_length_b 30.13492912
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98... |
SuperCellAction | e00cb6ae-a328-45db-b670-1f9a93c3706a | mp-673174 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe24N9Fe24N9Fe24N9Fe24N9Fe24N9Fe24N9Fe24N9Fe24N9
_chemical_formula_sum "Fe192 N72"
_cell_length_a 36.73483976
_cell_length_b 18.36741988
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_... |
SuperCellAction | b2683cbb-83cf-4f29-b3a5-f0d98f3d7c0e | mp-637030 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... | data_image0
_chemical_formula_structural Gd2Al6Si4PtGd2Al6Si4Pt
_chemical_formula_sum "Gd4 Al12 Si8 Pt2"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 34.36044504
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma... |
SuperCellAction | 87865f5e-f63e-4597-8bec-23abc5c245d3 | mp-753244 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2Mn4F18Li2Mn4F18Li2Mn4F18Li2Mn4F18Li2Mn4F18Li2Mn4F18
_chemical_formula_sum "Li12 Mn24 F108"
_cell_length_a 5.222341
_cell_length_b 15.78148611
_cell_length_c 29.19636306
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.5859197600000... |
SuperCellAction | 560243d6-3e53-4466-a5ea-0f928a85f1d9 | mp-3347425 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Na9Li3Mg3Cl18
_chemical_formula_sum "Na9 Li3 Mg3 Cl18"
_cell_length_a 11.90235993
_cell_length_b 11.90235993
_cell_length_c 6.28689806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999999999999
_space_group_n... | data_image0
_chemical_formula_structural Na9Li3Mg3Cl18Na9Li3Mg3Cl18Na9Li3Mg3Cl18Na9Li3Mg3Cl18Na9Li3Mg3Cl18Na9Li3Mg3Cl18
_chemical_formula_sum "Na54 Li18 Mg18 Cl108"
_cell_length_a 11.90235993
_cell_length_b 23.80471986
_cell_length_c 18.860694180000003
_cell_angle_alpha 90.0
_cel... |
SuperCellAction | e410a7bb-feb2-468a-8b57-a8ee264e302c | mp-2824 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Al4Pd8
_chemical_formula_sum "Al4 Pd8"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_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 Al4Pd8Al4Pd8Al4Pd8Al4Pd8
_chemical_formula_sum "Al16 Pd32"
_cell_length_a 16.28677168
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | 4e3eb793-58cb-46db-93c1-989686e518fa | mp-1189263 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Pd2N4O12
_chemical_formula_sum "Pd2 N4 O12"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pd2N4O12Pd2N4O12Pd2N4O12Pd2N4O12Pd2N4O12Pd2N4O12Pd2N4O12Pd2N4O12
_chemical_formula_sum "Pd16 N32 O96"
_cell_length_a 9.819814
_cell_length_b 6.199307
_cell_length_c 33.0390056
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
... |
SuperCellAction | 07ffaa95-e444-4400-9193-d3e403072f65 | mp-1106129 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_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 Bi4Te2Br2O9Bi4Te2Br2O9Bi4Te2Br2O9Bi4Te2Br2O9
_chemical_formula_sum "Bi16 Te8 Br8 O36"
_cell_length_a 5.570488
_cell_length_b 11.140976
_cell_length_c 19.633954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | 7134a2c7-6f76-4eef-b161-48361eab3c56 | mp-1043568 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Ta4P4O20
_chemical_formula_sum "Ta4 P4 O20"
_cell_length_a 10.39536412
_cell_length_b 9.10883856
_cell_length_c 7.12370371
_cell_angle_alpha 78.59862332999998
_cell_angle_beta 59.1987915
_cell_angle_gamma 42.202585170000006
_space_... | data_image0
_chemical_formula_structural Ta4P4O20Ta4P4O20Ta4P4O20Ta4P4O20Ta4P4O20Ta4P4O20Ta4P4O20Ta4P4O20
_chemical_formula_sum "Ta32 P32 O160"
_cell_length_a 20.79072824
_cell_length_b 36.43535424
_cell_length_c 7.12370371
_cell_angle_alpha 78.59862332999998
_cell_angle_beta ... |
SuperCellAction | bd1128dc-3876-4da6-84b9-a11e3ae59d9d | mp-1043165 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Ca4Ni4Ge8O24
_chemical_formula_sum "Ca4 Ni4 Ge8 O24"
_cell_length_a 5.47812896
_cell_length_b 10.230362419999999
_cell_length_c 9.05647501
_cell_angle_alpha 89.99965499
_cell_angle_beta 90.00086354
_cell_angle_gamma 105.5279128
_sp... | data_image0
_chemical_formula_structural Ca4Ni4Ge8O24Ca4Ni4Ge8O24
_chemical_formula_sum "Ca8 Ni8 Ge16 O48"
_cell_length_a 5.47812896
_cell_length_b 10.230362419999999
_cell_length_c 18.11295002
_cell_angle_alpha 89.99965499
_cell_angle_beta 90.00086354
_cell_angle_gamma 10... |
SuperCellAction | 2845049d-450c-4402-86c3-605c8a020fb2 | mp-1218107 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Sr2Pr2Co2Ru2O12
_chemical_formula_sum "Sr2 Pr2 Co2 Ru2 O12"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr2Pr2Co2Ru2O12Sr2Pr2Co2Ru2O12Sr2Pr2Co2Ru2O12Sr2Pr2Co2Ru2O12Sr2Pr2Co2Ru2O12Sr2Pr2Co2Ru2O12Sr2Pr2Co2Ru2O12Sr2Pr2Co2Ru2O12
_chemical_formula_sum "Sr16 Pr16 Co16 Ru16 O96"
_cell_length_a 11.325258
_cell_length_b 5.612396
_cell_length_c 38.816475... |
SuperCellAction | bca5fd97-7516-4594-9ee8-48b771ac0c73 | mp-1104551 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural DyZn12
_chemical_formula_sum "Dy1 Zn12"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... | data_image0
_chemical_formula_structural DyZn12DyZn12DyZn12DyZn12DyZn12DyZn12DyZn12DyZn12
_chemical_formula_sum "Dy8 Zn96"
_cell_length_a 26.81382548
_cell_length_b 6.7034563700000005
_cell_length_c 13.40691274
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_... |
SuperCellAction | cbef438b-76c7-4cf0-b117-7ba4f4282274 | mp-1047012 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Ca4Nb4Ni2O16
_chemical_formula_sum "Ca4 Nb4 Ni2 O16"
_cell_length_a 9.95587492
_cell_length_b 9.95587492
_cell_length_c 5.48497163
_cell_angle_alpha 88.82553978000001
_cell_angle_beta 88.82553978000001
_cell_angle_gamma 36.909123379... | data_image0
_chemical_formula_structural Ca4Nb4Ni2O16Ca4Nb4Ni2O16Ca4Nb4Ni2O16Ca4Nb4Ni2O16Ca4Nb4Ni2O16Ca4Nb4Ni2O16Ca4Nb4Ni2O16Ca4Nb4Ni2O16
_chemical_formula_sum "Ca32 Nb32 Ni16 O128"
_cell_length_a 39.82349968
_cell_length_b 19.91174984
_cell_length_c 5.48497163
_cell_angle_alpha ... |
SuperCellAction | 865049c0-0525-4e7b-8876-127cef78f31c | mp-1017477 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural La2Mg12W2La2Mg12W2La2Mg12W2La2Mg12W2
_chemical_formula_sum "La8 Mg48 W8"
_cell_length_a 5.020477
_cell_length_b 25.730632
_cell_length_c 11.360022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | 1d0b1759-abaf-4d73-b06d-a0a653d60e48 | mp-1211269 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural La2Al20Ru4
_chemical_formula_sum "La2 Al20 Ru4"
_cell_length_a 6.86797254
_cell_length_b 6.86797254
_cell_length_c 9.16754248
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01280556000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La2Al20Ru4La2Al20Ru4La2Al20Ru4La2Al20Ru4La2Al20Ru4La2Al20Ru4
_chemical_formula_sum "La12 Al120 Ru24"
_cell_length_a 6.86797254
_cell_length_b 13.73594508
_cell_length_c 27.502627439999998
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | ce8be22b-a3d0-4143-9bb6-085cd736bbd1 | mp-1246779 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12
_chemical_formula_sum "Ba40 Hf16 N48"
_cell_length_a 13.52131626
_cell_length_b 14.95186538
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamm... |
SuperCellAction | 36dc75ad-1fb9-44c3-9528-f21c3587b2f2 | mp-731924 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural V4P4H20N4O24
_chemical_formula_sum "V4 P4 H20 N4 O24"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_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 V4P4H20N4O24V4P4H20N4O24V4P4H20N4O24V4P4H20N4O24V4P4H20N4O24V4P4H20N4O24V4P4H20N4O24V4P4H20N4O24
_chemical_formula_sum "V32 P32 H160 N32 O192"
_cell_length_a 27.517988
_cell_length_b 9.163433
_cell_length_c 19.327468
_cell_angle_alpha 90.0... |
SuperCellAction | 0891a41e-c27b-4909-9b16-c3db62cd64ef | mp-722271 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural H28Ru2S4N8O12
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural H28Ru2S4N8O12H28Ru2S4N8O12H28Ru2S4N8O12H28Ru2S4N8O12H28Ru2S4N8O12H28Ru2S4N8O12
_chemical_formula_sum "H168 Ru12 S24 N48 O72"
_cell_length_a 7.091792
_cell_length_b 18.945225
_cell_length_c 23.53376664
_cell_angle_alpha 65.59141609
_cell_an... |
SuperCellAction | 90427a0d-e6df-46a1-8d70-71ffca6c89d5 | mp-757164 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 2.913698
_cell_length_b 4.99117083
_cell_length_c 10.06131636
_cell_angle_alpha 91.12704374
_cell_angle_beta 91.30901448
_cell_angle_gamma 90.70872344
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn2Co2O8Li3Mn2Co2O8
_chemical_formula_sum "Li6 Mn4 Co4 O16"
_cell_length_a 2.913698
_cell_length_b 4.99117083
_cell_length_c 20.12263272
_cell_angle_alpha 91.12704374
_cell_angle_beta 91.30901448
_cell_angle_gamma 90.70872344
_s... |
SuperCellAction | addaf64d-edf1-4d3f-9545-5abc79ee0e81 | mp-698711 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Sr9NdFe5Mo5O30
_chemical_formula_sum "Sr9 Nd1 Fe5 Mo5 O30"
_cell_length_a 5.637495
_cell_length_b 9.79783622
_cell_length_c 12.74655048
_cell_angle_alpha 74.84030769
_cell_angle_beta 77.28271922
_cell_angle_gamma 73.31290808
_space... | data_image0
_chemical_formula_structural Sr9NdFe5Mo5O30Sr9NdFe5Mo5O30Sr9NdFe5Mo5O30Sr9NdFe5Mo5O30Sr9NdFe5Mo5O30Sr9NdFe5Mo5O30
_chemical_formula_sum "Sr54 Nd6 Fe30 Mo30 O180"
_cell_length_a 5.637495
_cell_length_b 29.39350866
_cell_length_c 25.49310096
_cell_angle_alpha 74.8403076... |
SuperCellAction | 7719e099-c174-42ee-bc9b-331eb9aef148 | mp-1017129 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Mg12Bi2Sb2
_chemical_formula_sum "Mg12 Bi2 Sb2"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_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 Mg12Bi2Sb2Mg12Bi2Sb2
_chemical_formula_sum "Mg24 Bi4 Sb4"
_cell_length_a 10.625068
_cell_length_b 6.518096
_cell_length_c 11.369786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SuperCellAction | a20280b9-aa9f-4f27-9fba-9928bd172c4b | mp-1366748 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Li4Cr2P4O14
_chemical_formula_sum "Li4 Cr2 P4 O14"
_cell_length_a 5.515163
_cell_length_b 6.44625524
_cell_length_c 8.97687023
_cell_angle_alpha 110.58169125
_cell_angle_beta 92.70962614000001
_cell_angle_gamma 106.39633941
_space_... | data_image0
_chemical_formula_structural Li4Cr2P4O14Li4Cr2P4O14Li4Cr2P4O14
_chemical_formula_sum "Li12 Cr6 P12 O42"
_cell_length_a 16.545489
_cell_length_b 6.44625524
_cell_length_c 8.97687023
_cell_angle_alpha 110.58169125
_cell_angle_beta 92.70962614000001
_cell_angle_gamma... |
SuperCellAction | 9e22bbbc-2d0a-4049-b9a9-5d188a41effb | mp-1227760 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Ca4Dy6Sb6O28
_chemical_formula_sum "Ca4 Dy6 Sb6 O28"
_cell_length_a 7.48616469
_cell_length_b 7.48616469
_cell_length_c 10.49413412
_cell_angle_alpha 88.7638551
_cell_angle_beta 88.7638551
_cell_angle_gamma 90.36135191
_space_group... | data_image0
_chemical_formula_structural Ca4Dy6Sb6O28Ca4Dy6Sb6O28Ca4Dy6Sb6O28Ca4Dy6Sb6O28
_chemical_formula_sum "Ca16 Dy24 Sb24 O112"
_cell_length_a 7.48616469
_cell_length_b 29.94465876
_cell_length_c 10.49413412
_cell_angle_alpha 88.7638551
_cell_angle_beta 88.7638551
_cell... |
SuperCellAction | 96929d45-a84b-4b08-b06e-029eed41617a | mp-1213886 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce8Tl8F40Ce8Tl8F40Ce8Tl8F40Ce8Tl8F40Ce8Tl8F40Ce8Tl8F40Ce8Tl8F40Ce8Tl8F40
_chemical_formula_sum "Ce64 Tl64 F320"
_cell_length_a 33.09453636
_cell_length_b 16.31536302
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | 9c619742-1ab3-4d42-8fbd-e9716cff9d02 | mp-33255 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Ni15O16
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_space_gr... | data_image0
_chemical_formula_structural Ni15O16Ni15O16Ni15O16Ni15O16
_chemical_formula_sum "Ni60 O64"
_cell_length_a 42.77661436
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.0480... |
SuperCellAction | b8b62ae5-46fe-4001-a1bd-b5ac11fdf155 | mp-29249 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 Ge8As8Se8Ge8As8Se8Ge8As8Se8Ge8As8Se8
_chemical_formula_sum "Ge32 As32 Se32"
_cell_length_a 20.35626176
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 2d263823-2ead-4abe-a283-370892590b4f | mp-1208926 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Sm4Ga18Ir6
_chemical_formula_sum "Sm4 Ga18 Ir6"
_cell_length_a 7.53738553
_cell_length_b 7.53738593
_cell_length_c 9.53524239
_cell_angle_alpha 90.00030669
_cell_angle_beta 90.00030257
_cell_angle_gamma 119.75825073
_space_group_na... | data_image0
_chemical_formula_structural Sm4Ga18Ir6Sm4Ga18Ir6
_chemical_formula_sum "Sm8 Ga36 Ir12"
_cell_length_a 7.53738553
_cell_length_b 15.07477186
_cell_length_c 9.53524239
_cell_angle_alpha 90.00030669
_cell_angle_beta 90.00030257
_cell_angle_gamma 119.75825073
_sp... |
SuperCellAction | dcabbe33-ffff-4d9c-8ccb-3720e65cfe85 | mp-1225219 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_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 EuAl8SiAu4EuAl8SiAu4
_chemical_formula_sum "Eu2 Al16 Si2 Au8"
_cell_length_a 8.589642
_cell_length_b 4.294821
_cell_length_c 14.472911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 7aaea0fd-d22c-4139-b853-91e42f463f0a | mp-6632 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Ca5B3O9F
_chemical_formula_sum "Ca5 B3 O9 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
_spac... | data_image0
_chemical_formula_structural Ca5B3O9FCa5B3O9FCa5B3O9FCa5B3O9FCa5B3O9FCa5B3O9F
_chemical_formula_sum "Ca30 B18 O54 F6"
_cell_length_a 9.00706173
_cell_length_b 18.01412346
_cell_length_c 10.608883919999998
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.203... |
SuperCellAction | 813962af-ac49-45e7-8e95-3f4567399ee6 | mp-21705 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural K8In12Ag4Se24
_chemical_formula_sum "K8 In12 Ag4 Se24"
_cell_length_a 8.29834724
_cell_length_b 8.29834746
_cell_length_c 21.383902849999995
_cell_angle_alpha 84.27447969000002
_cell_angle_beta 84.27447803
_cell_angle_gamma 89.88291... | data_image0
_chemical_formula_structural K8In12Ag4Se24K8In12Ag4Se24K8In12Ag4Se24K8In12Ag4Se24
_chemical_formula_sum "K32 In48 Ag16 Se96"
_cell_length_a 8.29834724
_cell_length_b 16.59669492
_cell_length_c 42.76780569999999
_cell_angle_alpha 84.27447969000002
_cell_angle_beta ... |
SuperCellAction | e2dbd068-d93b-4693-9049-69e18b3c62b0 | mp-754552 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Li3Mn4B4O12
_chemical_formula_sum "Li3 Mn4 B4 O12"
_cell_length_a 5.291494
_cell_length_b 6.20734319
_cell_length_c 7.842728
_cell_angle_alpha 79.14851024
_cell_angle_beta 87.42970977
_cell_angle_gamma 87.53834646
_space_group_name... | data_image0
_chemical_formula_structural Li3Mn4B4O12Li3Mn4B4O12Li3Mn4B4O12
_chemical_formula_sum "Li9 Mn12 B12 O36"
_cell_length_a 5.291494
_cell_length_b 6.20734319
_cell_length_c 23.528184
_cell_angle_alpha 79.14851024
_cell_angle_beta 87.42970977
_cell_angle_gamma 87.53... |
SuperCellAction | 2e01fb24-bd29-47ca-8bcb-b8ba9a015bad | mp-1214888 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O12AlZn2SbH12O12AlZn2SbH12O12AlZn2SbH12O12
_chemical_formula_sum "Al4 Zn8 Sb4 H48 O48"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 39.605224
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | ec6c67bf-d9f6-4f9f-a85c-d550adfff068 | mp-1233053 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural MgV8O8F8MgV8O8F8MgV8O8F8MgV8O8F8
_chemical_formula_sum "Mg4 V32 O32 F32"
_cell_length_a 9.85263174
_cell_length_b 21.04579272
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma ... |
SuperCellAction | 745c192b-6624-4a6e-985e-6aaff9e32cc6 | mp-2227274 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural MgW2Br4O4MgW2Br4O4
_chemical_formula_sum "Mg2 W4 Br8 O8"
_cell_length_a 3.90211479
_cell_length_b 15.765828959999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma ... |
SuperCellAction | 6c5c0457-b952-4c48-96f1-9b3c43ef5ea8 | mp-1191832 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 Na2Mo8O12Na2Mo8O12
_chemical_formula_sum "Na4 Mo16 O24"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 6.52552
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | b7d813a4-55f5-40ac-b813-658ea947be1c | mp-1200783 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural K4B24S16Cl24O32
_chemical_formula_sum "K4 B24 S16 Cl24 O32"
_cell_length_a 20.732491
_cell_length_b 9.842671
_cell_length_c 10.54402364
_cell_angle_alpha 79.37372503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural K4B24S16Cl24O32K4B24S16Cl24O32K4B24S16Cl24O32K4B24S16Cl24O32
_chemical_formula_sum "K16 B96 S64 Cl96 O128"
_cell_length_a 20.732491
_cell_length_b 9.842671
_cell_length_c 42.17609456
_cell_angle_alpha 79.37372503
_cell_angle_beta 90.0
... |
SuperCellAction | e75bd255-94f9-418f-a0d3-480938d3170d | mp-1219284 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural ScNbPb2O6
_chemical_formula_sum "Sc1 Nb1 Pb2 O6"
_cell_length_a 5.81839845
_cell_length_b 5.81839845
_cell_length_c 5.81839845
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural ScNbPb2O6ScNbPb2O6ScNbPb2O6ScNbPb2O6
_chemical_formula_sum "Sc4 Nb4 Pb8 O24"
_cell_length_a 23.2735938
_cell_length_b 5.81839845
_cell_length_c 5.81839845
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_ang... |
SuperCellAction | 70b437ef-1c01-4cf3-a9be-7c05c2339413 | mp-541520 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural K2V6Se4O24
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2V6Se4O24K2V6Se4O24K2V6Se4O24
_chemical_formula_sum "K6 V18 Se12 O72"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 35.796572999999995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635... |
SuperCellAction | 0aa87ace-48ed-4b04-8f1e-4f5fa74f774e | mp-558208 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural Rb4In4As8O28Rb4In4As8O28Rb4In4As8O28Rb4In4As8O28Rb4In4As8O28Rb4In4As8O28Rb4In4As8O28Rb4In4As8O28
_chemical_formula_sum "Rb32 In32 As64 O224"
_cell_length_a 15.99723
_cell_length_b 8.86373573
_cell_length_c 42.783069
_cell_angle_alpha 91.16... |
SuperCellAction | a08bcebd-590c-4df3-ba15-30ad3e8d9cae | mp-561165 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural V6Bi12O30
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V6Bi12O30V6Bi12O30V6Bi12O30V6Bi12O30V6Bi12O30V6Bi12O30
_chemical_formula_sum "V36 Bi72 O180"
_cell_length_a 11.26970933
_cell_length_b 33.80912799
_cell_length_c 10.93991
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 3927b4b0-61f7-4793-b0de-91e16198ffba | mp-16136 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14Sr3TaGa3Si2O14Sr3TaGa3Si2O14Sr3TaGa3Si2O14Sr3TaGa3Si2O14Sr3TaGa3Si2O14
_chemical_formula_sum "Sr18 Ta6 Ga18 Si12 O84"
_cell_length_a 8.41219425
_cell_length_b 16.8243885
_cell_length_c 15.388508999999999
_cell_angle_alpha 90.... |
SuperCellAction | 7dd37789-81e7-4b69-adab-bc3fbfc0dcf5 | mp-1178577 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Al4Fe4O12
_chemical_formula_sum "Al4 Fe4 O12"
_cell_length_a 4.96358685
_cell_length_b 4.963348700000001
_cell_length_c 9.494494210000001
_cell_angle_alpha 105.15160027000002
_cell_angle_beta 90.00137238
_cell_angle_gamma 119.998490... | data_image0
_chemical_formula_structural Al4Fe4O12Al4Fe4O12Al4Fe4O12Al4Fe4O12Al4Fe4O12Al4Fe4O12
_chemical_formula_sum "Al24 Fe24 O72"
_cell_length_a 4.96358685
_cell_length_b 9.926697400000002
_cell_length_c 28.483482629999997
_cell_angle_alpha 105.15160027000002
_cell_angle_beta... |
SuperCellAction | 37704264-baaf-4abe-92d0-b1dbfa9a1fc2 | mp-1234848 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural MgAg14Pb6O18
_chemical_formula_sum "Mg1 Ag14 Pb6 O18"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_space_gro... | data_image0
_chemical_formula_structural MgAg14Pb6O18MgAg14Pb6O18MgAg14Pb6O18MgAg14Pb6O18
_chemical_formula_sum "Mg4 Ag56 Pb24 O72"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 35.17279184
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell... |
SuperCellAction | 51b3dcd2-5617-472a-8d76-6c46a570a2cb | mp-1193201 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Gd12Se12N4
_chemical_formula_sum "Gd12 Se12 N4"
_cell_length_a 4.00144105
_cell_length_b 12.65259632
_cell_length_c 13.22567041
_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 Gd12Se12N4Gd12Se12N4Gd12Se12N4Gd12Se12N4Gd12Se12N4Gd12Se12N4Gd12Se12N4Gd12Se12N4
_chemical_formula_sum "Gd96 Se96 N32"
_cell_length_a 16.0057642
_cell_length_b 12.65259632
_cell_length_c 26.45134082
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 880f9c99-4fc8-4be1-a4e9-5b1d24678917 | mp-1192980 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Tb10In8Pd4
_chemical_formula_sum "Tb10 In8 Pd4"
_cell_length_a 8.06403957
_cell_length_b 18.26175944
_cell_length_c 3.648529
_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 Tb10In8Pd4Tb10In8Pd4Tb10In8Pd4Tb10In8Pd4
_chemical_formula_sum "Tb40 In32 Pd16"
_cell_length_a 16.12807914
_cell_length_b 36.52351888
_cell_length_c 3.648529
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SuperCellAction | 2c64b396-01a0-4d79-980f-9d7c25043675 | mp-1030516 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34368152
_cell_length_b 3.3436815200000005
_cell_length_c 38.056017
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999905
_space_group_na... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2Te2Mo2W2Se4S2Te2Mo2W2Se4S2Te2Mo2W2Se4S2Te2Mo2W2Se4S2Te2Mo2W2Se4S2
_chemical_formula_sum "Te12 Mo12 W12 Se24 S12"
_cell_length_a 6.68736304
_cell_length_b 3.3436815200000005
_cell_length_c 114.16805099999999
_cell_angle_alpha 9... |
SuperCellAction | 1631104c-548d-4c42-9b8f-cd56eac7c8f4 | mp-1111200 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural K2TlAsI6
_chemical_formula_sum "K2 Tl1 As1 I6"
_cell_length_a 8.68891116
_cell_length_b 8.68891116
_cell_length_c 8.68891116
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2TlAsI6K2TlAsI6K2TlAsI6
_chemical_formula_sum "K6 Tl3 As3 I18"
_cell_length_a 8.68891116
_cell_length_b 8.68891116
_cell_length_c 26.06673348
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
SuperCellAction | 14f7cff1-648e-4327-9b6b-6f81eb62862c | mp-545706 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Ca3Cu2Br2O4
_chemical_formula_sum "Ca3 Cu2 Br2 O4"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.838674... | data_image0
_chemical_formula_structural Ca3Cu2Br2O4Ca3Cu2Br2O4Ca3Cu2Br2O4
_chemical_formula_sum "Ca9 Cu6 Br6 O12"
_cell_length_a 36.80880678
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.807402
_cell_angle_gam... |
SuperCellAction | ac4e2d4e-5d84-4183-9f2a-0c2fd2cf039f | mp-1523289 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O12BaCaSn4O12BaCaSn4O12BaCaSn4O12BaCaSn4O12BaCaSn4O12BaCaSn4O12BaCaSn4O12
_chemical_formula_sum "Ba8 Ca8 Sn32 O96"
_cell_length_a 5.80842052
_cell_length_b 11.616841039999999
_cell_length_c 32.69046088
_cell_angle_alpha 90.0
_cell_a... |
SuperCellAction | 0f2f0179-c3da-42a5-8a5b-15cbdd23b595 | mp-559163 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4As8O28K4Fe4As8O28K4Fe4As8O28K4Fe4As8O28K4Fe4As8O28K4Fe4As8O28
_chemical_formula_sum "K24 Fe24 As48 O168"
_cell_length_a 7.830323
_cell_length_b 25.748192040000003
_cell_length_c 20.61809998
_cell_angle_alpha 89.8074159
_cell_angle_bet... |
SuperCellAction | 6deb7b25-97d5-4766-8b08-bc31ca57d905 | mp-1176298 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.943337
_cell_length_b 10.048640040000002
_cell_length_c 10.16174457
_cell_angle_alpha 107.81864797
_cell_angle_beta 90.88685677000001
_cell_angle_gamma 91.4144918... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li72 Mn16 Co40 O128"
_cell_length_a 5.886674
_cell_length_b 20.097280080000004
_cell_length_c 20.32348914
_cell_angle_alph... |
SuperCellAction | fef4f73d-cc1d-4517-8fa5-8b99a1d26d21 | mp-550300 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural RbNa7Co2O6
_chemical_formula_sum "Rb1 Na7 Co2 O6"
_cell_length_a 5.87513627
_cell_length_b 5.87513627
_cell_length_c 10.814337349999999
_cell_angle_alpha 88.75479323
_cell_angle_beta 88.75479323
_cell_angle_gamma 44.360227630000004
... | data_image0
_chemical_formula_structural RbNa7Co2O6RbNa7Co2O6RbNa7Co2O6RbNa7Co2O6RbNa7Co2O6RbNa7Co2O6RbNa7Co2O6RbNa7Co2O6
_chemical_formula_sum "Rb8 Na56 Co16 O48"
_cell_length_a 5.87513627
_cell_length_b 11.75027254
_cell_length_c 43.257349399999995
_cell_angle_alpha 88.75479323... |
SuperCellAction | 45cdac02-7d55-4e32-b6b5-744b00ba89d9 | mp-1208371 | Create a supercell with the size 1X3X2. | 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 Tl4N8Cl20O4Tl4N8Cl20O4Tl4N8Cl20O4Tl4N8Cl20O4Tl4N8Cl20O4Tl4N8Cl20O4
_chemical_formula_sum "Tl24 N48 Cl120 O24"
_cell_length_a 7.728223
_cell_length_b 32.755902000000006
_cell_length_c 33.415886
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | bb066c22-36b9-4c89-8412-e6e6e1a224e5 | mp-757215 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Gd5As2O12
_chemical_formula_sum "Gd5 As2 O12"
_cell_length_a 6.89701519
_cell_length_b 6.89701519
_cell_length_c 7.3787781
_cell_angle_alpha 74.46528271
_cell_angle_beta 74.46528271
_cell_angle_gamma 51.11359275000001
_space_group_... | data_image0
_chemical_formula_structural Gd5As2O12Gd5As2O12Gd5As2O12Gd5As2O12Gd5As2O12Gd5As2O12Gd5As2O12Gd5As2O12
_chemical_formula_sum "Gd40 As16 O96"
_cell_length_a 13.79403038
_cell_length_b 6.89701519
_cell_length_c 29.5151124
_cell_angle_alpha 74.46528271
_cell_angle_beta ... |
SuperCellAction | cce49967-5237-4d4b-a644-6f72d9f2b5ab | mp-22244 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Gd2Cr2O8
_chemical_formula_sum "Gd2 Cr2 O8"
_cell_length_a 5.98567858
_cell_length_b 5.985658249999999
_cell_length_c 5.985555230000001
_cell_angle_alpha 106.16209605
_cell_angle_beta 106.16227016999999
_cell_angle_gamma 116.3140512... | data_image0
_chemical_formula_structural Gd2Cr2O8Gd2Cr2O8Gd2Cr2O8Gd2Cr2O8Gd2Cr2O8Gd2Cr2O8Gd2Cr2O8Gd2Cr2O8
_chemical_formula_sum "Gd16 Cr16 O64"
_cell_length_a 11.97135716
_cell_length_b 5.985658249999999
_cell_length_c 23.942220920000004
_cell_angle_alpha 106.16209605
_cell_angle... |
SuperCellAction | d8192a8d-36db-46fd-b4c0-b78dc90207fb | mp-643934 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Cu2H4C4O8
_chemical_formula_sum "Cu2 H4 C4 O8"
_cell_length_a 7.982289
_cell_length_b 6.326653
_cell_length_c 8.09958624
_cell_angle_alpha 78.7284835
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cu2H4C4O8Cu2H4C4O8Cu2H4C4O8Cu2H4C4O8Cu2H4C4O8Cu2H4C4O8Cu2H4C4O8Cu2H4C4O8
_chemical_formula_sum "Cu16 H32 C32 O64"
_cell_length_a 7.982289
_cell_length_b 12.653306
_cell_length_c 32.39834496
_cell_angle_alpha 78.7284835
_cell_angle_beta ... |
SuperCellAction | af220be0-ec7f-4e77-a7d8-f868a260a1a8 | mp-1667139 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28Na4Li8Fe4P4C4O28Na4Li8Fe4P4C4O28Na4Li8Fe4P4C4O28Na4Li8Fe4P4C4O28Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na24 Li48 Fe24 P24 C24 O168"
_cell_length_a 15.191595959999999
_cell_length_b 22.4496504
_cell_length_c 10.67264271
_cell_... |
SuperCellAction | ffb17455-1783-4995-8275-e645ef2d883e | mp-1508 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 La8S16La8S16La8S16La8S16La8S16La8S16
_chemical_formula_sum "La48 S96"
_cell_length_a 8.31854654
_cell_length_b 24.531701220000002
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 96c58b16-9116-4e49-983e-49d6589d7c45 | mp-759889 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 9.01812527
_cell_length_b 9.01812527
_cell_length_c 9.862150509999998
_cell_angle_alpha 56.81618735
_cell_angle_beta 56.816187349999986
_cell_angle_gamma 71.85790404
_... | data_image0
_chemical_formula_structural Li8V4C8O24Li8V4C8O24Li8V4C8O24
_chemical_formula_sum "Li24 V12 C24 O72"
_cell_length_a 27.054375810000003
_cell_length_b 9.01812527
_cell_length_c 9.862150509999998
_cell_angle_alpha 56.81618735
_cell_angle_beta 56.816187349999986
_cel... |
SuperCellAction | e1c45ce7-69fc-4350-b05d-908053fb4d39 | mp-29249 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 Ge8As8Se8Ge8As8Se8Ge8As8Se8Ge8As8Se8Ge8As8Se8Ge8As8Se8Ge8As8Se8Ge8As8Se8
_chemical_formula_sum "Ge64 As64 Se64"
_cell_length_a 10.17813088
_cell_length_b 20.5053881
_cell_length_c 24.83161064
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 29546574-f971-4719-adf5-95f2cd879021 | mp-1178619 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl8O32Zr2Cl8O32Zr2Cl8O32Zr2Cl8O32Zr2Cl8O32Zr2Cl8O32
_chemical_formula_sum "Zr12 Cl48 O192"
_cell_length_a 24.81300939
_cell_length_b 16.54200626
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_... |
SuperCellAction | e866cec8-a856-4377-bb16-072bcd309f3b | mp-1072993 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.42959707
_cell_length_b 5.429597070000001
_cell_length_c 18.53523443
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_gamma 41.3923071800000... | data_image0
_chemical_formula_structural Mg8Si12Mg8Si12Mg8Si12Mg8Si12
_chemical_formula_sum "Mg32 Si48"
_cell_length_a 5.42959707
_cell_length_b 10.859194140000001
_cell_length_c 37.07046886
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_ga... |
SuperCellAction | 02357e87-03c6-4bef-a769-39ecec73d1e6 | mp-776005 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Li4FeBiTe2O12
_chemical_formula_sum "Li4 Fe1 Bi1 Te2 O12"
_cell_length_a 5.24111
_cell_length_b 5.499534170000001
_cell_length_c 7.6237615
_cell_angle_alpha 86.09602721999998
_cell_angle_beta 89.98108368
_cell_angle_gamma 89.7893311... | data_image0
_chemical_formula_structural Li4FeBiTe2O12Li4FeBiTe2O12Li4FeBiTe2O12Li4FeBiTe2O12Li4FeBiTe2O12Li4FeBiTe2O12
_chemical_formula_sum "Li24 Fe6 Bi6 Te12 O72"
_cell_length_a 10.48222
_cell_length_b 5.499534170000001
_cell_length_c 22.871284499999998
_cell_angle_alpha 86.09... |
SuperCellAction | c83120a7-6bd3-47dd-886d-2f84f465dc3d | mp-723254 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma 119.76... | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48Na11Zr8Si7P5O48Na11Zr8Si7P5O48Na11Zr8Si7P5O48Na11Zr8Si7P5O48Na11Zr8Si7P5O48
_chemical_formula_sum "Na66 Zr48 Si42 P30 O288"
_cell_length_a 9.14653
_cell_length_b 18.32094204
_cell_length_c 48.64339016999999
_cell_angle_alpha ... |
SuperCellAction | 97cd75f6-116d-4b3f-a2c6-cf0fc8754fa4 | mp-1112440 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural K2AlAuCl6
_chemical_formula_sum "K2 Al1 Au1 Cl6"
_cell_length_a 7.1909408
_cell_length_b 7.1909408
_cell_length_c 7.1909408
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2AlAuCl6K2AlAuCl6K2AlAuCl6
_chemical_formula_sum "K6 Al3 Au3 Cl18"
_cell_length_a 7.1909408
_cell_length_b 21.572822400000003
_cell_length_c 7.1909408
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_... |
SuperCellAction | a8beea71-5c94-46a5-8a23-0f4022113afe | mp-1224356 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural Ge5Te4SeGe5Te4SeGe5Te4SeGe5Te4Se
_chemical_formula_sum "Ge20 Te16 Se4"
_cell_length_a 30.78884664
_cell_length_b 15.394423320000001
_cell_length_c 30.788846640000003
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_c... |
SuperCellAction | a3e65562-46d7-4efa-8c8d-4f5f086894da | mp-1147652 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Ho2Mn4O8
_chemical_formula_sum "Ho2 Mn4 O8"
_cell_length_a 6.46878885
_cell_length_b 6.46878885
_cell_length_c 6.252995219999999
_cell_angle_alpha 61.512189039999996
_cell_angle_beta 61.512189039999996
_cell_angle_gamma 57.256611459... | data_image0
_chemical_formula_structural Ho2Mn4O8Ho2Mn4O8Ho2Mn4O8Ho2Mn4O8Ho2Mn4O8Ho2Mn4O8Ho2Mn4O8Ho2Mn4O8
_chemical_formula_sum "Ho16 Mn32 O64"
_cell_length_a 12.9375777
_cell_length_b 6.46878885
_cell_length_c 25.011980879999996
_cell_angle_alpha 61.512189039999996
_cell_angle_b... |
SuperCellAction | c1e0fbe2-1729-4366-910e-9ce422e207e5 | mp-770592 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_space_group... | data_image0
_chemical_formula_structural Mn8P4O20Mn8P4O20Mn8P4O20Mn8P4O20Mn8P4O20Mn8P4O20
_chemical_formula_sum "Mn48 P24 O120"
_cell_length_a 7.30761921
_cell_length_b 14.615238419999999
_cell_length_c 29.221408289999996
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.5556... |
SuperCellAction | 7a5a0638-1187-4305-946b-f7aa4f6c4e0c | mp-758001 | Create a supercell with the size 2×4×1. | 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 37.704556
_cell_length_c 12.017675
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 93ad7c90-e801-408a-a2bd-78999e7f2602 | mp-672256 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Y20Ga12
_chemical_formula_sum "Y20 Ga12"
_cell_length_a 7.6455743
_cell_length_b 7.6455743
_cell_length_c 14.16449461
_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 Y20Ga12Y20Ga12Y20Ga12Y20Ga12
_chemical_formula_sum "Y80 Ga48"
_cell_length_a 30.5822972
_cell_length_b 7.6455743
_cell_length_c 14.16449461
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | 2344010e-dd39-4e9d-8933-ff87807b73e5 | mp-1096957 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 Cr24N48Cr24N48Cr24N48
_chemical_formula_sum "Cr72 N144"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 87.453834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SuperCellAction | b7854cce-ed2e-494e-954d-ea4202b6a09f | mp-935148 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Mg20Zn35
_chemical_formula_sum "Mg20 Zn35"
_cell_length_a 13.15153151
_cell_length_b 13.151531510000002
_cell_length_c 14.14062752
_cell_angle_alpha 77.68749914
_cell_angle_beta 77.68749914
_cell_angle_gamma 23.190281420000012
_spa... | data_image0
_chemical_formula_structural Mg20Zn35Mg20Zn35Mg20Zn35
_chemical_formula_sum "Mg60 Zn105"
_cell_length_a 13.15153151
_cell_length_b 39.45459453
_cell_length_c 14.14062752
_cell_angle_alpha 77.68749914
_cell_angle_beta 77.68749914
_cell_angle_gamma 23.19028142000... |
SuperCellAction | eaaa1074-dac7-4886-8eef-e23c8305fd4b | mp-755023 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... | data_image0
_chemical_formula_structural Mg2Mn3O8Mg2Mn3O8Mg2Mn3O8Mg2Mn3O8Mg2Mn3O8Mg2Mn3O8Mg2Mn3O8Mg2Mn3O8
_chemical_formula_sum "Mg16 Mn24 O64"
_cell_length_a 11.64859004
_cell_length_b 11.64859004
_cell_length_c 9.6089129
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06... |
SuperCellAction | 6606e0fd-05cb-4a42-8fad-89ca555e72dd | mp-1105449 | Create a supercell with the size 3x1x2. | 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 23.267781
_cell_length_b 6.911998
_cell_length_c 20.71015978
_cell_angle_alpha 88.99944141999998
_cell_angle... |
SuperCellAction | 643677b4-bee0-4e0d-8341-a937b5e2d0cf | mp-1178408 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf4O12Cs8Hf4O12Cs8Hf4O12Cs8Hf4O12Cs8Hf4O12Cs8Hf4O12Cs8Hf4O12Cs8Hf4O12
_chemical_formula_sum "Cs64 Hf32 O96"
_cell_length_a 13.017994
_cell_length_b 14.587921139999999
_cell_length_c 29.075458
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 2b090953-56e8-4f88-be88-50012e019ace | mp-1569720 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si4Ni2O12Li4Si4Ni2O12Li4Si4Ni2O12Li4Si4Ni2O12
_chemical_formula_sum "Li16 Si16 Ni8 O48"
_cell_length_a 5.12306407
_cell_length_b 41.72177392
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576... |
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