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 | ef1fddee-13ac-4cad-ba39-fa4fb9f9661a | mp-27013 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li18V6P16O58Li18V6P16O58Li18V6P16O58Li18V6P16O58Li18V6P16O58Li18V6P16O58
_chemical_formula_sum "Li108 V36 P96 O348"
_cell_length_a 29.646079139999998
_cell_length_b 19.764052760000002
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_a... |
SuperCellAction | 2f2c6370-569e-4790-93cb-24eb7e597f2c | mp-504385 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48Li12Fe8P12O48Li12Fe8P12O48Li12Fe8P12O48
_chemical_formula_sum "Li48 Fe32 P48 O192"
_cell_length_a 17.598084
_cell_length_b 16.943828
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 2fd5f1fb-2bc9-4255-b271-ce47ef2ca6dc | mp-1212483 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28
_chemical_formula_sum "Hg64 P16 H16 N16 O112"
_cell_length_a 6.12443421
_cell_length_b 16.636404
_cell_length_c 38.70883628
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_... |
SuperCellAction | 106e2c9b-a26a-40df-869e-792146d4a805 | mp-613 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Te4Pd6Te4Pd6Te4Pd6Te4Pd6Te4Pd6Te4Pd6Te4Pd6Te4Pd6
_chemical_formula_sum "Te32 Pd48"
_cell_length_a 7.79482028
_cell_length_b 26.691441480000005
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 78e94930-86f1-4f6f-a543-51f8fbdcfb70 | mp-2217356 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2YMgBiO6Ba2YMgBiO6Ba2YMgBiO6
_chemical_formula_sum "Ba6 Y3 Mg3 Bi3 O18"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 21.17775711
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angl... |
SuperCellAction | d82e3842-6913-44cf-b276-dddcee96241d | mp-1044828 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Ca6Sn12O24
_chemical_formula_sum "Ca6 Sn12 O24"
_cell_length_a 6.90739232
_cell_length_b 6.9073923200000005
_cell_length_c 16.91513194
_cell_angle_alpha 89.50690369
_cell_angle_beta 89.50690369
_cell_angle_gamma 56.98103381
_space_... | data_image0
_chemical_formula_structural Ca6Sn12O24Ca6Sn12O24Ca6Sn12O24Ca6Sn12O24
_chemical_formula_sum "Ca24 Sn48 O96"
_cell_length_a 6.90739232
_cell_length_b 13.814784640000001
_cell_length_c 33.83026388
_cell_angle_alpha 89.50690369
_cell_angle_beta 89.50690369
_cell_angl... |
SuperCellAction | 3b46a845-62bc-4703-bd6a-1d0a16802240 | mp-2218385 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural MgMn4O4F4MgMn4O4F4MgMn4O4F4MgMn4O4F4MgMn4O4F4MgMn4O4F4MgMn4O4F4MgMn4O4F4
_chemical_formula_sum "Mg8 Mn32 O32 F32"
_cell_length_a 10.4621555
_cell_length_b 6.15354861
_cell_length_c 20.69801608
_cell_angle_alpha 86.91425333000001
_cell_angl... |
SuperCellAction | 0d3fad12-4d9a-499f-926e-86bf421500c4 | mp-972121 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural TmAl8Cr4
_chemical_formula_sum "Tm1 Al8 Cr4"
_cell_length_a 6.77139271
_cell_length_b 6.77139271
_cell_length_c 6.77139271
_cell_angle_alpha 97.9981911
_cell_angle_beta 97.9981911
_cell_angle_gamma 136.19636589999996
_space_group_n... | data_image0
_chemical_formula_structural TmAl8Cr4TmAl8Cr4TmAl8Cr4TmAl8Cr4TmAl8Cr4TmAl8Cr4TmAl8Cr4TmAl8Cr4
_chemical_formula_sum "Tm8 Al64 Cr32"
_cell_length_a 13.54278542
_cell_length_b 6.77139271
_cell_length_c 27.08557084
_cell_angle_alpha 97.9981911
_cell_angle_beta 97.998... |
SuperCellAction | 58c587f2-c156-423d-be2e-9ff72f6314c9 | mp-720255 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Sr20P12ClO48F3
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023196699... | data_image0
_chemical_formula_structural Sr20P12ClO48F3Sr20P12ClO48F3Sr20P12ClO48F3
_chemical_formula_sum "Sr60 P36 Cl3 O144 F9"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 51.462255510000006
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.0006579... |
SuperCellAction | 6e26ac0a-8d55-40d9-9e60-4be5d650fb95 | mp-1210947 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O16Lu2Ag2W4O16Lu2Ag2W4O16Lu2Ag2W4O16Lu2Ag2W4O16Lu2Ag2W4O16
_chemical_formula_sum "Lu12 Ag12 W24 O96"
_cell_length_a 14.60546812
_cell_length_b 21.908202179999996
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_be... |
SuperCellAction | 33aa28a6-7e11-4090-b312-1d1223b4b4ff | mp-720430 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... | data_image0
_chemical_formula_structural Ca2B6H14O18Ca2B6H14O18Ca2B6H14O18Ca2B6H14O18Ca2B6H14O18Ca2B6H14O18Ca2B6H14O18Ca2B6H14O18
_chemical_formula_sum "Ca16 B48 H112 O144"
_cell_length_a 13.044238
_cell_length_b 6.67307652
_cell_length_c 33.73122108
_cell_angle_alpha 86.77136285... |
SuperCellAction | deacb6e6-caa5-429d-85a4-706d6137e785 | mp-1194492 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al4Te2S2O18Al4Te2S2O18
_chemical_formula_sum "Al8 Te4 S4 O36"
_cell_length_a 19.067344
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 279f5eb6-8852-46f7-883b-b90d3fe6cd4e | mp-1518832 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_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 Ba4Na4Pr4Nb4O24Ba4Na4Pr4Nb4O24Ba4Na4Pr4Nb4O24Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba16 Na16 Pr16 Nb16 O96"
_cell_length_a 34.54963528
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | 4a8159f1-5f75-464a-af26-c7fc596d5c69 | mp-1223055 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural La8Mg2Cr6O24
_chemical_formula_sum "La8 Mg2 Cr6 O24"
_cell_length_a 7.86161243
_cell_length_b 7.914223340000001
_cell_length_c 7.87884488
_cell_angle_alpha 89.97539867
_cell_angle_beta 89.95009291
_cell_angle_gamma 89.67831836
_spa... | data_image0
_chemical_formula_structural La8Mg2Cr6O24La8Mg2Cr6O24La8Mg2Cr6O24
_chemical_formula_sum "La24 Mg6 Cr18 O72"
_cell_length_a 7.86161243
_cell_length_b 23.742670020000002
_cell_length_c 7.87884488
_cell_angle_alpha 89.97539867
_cell_angle_beta 89.95009291
_cell_angle... |
SuperCellAction | f30d5345-6017-4a04-8588-563020fd19dd | mp-19140 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K12Mn4O16K12Mn4O16
_chemical_formula_sum "K24 Mn8 O32"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 18.987444079999996
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.379... |
SuperCellAction | 374e19d5-a909-4615-bfa3-e95497bb84db | mp-1205609 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Pr2P2Os4C2
_chemical_formula_sum "Pr2 P2 Os4 C2"
_cell_length_a 5.87434922
_cell_length_b 5.87434922
_cell_length_c 7.147218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.53883479
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Pr2P2Os4C2Pr2P2Os4C2Pr2P2Os4C2Pr2P2Os4C2
_chemical_formula_sum "Pr8 P8 Os16 C8"
_cell_length_a 11.74869844
_cell_length_b 11.74869844
_cell_length_c 7.147218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.5388347... |
SuperCellAction | f68bb974-5278-4d43-a9c1-bfae6abded84 | mp-23675 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 H8Br2N2H8Br2N2H8Br2N2H8Br2N2H8Br2N2H8Br2N2
_chemical_formula_sum "H48 Br12 N12"
_cell_length_a 12.320186849999999
_cell_length_b 5.7148727
_cell_length_c 11.4297454
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | 0e48e5f1-ddfe-4352-b15e-f0b7fc8de9f4 | mp-780891 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... | data_image0
_chemical_formula_structural Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2
_chemical_formula_sum "Fe64 O112 F16"
_cell_length_a 14.39261154
_cell_length_b 7.19630577
_cell_length_c 22.076324679999995
_cell_angle_alpha 71.83725514
_cell_angle_beta ... |
SuperCellAction | 790205b9-cd87-4725-9c55-04e6053244a0 | mp-558102 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O10K2Li2Si4O10K2Li2Si4O10
_chemical_formula_sum "K6 Li6 Si12 O30"
_cell_length_a 4.874509
_cell_length_b 18.2541
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 04ac74f4-ba02-4aa9-b2f3-09c8bf0ab45b | mp-1020147 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Na8Mg8P12N4O36
_chemical_formula_sum "Na8 Mg8 P12 N4 O36"
_cell_length_a 9.352436
_cell_length_b 9.352436
_cell_length_c 9.352436
_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 Na8Mg8P12N4O36Na8Mg8P12N4O36Na8Mg8P12N4O36Na8Mg8P12N4O36Na8Mg8P12N4O36Na8Mg8P12N4O36Na8Mg8P12N4O36Na8Mg8P12N4O36
_chemical_formula_sum "Na64 Mg64 P96 N32 O288"
_cell_length_a 18.704872
_cell_length_b 18.704872
_cell_length_c 18.704872
_cell_a... |
SuperCellAction | 92a29ad5-f15c-43ef-b8af-95f801997add | mp-2217356 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2YMgBiO6Ba2YMgBiO6Ba2YMgBiO6Ba2YMgBiO6Ba2YMgBiO6Ba2YMgBiO6Ba2YMgBiO6Ba2YMgBiO6
_chemical_formula_sum "Ba16 Y8 Mg8 Bi8 O48"
_cell_length_a 6.33993301
_cell_length_b 25.356373719999997
_cell_length_c 14.11850474
_cell_angle_alpha 63.478999... |
SuperCellAction | 55c12d5a-6bf0-4d88-b7db-d073b238855c | mp-778157 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Fe10O6F14
_chemical_formula_sum "Fe10 O6 F14"
_cell_length_a 4.78456862
_cell_length_b 4.783618090000001
_cell_length_c 15.727625559999998
_cell_angle_alpha 89.83781460999998
_cell_angle_beta 90.05519869
_cell_angle_gamma 90.4524454... | data_image0
_chemical_formula_structural Fe10O6F14Fe10O6F14Fe10O6F14Fe10O6F14Fe10O6F14Fe10O6F14Fe10O6F14Fe10O6F14
_chemical_formula_sum "Fe80 O48 F112"
_cell_length_a 4.78456862
_cell_length_b 9.567236180000002
_cell_length_c 62.91050223999999
_cell_angle_alpha 89.83781460999998
... |
SuperCellAction | d005c02a-dfff-450e-9e01-fa51dfec1a18 | 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 | f12cca49-5900-4aa2-8598-0346c06a7a1e | mp-777349 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn6O6F6Mn6O6F6Mn6O6F6Mn6O6F6Mn6O6F6Mn6O6F6Mn6O6F6Mn6O6F6
_chemical_formula_sum "Mn48 O48 F48"
_cell_length_a 4.670662
_cell_length_b 22.781655319999995
_cell_length_c 15.55878494
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.016786... |
SuperCellAction | 250b86db-45ac-4294-af04-f95bacd302f4 | mp-1214002 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce3P6Pd20Ce3P6Pd20Ce3P6Pd20Ce3P6Pd20Ce3P6Pd20Ce3P6Pd20Ce3P6Pd20Ce3P6Pd20
_chemical_formula_sum "Ce24 P48 Pd160"
_cell_length_a 17.39699726
_cell_length_b 34.7945166
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_... |
SuperCellAction | 972eb473-bbec-40ab-b9e3-3d2460d1d9a2 | mp-27772 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Nb6I16
_chemical_formula_sum "Nb6 I16"
_cell_length_a 15.08258044
_cell_length_b 15.08258044
_cell_length_c 15.08257981
_cell_angle_alpha 29.57353376000001
_cell_angle_beta 29.573533759999997
_cell_angle_gamma 29.57353019999999
_sp... | data_image0
_chemical_formula_structural Nb6I16Nb6I16Nb6I16Nb6I16
_chemical_formula_sum "Nb24 I64"
_cell_length_a 30.16516088
_cell_length_b 15.08258044
_cell_length_c 30.16515962
_cell_angle_alpha 29.57353376000001
_cell_angle_beta 29.573533759999997
_cell_angle_gamma 29.... |
SuperCellAction | 4cc2896d-a252-4006-9468-30737b21af6d | mp-866812 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural U2Ta4S12Cl12O2
_chemical_formula_sum "U2 Ta4 S12 Cl12 O2"
_cell_length_a 6.986233
_cell_length_b 9.6792223
_cell_length_c 12.87159687
_cell_angle_alpha 84.14986946999998
_cell_angle_beta 83.15207639999998
_cell_angle_gamma 88.786650... | data_image0
_chemical_formula_structural U2Ta4S12Cl12O2U2Ta4S12Cl12O2U2Ta4S12Cl12O2U2Ta4S12Cl12O2U2Ta4S12Cl12O2U2Ta4S12Cl12O2U2Ta4S12Cl12O2U2Ta4S12Cl12O2
_chemical_formula_sum "U16 Ta32 S96 Cl96 O16"
_cell_length_a 13.972466
_cell_length_b 38.7168892
_cell_length_c 12.87159687
_cell... |
SuperCellAction | 3dff62b9-d4e2-4412-b0f5-37ec873a5bb0 | mp-753734 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12
_chemical_formula_sum "Mn24 Cr12 O72"
_cell_length_a 15.230804549999998
_cell_length_b 10.1538697
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | 54af9b9a-26ec-4e03-aafd-495ec0f58a09 | mp-17256 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... | data_image0
_chemical_formula_structural Rb4Hf6O2F24Rb4Hf6O2F24Rb4Hf6O2F24Rb4Hf6O2F24Rb4Hf6O2F24Rb4Hf6O2F24Rb4Hf6O2F24Rb4Hf6O2F24
_chemical_formula_sum "Rb32 Hf48 O16 F192"
_cell_length_a 43.3488108
_cell_length_b 10.837202699999999
_cell_length_c 21.67440622
_cell_angle_alpha 41... |
SuperCellAction | c505edc9-ec08-42d1-8552-e334ed3947ed | mp-777845 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Fe6O5F7
_chemical_formula_sum "Fe6 O5 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_name... | data_image0
_chemical_formula_structural Fe6O5F7Fe6O5F7Fe6O5F7Fe6O5F7Fe6O5F7Fe6O5F7Fe6O5F7Fe6O5F7
_chemical_formula_sum "Fe48 O40 F56"
_cell_length_a 22.664608
_cell_length_b 11.411149500000002
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.992283... |
SuperCellAction | 2b5e86c1-d138-4861-9883-b831f2730548 | mp-765689 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Li8Co6O4F12
_chemical_formula_sum "Li8 Co6 O4 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.16652366999999
... | data_image0
_chemical_formula_structural Li8Co6O4F12Li8Co6O4F12Li8Co6O4F12Li8Co6O4F12Li8Co6O4F12Li8Co6O4F12Li8Co6O4F12Li8Co6O4F12
_chemical_formula_sum "Li64 Co48 O32 F96"
_cell_length_a 21.0553662
_cell_length_b 11.8865059
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268... |
SuperCellAction | 690ec82b-934b-4af2-aeeb-6c71594b8057 | mp-1192677 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI13Cs4Pr6OsI13
_chemical_formula_sum "Cs8 Pr12 Os2 I26"
_cell_length_a 10.15150394
_cell_length_b 20.303007879999996
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma ... |
SuperCellAction | 8894ad27-7ad5-42fa-901b-cad824fe19c5 | mp-1336779 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20Fe10S40Lu20Fe10S40Lu20Fe10S40Lu20Fe10S40
_chemical_formula_sum "Lu80 Fe40 S160"
_cell_length_a 15.121192
_cell_length_b 7.682109979999999
_cell_length_c 62.07755918000001
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.2134... |
SuperCellAction | 887aa672-c3a7-4813-bbbf-b75fc9278f85 | mp-1200075 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523140... | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2H26Pt2C6N6Cl4O2H26Pt2C6N6Cl4O2H26Pt2C6N6Cl4O2
_chemical_formula_sum "H104 Pt8 C24 N24 Cl16 O8"
_cell_length_a 6.42302
_cell_length_b 14.49286094
_cell_length_c 24.149745540000005
_cell_angle_alpha 105.79134456
_cell_angle_be... |
SuperCellAction | 62c61394-73ef-4661-b6a2-e2c1a6514cec | mp-28684 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Sb14Se16F70
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sb14Se16F70Sb14Se16F70Sb14Se16F70Sb14Se16F70Sb14Se16F70Sb14Se16F70Sb14Se16F70Sb14Se16F70
_chemical_formula_sum "Sb112 Se128 F560"
_cell_length_a 13.914392
_cell_length_b 45.678368
_cell_length_c 31.83933752
_cell_angle_alpha 47.74821002999... |
SuperCellAction | 7cc4c9bc-3715-4eb7-bbf3-f2dc9ed195bd | mp-2228398 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural MgCo6O9F3
_chemical_formula_sum "Mg1 Co6 O9 F3"
_cell_length_a 4.96812265
_cell_length_b 4.97965833
_cell_length_c 8.61320675
_cell_angle_alpha 89.06827837
_cell_angle_beta 91.67215628
_cell_angle_gamma 102.36653829000001
_space_gr... | data_image0
_chemical_formula_structural MgCo6O9F3MgCo6O9F3
_chemical_formula_sum "Mg2 Co12 O18 F6"
_cell_length_a 4.96812265
_cell_length_b 9.95931666
_cell_length_c 8.61320675
_cell_angle_alpha 89.06827837
_cell_angle_beta 91.67215628
_cell_angle_gamma 102.36653829000001... |
SuperCellAction | 35f7497f-bdbb-435c-9998-fd689d1f2cf3 | mp-1095109 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Ba2BiIrO6
_chemical_formula_sum "Ba2 Bi1 Ir1 O6"
_cell_length_a 6.07830403
_cell_length_b 6.07830403
_cell_length_c 6.078304029999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Ba2BiIrO6Ba2BiIrO6
_chemical_formula_sum "Ba4 Bi2 Ir2 O12"
_cell_length_a 6.07830403
_cell_length_b 6.07830403
_cell_length_c 12.156608059999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma... |
SuperCellAction | 8b0aa996-d99f-437b-837d-d66712733037 | mp-1226415 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... | data_image0
_chemical_formula_structural Co4Mo4O19Co4Mo4O19Co4Mo4O19Co4Mo4O19Co4Mo4O19Co4Mo4O19Co4Mo4O19Co4Mo4O19
_chemical_formula_sum "Co32 Mo32 O152"
_cell_length_a 6.872225
_cell_length_b 27.77693592
_cell_length_c 18.85548258
_cell_angle_alpha 76.97480465
_cell_angle_beta ... |
SuperCellAction | f1746f08-2250-4dc7-a49c-fc087259a734 | mp-603241 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe4Si16O40Ba4Fe4Si16O40Ba4Fe4Si16O40Ba4Fe4Si16O40Ba4Fe4Si16O40Ba4Fe4Si16O40Ba4Fe4Si16O40Ba4Fe4Si16O40
_chemical_formula_sum "Ba32 Fe32 Si128 O320"
_cell_length_a 21.77577194
_cell_length_b 10.88786546
_cell_length_c 44.5486092
_cell_angle_... |
SuperCellAction | e8c9eb3e-e72e-49f3-b277-95f4fda38a53 | mp-561286 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn20S20Zn20S20Zn20S20Zn20S20Zn20S20Zn20S20Zn20S20Zn20S20
_chemical_formula_sum "Zn160 S160"
_cell_length_a 3.80866991
_cell_length_b 7.617339799999999
_cell_length_c 249.05541396
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | b35d682f-91cd-4bc5-a362-40898faceb38 | mp-27197 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Na8As4O14
_chemical_formula_sum "Na8 As4 O14"
_cell_length_a 5.84356663
_cell_length_b 5.843566630000001
_cell_length_c 12.222710270000002
_cell_angle_alpha 88.52213325999999
_cell_angle_beta 88.52213325999999
_cell_angle_gamma 118.... | data_image0
_chemical_formula_structural Na8As4O14Na8As4O14Na8As4O14Na8As4O14
_chemical_formula_sum "Na32 As16 O56"
_cell_length_a 11.68713326
_cell_length_b 5.843566630000001
_cell_length_c 24.445420540000004
_cell_angle_alpha 88.52213325999999
_cell_angle_beta 88.5221332599... |
SuperCellAction | 73ea00b5-4244-437f-80ea-105af63aed81 | mp-1210214 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Nb4Bi4O18Na2Nb4Bi4O18Na2Nb4Bi4O18Na2Nb4Bi4O18Na2Nb4Bi4O18Na2Nb4Bi4O18Na2Nb4Bi4O18Na2Nb4Bi4O18
_chemical_formula_sum "Na16 Nb32 Bi32 O144"
_cell_length_a 11.17046
_cell_length_b 22.703976
_cell_length_c 12.54198163
_cell_angle_alpha 90.0... |
SuperCellAction | 38125004-762f-4edb-8d4b-fc13940ecd3a | mp-690490 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 Ti4V4O16Ti4V4O16Ti4V4O16Ti4V4O16Ti4V4O16Ti4V4O16
_chemical_formula_sum "Ti24 V24 O96"
_cell_length_a 9.010041000000001
_cell_length_b 6.46329963
_cell_length_c 25.9991878
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 1511fa48-e377-476b-becd-1db2fcdb2c6d | mp-510 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta16O32Ta16O32Ta16O32Ta16O32Ta16O32Ta16O32
_chemical_formula_sum "Ta96 O192"
_cell_length_a 30.682803930000002
_cell_length_b 20.45520262
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle... |
SuperCellAction | a034f76d-950f-4119-a75a-c2e4d3052663 | mp-667336 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr12Te64Cs16Zr12Te64Cs16Zr12Te64Cs16Zr12Te64
_chemical_formula_sum "Cs64 Zr48 Te256"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 71.90417904
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | c13efa3c-32ef-4244-a39d-39928818c336 | mp-795772 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Rb10Co4O8
_chemical_formula_sum "Rb10 Co4 O8"
_cell_length_a 7.061377
_cell_length_b 9.32316657
_cell_length_c 9.725491290000003
_cell_angle_alpha 118.05706487
_cell_angle_beta 89.66912512
_cell_angle_gamma 108.44379706000001
_spac... | data_image0
_chemical_formula_structural Rb10Co4O8Rb10Co4O8Rb10Co4O8Rb10Co4O8Rb10Co4O8Rb10Co4O8Rb10Co4O8Rb10Co4O8
_chemical_formula_sum "Rb80 Co32 O64"
_cell_length_a 7.061377
_cell_length_b 37.29266628
_cell_length_c 19.450982580000005
_cell_angle_alpha 118.05706487
_cell_angle_... |
SuperCellAction | f9f9e7e0-0687-4fef-9404-ee662fe08d54 | mp-568534 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural P16C8Se12N8
_chemical_formula_sum "P16 C8 Se12 N8"
_cell_length_a 6.853759
_cell_length_b 12.511679
_cell_length_c 14.24437576
_cell_angle_alpha 72.46563389
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural P16C8Se12N8P16C8Se12N8P16C8Se12N8P16C8Se12N8
_chemical_formula_sum "P64 C32 Se48 N32"
_cell_length_a 13.707518
_cell_length_b 25.023358
_cell_length_c 14.24437576
_cell_angle_alpha 72.46563389
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | dcba392b-17f5-4601-af3c-e75b806b305d | mp-1229207 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Al4Si8O24
_chemical_formula_sum "Al4 Si8 O24"
_cell_length_a 9.563469
_cell_length_b 9.57905997
_cell_length_c 9.71377535
_cell_angle_alpha 94.47840969
_cell_angle_beta 95.04810756999998
_cell_angle_gamma 94.63304470999998
_space_g... | data_image0
_chemical_formula_structural Al4Si8O24Al4Si8O24Al4Si8O24Al4Si8O24Al4Si8O24Al4Si8O24Al4Si8O24Al4Si8O24
_chemical_formula_sum "Al32 Si64 O192"
_cell_length_a 19.126938
_cell_length_b 9.57905997
_cell_length_c 38.8551014
_cell_angle_alpha 94.47840969
_cell_angle_beta ... |
SuperCellAction | ddebe832-6bbc-40ec-8e63-331bbd41920e | mp-1173764 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na40 Ce24 Ti48 Nb16 O192"
_cell_length_a 5.53853843
_cell_length_b 22.0487978
_cell_length_c 31.04... |
SuperCellAction | 11472d4e-cfe2-472c-912b-d88bc7853dce | mp-1219521 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Sb4As4Ir4
_chemical_formula_sum "Sb4 As4 Ir4"
_cell_length_a 6.398697
_cell_length_b 6.4034486
_cell_length_c 6.55434184
_cell_angle_alpha 114.09464444
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sb4As4Ir4Sb4As4Ir4Sb4As4Ir4Sb4As4Ir4Sb4As4Ir4Sb4As4Ir4
_chemical_formula_sum "Sb24 As24 Ir24"
_cell_length_a 12.797394
_cell_length_b 19.2103458
_cell_length_c 6.55434184
_cell_angle_alpha 114.09464444
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 2c1e5ddf-eaa6-418e-bd06-769552585def | mp-1246932 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_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 Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24
_chemical_formula_sum "Ba168 Hf24 N144"
_cell_length_a 25.02655
_cell_length_b 7.275755
_cell_length_c 44.871249000000006
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 7ca34e42-126e-4d2a-aa22-7930bbbcb04f | mp-18398 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Cs2V6Te4O24
_chemical_formula_sum "Cs2 V6 Te4 O24"
_cell_length_a 7.27519056
_cell_length_b 7.27519056
_cell_length_c 11.869581
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000506
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2V6Te4O24Cs2V6Te4O24Cs2V6Te4O24Cs2V6Te4O24Cs2V6Te4O24Cs2V6Te4O24Cs2V6Te4O24Cs2V6Te4O24
_chemical_formula_sum "Cs16 V48 Te32 O192"
_cell_length_a 14.55038112
_cell_length_b 29.10076224
_cell_length_c 11.869581
_cell_angle_alpha 90.0
_cell... |
SuperCellAction | beacc6f5-d02d-48dc-8157-8b004f97469c | mp-984755 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O22Nb8Ag4O22Nb8Ag4O22Nb8Ag4O22
_chemical_formula_sum "Nb32 Ag16 O88"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 52.97234468
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_... |
SuperCellAction | f8f414fe-af7e-49aa-82d9-728b705a341f | mp-2321 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Tb6Ge10
_chemical_formula_sum "Tb6 Ge10"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb6Ge10Tb6Ge10Tb6Ge10Tb6Ge10Tb6Ge10Tb6Ge10Tb6Ge10Tb6Ge10
_chemical_formula_sum "Tb48 Ge80"
_cell_length_a 5.7646017
_cell_length_b 29.84843592
_cell_length_c 18.25875486
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_... |
SuperCellAction | 2d2718f9-ffe5-4381-b9ca-9e11a4e1eebe | mp-1176767 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Li12Cu12P12O48
_chemical_formula_sum "Li12 Cu12 P12 O48"
_cell_length_a 18.617069
_cell_length_b 5.65504
_cell_length_c 8.472034
_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 Li12Cu12P12O48Li12Cu12P12O48Li12Cu12P12O48Li12Cu12P12O48Li12Cu12P12O48Li12Cu12P12O48Li12Cu12P12O48Li12Cu12P12O48
_chemical_formula_sum "Li96 Cu96 P96 O384"
_cell_length_a 18.617069
_cell_length_b 22.62016
_cell_length_c 16.944068
_cell_angle_... |
SuperCellAction | a11f2db9-7f66-4f5a-8c2c-ac62462c772b | mp-1094347 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_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_n... | data_image0
_chemical_formula_structural Mg6Ti6Mg6Ti6Mg6Ti6Mg6Ti6
_chemical_formula_sum "Mg24 Ti24"
_cell_length_a 4.882673
_cell_length_b 10.196226
_cell_length_c 18.859116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SuperCellAction | a17c04ea-d844-4eac-b153-66bca3bc3667 | mp-1215043 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Ca6Al12O72
_chemical_formula_sum "Ca6 Al12 O72"
_cell_length_a 16.0686127
_cell_length_b 16.0686127
_cell_length_c 9.065298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca6Al12O72Ca6Al12O72Ca6Al12O72Ca6Al12O72Ca6Al12O72Ca6Al12O72
_chemical_formula_sum "Ca36 Al72 O432"
_cell_length_a 32.1372254
_cell_length_b 16.0686127
_cell_length_c 27.195894000000003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | 526bf4c4-c963-4a3e-831d-41d483643896 | mp-27888 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Zr3GeO8
_chemical_formula_sum "Zr3 Ge1 O8"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group_... | data_image0
_chemical_formula_structural Zr3GeO8Zr3GeO8Zr3GeO8
_chemical_formula_sum "Zr9 Ge3 O24"
_cell_length_a 15.043778670000002
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.001201... |
SuperCellAction | 77a38ee7-0ccc-4790-acfd-0a363eab21ab | mp-28535 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Ca4Se6O16
_chemical_formula_sum "Ca4 Se6 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_group... | data_image0
_chemical_formula_structural Ca4Se6O16Ca4Se6O16Ca4Se6O16
_chemical_formula_sum "Ca12 Se18 O48"
_cell_length_a 16.57343091
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.2... |
SuperCellAction | 673448b9-6612-4a4c-9aa4-dfc127838039 | mp-556061 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Cs4Sb8F44
_chemical_formula_sum "Cs4 Sb8 F44"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cs4Sb8F44Cs4Sb8F44Cs4Sb8F44Cs4Sb8F44Cs4Sb8F44Cs4Sb8F44
_chemical_formula_sum "Cs24 Sb48 F264"
_cell_length_a 14.12716114
_cell_length_b 23.00992428
_cell_length_c 18.87852528
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 1c004b92-ec52-4194-8ea2-aec5d9412a7c | mp-1210964 | Create a supercell with the size 2*2*2. | 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 Lu12Cr4S24Lu12Cr4S24Lu12Cr4S24Lu12Cr4S24Lu12Cr4S24Lu12Cr4S24Lu12Cr4S24Lu12Cr4S24
_chemical_formula_sum "Lu96 Cr32 S192"
_cell_length_a 7.36543848
_cell_length_b 26.17238558
_cell_length_c 31.31611032
_cell_angle_alpha 90.0
_cell_angle_beta... |
SuperCellAction | a5acf268-154a-454f-9478-bf7d85ec3e90 | mp-1197082 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Rb6Tm2S6O24
_chemical_formula_sum "Rb6 Tm2 S6 O24"
_cell_length_a 9.41269635
_cell_length_b 9.41269635
_cell_length_c 9.43326427
_cell_angle_alpha 70.76036173
_cell_angle_beta 70.76036173
_cell_angle_gamma 109.51419768
_space_group... | data_image0
_chemical_formula_structural Rb6Tm2S6O24Rb6Tm2S6O24Rb6Tm2S6O24Rb6Tm2S6O24Rb6Tm2S6O24Rb6Tm2S6O24Rb6Tm2S6O24Rb6Tm2S6O24
_chemical_formula_sum "Rb48 Tm16 S48 O192"
_cell_length_a 37.6507854
_cell_length_b 18.8253927
_cell_length_c 9.43326427
_cell_angle_alpha 70.76036173... |
SuperCellAction | 5a31e083-dc66-4eb1-99c8-a54ee9117614 | mp-759690 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H16N4F12Mn2H16N4F12Mn2H16N4F12
_chemical_formula_sum "Mn6 H48 N12 F36"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 28.609170000000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000055... |
SuperCellAction | 1ee32eea-677d-4cb2-ba4a-87e252cdc94e | mp-561527 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Rb6Zr4P10S36
_chemical_formula_sum "Rb6 Zr4 P10 S36"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_space_grou... | data_image0
_chemical_formula_structural Rb6Zr4P10S36Rb6Zr4P10S36Rb6Zr4P10S36Rb6Zr4P10S36Rb6Zr4P10S36Rb6Zr4P10S36
_chemical_formula_sum "Rb36 Zr24 P60 S216"
_cell_length_a 6.87203973
_cell_length_b 13.74407946
_cell_length_c 101.69104077
_cell_angle_alpha 86.13173872
_cell_angle_... |
SuperCellAction | 7137e647-9962-4359-a1c4-33bc07c83999 | mp-1247313 | Create a supercell with the size 2*1*4. | 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 Zn16Ag4N12Zn16Ag4N12Zn16Ag4N12Zn16Ag4N12Zn16Ag4N12Zn16Ag4N12Zn16Ag4N12Zn16Ag4N12
_chemical_formula_sum "Zn128 Ag32 N96"
_cell_length_a 14.16729104
_cell_length_b 6.79057865
_cell_length_c 45.20497256
_cell_angle_alpha 92.11266917
_cell_ang... |
SuperCellAction | 3631ecaa-b9f2-4b6c-b5ff-206b8edbca86 | mp-1078810 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4
_chemical_formula_sum "Sc32 Sn16 Au32"
_cell_length_a 15.17331334
_cell_length_b 7.58665667
_cell_length_c 14.19756168
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 93bbb96a-249b-4992-a463-7dca88ea91b6 | mp-2452 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O10P4O10P4O10P4O10P4O10P4O10
_chemical_formula_sum "P24 O60"
_cell_length_a 4.83501677
_cell_length_b 9.67003068
_cell_length_c 25.685603880000006
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 1... |
SuperCellAction | 8884340a-d8e1-4260-b714-d0fc8741bfe1 | mp-1217691 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... | data_image0
_chemical_formula_structural Tb3DyAl8Tb3DyAl8Tb3DyAl8Tb3DyAl8
_chemical_formula_sum "Tb12 Dy4 Al32"
_cell_length_a 38.44651332
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.54... |
SuperCellAction | 868d2827-991a-4c76-9f55-7c6a8f6961d1 | mp-770592 | Create a supercell with the size 3*1*1. | 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 Mn8P4O20Mn8P4O20Mn8P4O20
_chemical_formula_sum "Mn24 P12 O60"
_cell_length_a 21.922857630000003
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma ... |
SuperCellAction | 424a8fbc-6790-4224-9dca-a46d54d31aad | mp-1191832 | Create a supercell with the size 1×1×3. | 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 Na2Mo8O12Na2Mo8O12Na2Mo8O12
_chemical_formula_sum "Na6 Mo24 O36"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 9.78828
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | 2e904df8-7b90-4d3d-9e9b-4733cdfec910 | mp-759690 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H16N4F12Mn2H16N4F12Mn2H16N4F12
_chemical_formula_sum "Mn6 H48 N12 F36"
_cell_length_a 5.9480205
_cell_length_b 17.8440615
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000557000001
_... |
SuperCellAction | fa9e9730-68b6-498a-a5a6-e807965f99a2 | mp-1114234 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiRhF6Na2LiRhF6Na2LiRhF6Na2LiRhF6
_chemical_formula_sum "Na8 Li4 Rh4 F24"
_cell_length_a 22.53582688
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_an... |
SuperCellAction | 9d5a0c0e-5c9a-4bd4-b573-804602cdda11 | mp-1522855 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural KEuZr4O12
_chemical_formula_sum "K1 Eu1 Zr4 O12"
_cell_length_a 5.80215694
_cell_length_b 5.80215694
_cell_length_c 8.46359513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.6025642
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural KEuZr4O12KEuZr4O12KEuZr4O12KEuZr4O12
_chemical_formula_sum "K4 Eu4 Zr16 O48"
_cell_length_a 23.20862776
_cell_length_b 5.80215694
_cell_length_c 8.46359513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.6025642
_... |
SuperCellAction | 653d7016-56ef-4459-98cf-33ea1c80dc0a | mp-756505 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Cs6Sc2O6
_chemical_formula_sum "Cs6 Sc2 O6"
_cell_length_a 7.32418222
_cell_length_b 7.32418222
_cell_length_c 7.44391154
_cell_angle_alpha 83.170733
_cell_angle_beta 83.170733
_cell_angle_gamma 115.61349048
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs6Sc2O6Cs6Sc2O6
_chemical_formula_sum "Cs12 Sc4 O12"
_cell_length_a 7.32418222
_cell_length_b 7.32418222
_cell_length_c 14.88782308
_cell_angle_alpha 83.170733
_cell_angle_beta 83.170733
_cell_angle_gamma 115.61349048
_space_group... |
SuperCellAction | d35b3bb4-99e2-45b3-8e8f-2ca8c16f06d4 | mp-1189074 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Rb4Al2O2F10
_chemical_formula_sum "Rb4 Al2 O2 F10"
_cell_length_a 6.39481619
_cell_length_b 6.394816189999999
_cell_length_c 7.635639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.4904225
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb4Al2O2F10Rb4Al2O2F10Rb4Al2O2F10Rb4Al2O2F10Rb4Al2O2F10Rb4Al2O2F10
_chemical_formula_sum "Rb24 Al12 O12 F60"
_cell_length_a 12.78963238
_cell_length_b 6.394816189999999
_cell_length_c 22.906917
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 59f96d8c-1178-4cf6-87fc-a63613cac9bb | mp-1103522 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Ga10W4
_chemical_formula_sum "Ga10 W4"
_cell_length_a 9.179984
_cell_length_b 9.179984
_cell_length_c 2.734625
_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_n... | data_image0
_chemical_formula_structural Ga10W4Ga10W4Ga10W4Ga10W4Ga10W4Ga10W4
_chemical_formula_sum "Ga60 W24"
_cell_length_a 18.359968
_cell_length_b 27.539952
_cell_length_c 2.734625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | f7ecdce3-65c2-4b00-bb69-4564a318e9f9 | mp-558805 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B8O24Na12Nd4B8O24Na12Nd4B8O24Na12Nd4B8O24
_chemical_formula_sum "Na48 Nd16 B32 O96"
_cell_length_a 17.763194
_cell_length_b 6.671646
_cell_length_c 24.37872376
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 1c1853f2-2838-4c01-9b35-5c39a96721d5 | mp-1225453 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Er14Ag51
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er14Ag51Er14Ag51Er14Ag51Er14Ag51
_chemical_formula_sum "Er56 Ag204"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 37.39976
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_spac... |
SuperCellAction | 428c8a2f-3f44-418a-b5f9-58cbb3c998c7 | mp-573073 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38
_chemical_formula_sum "Cs56 Cu48 F152"
_cell_length_a 6.25390924
_cell_length_b 22.88145526
_cell_length_c 31.703389119999997
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | dac145d4-eb37-41da-b130-3d5be2b391cf | mp-1217937 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Ti6FeBi9O27
_chemical_formula_sum "Ti6 Fe1 Bi9 O27"
_cell_length_a 6.095446
_cell_length_b 5.707039
_cell_length_c 19.800503
_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 Ti6FeBi9O27Ti6FeBi9O27
_chemical_formula_sum "Ti12 Fe2 Bi18 O54"
_cell_length_a 6.095446
_cell_length_b 11.414078
_cell_length_c 19.800503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | db8aef19-eb9b-4543-aa36-94ca2a219fba | mp-1200029 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Co3P4H48N2O30
_chemical_formula_sum "Co3 P4 H48 N2 O30"
_cell_length_a 6.19672752
_cell_length_b 7.041263
_cell_length_c 17.78336569
_cell_angle_alpha 101.41846615
_cell_angle_beta 90.87874117
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Co3P4H48N2O30Co3P4H48N2O30
_chemical_formula_sum "Co6 P8 H96 N4 O60"
_cell_length_a 6.19672752
_cell_length_b 7.041263
_cell_length_c 35.56673138
_cell_angle_alpha 101.41846615
_cell_angle_beta 90.87874117
_cell_angle_gamma 90.0
_s... |
SuperCellAction | 09a50c79-f604-4b2a-9882-15b01345a833 | mp-1047132 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... | data_image0
_chemical_formula_structural Ca2Ag4O8Ca2Ag4O8Ca2Ag4O8Ca2Ag4O8
_chemical_formula_sum "Ca8 Ag16 O32"
_cell_length_a 30.53657636
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_g... |
SuperCellAction | 7537833c-4495-4cb8-ac33-0220d40a1e4b | mp-1214431 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural CdSn3F6
_chemical_formula_sum "Cd1 Sn3 F6"
_cell_length_a 11.630125
_cell_length_b 11.66003966
_cell_length_c 20.736229490000003
_cell_angle_alpha 95.93458659999999
_cell_angle_beta 92.58664804
_cell_angle_gamma 119.17874084
_space... | data_image0
_chemical_formula_structural CdSn3F6CdSn3F6CdSn3F6CdSn3F6CdSn3F6CdSn3F6CdSn3F6CdSn3F6
_chemical_formula_sum "Cd8 Sn24 F48"
_cell_length_a 46.5205
_cell_length_b 23.32007932
_cell_length_c 20.736229490000003
_cell_angle_alpha 95.93458659999999
_cell_angle_beta 92.5... |
SuperCellAction | 5ab13a61-e230-44d2-b9c0-f02b250b1f6a | mp-722910 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4
_chemical_formula_sum "K24 B72 H60 N12 O24"
_cell_length_a 9.0225729
_cell_length_b 18.0451458
_cell_length_c 24.658134000000004
_cell_angle_alpha 90.0
_cell_angle_be... |
SuperCellAction | 02c5784b-8f0a-4b1f-9364-d9ed148cb5aa | mp-1194576 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Rb12Sb8Br36
_chemical_formula_sum "Rb12 Sb8 Br36"
_cell_length_a 7.68782753
_cell_length_b 13.69578094
_cell_length_c 19.48151806
_cell_angle_alpha 89.05068551
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb12Sb8Br36Rb12Sb8Br36Rb12Sb8Br36Rb12Sb8Br36Rb12Sb8Br36Rb12Sb8Br36Rb12Sb8Br36Rb12Sb8Br36
_chemical_formula_sum "Rb96 Sb64 Br288"
_cell_length_a 30.75131012
_cell_length_b 13.69578094
_cell_length_c 38.96303612
_cell_angle_alpha 89.05068551... |
SuperCellAction | 829a71aa-68e6-484d-a370-97fb19df65bc | mp-779404 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Li12Cr8As12O48
_chemical_formula_sum "Li12 Cr8 As12 O48"
_cell_length_a 10.51052944
_cell_length_b 10.51052944
_cell_length_c 10.51052944
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Li12Cr8As12O48Li12Cr8As12O48Li12Cr8As12O48Li12Cr8As12O48Li12Cr8As12O48Li12Cr8As12O48
_chemical_formula_sum "Li72 Cr48 As72 O288"
_cell_length_a 21.02105888
_cell_length_b 31.531588319999997
_cell_length_c 10.51052944
_cell_angle_alpha 109.... |
SuperCellAction | 63c02b37-6f8e-4896-adbc-80a687457adf | mp-29817 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Ga8P16I72
_chemical_formula_sum "Ga8 P16 I72"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_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 Ga8P16I72Ga8P16I72Ga8P16I72Ga8P16I72Ga8P16I72Ga8P16I72Ga8P16I72Ga8P16I72
_chemical_formula_sum "Ga64 P128 I576"
_cell_length_a 22.957272
_cell_length_b 18.887677
_cell_length_c 86.853988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 5bef0f89-f700-4430-9769-be4103e8defe | mp-763831 | Create a supercell with the size 2×2×1. | 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 11.37033978
_cell_length_b 11.37033978
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.4... |
SuperCellAction | 3c8a1a3e-dbed-40cc-bbb4-039e88e2bc6e | mp-758458 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4V4P16O48Li4V4P16O48
_chemical_formula_sum "Li8 V8 P32 O96"
_cell_length_a 17.758206
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | c49a074d-7b3c-4b1c-8110-669f25c4e75d | mp-1028186 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural NaCaMg14
_chemical_formula_sum "Na1 Ca1 Mg14"
_cell_length_a 6.57203517
_cell_length_b 6.55068295
_cell_length_c 10.53355028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.89258933
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural NaCaMg14NaCaMg14NaCaMg14NaCaMg14
_chemical_formula_sum "Na4 Ca4 Mg56"
_cell_length_a 13.14407034
_cell_length_b 13.1013659
_cell_length_c 10.53355028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.89258933
_spac... |
SuperCellAction | 1ccc74d8-8bb4-4fa9-ae4a-2a00abd04fdd | mp-1225618 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Er2Ga6Cu11
_chemical_formula_sum "Er2 Ga6 Cu11"
_cell_length_a 6.56066199
_cell_length_b 6.560661990000001
_cell_length_c 6.5606616
_cell_angle_alpha 83.56990939999999
_cell_angle_beta 83.56990939999999
_cell_angle_gamma 83.56991377... | data_image0
_chemical_formula_structural Er2Ga6Cu11Er2Ga6Cu11Er2Ga6Cu11Er2Ga6Cu11Er2Ga6Cu11Er2Ga6Cu11Er2Ga6Cu11Er2Ga6Cu11
_chemical_formula_sum "Er16 Ga48 Cu88"
_cell_length_a 13.12132398
_cell_length_b 26.242647960000003
_cell_length_c 6.5606616
_cell_angle_alpha 83.569909399999... |
SuperCellAction | 0ca42fa3-6022-43b0-8b7b-6326a7bb434e | mp-22781 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn8Ge4O16Mn8Ge4O16Mn8Ge4O16Mn8Ge4O16
_chemical_formula_sum "Mn32 Ge16 O64"
_cell_length_a 8.178338
_cell_length_b 32.713352
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53... |
SuperCellAction | 0409c56f-0079-42ac-9ee1-080fccdea1d3 | mp-1215240 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Zr4Ti4Pd4
_chemical_formula_sum "Zr4 Ti4 Pd4"
_cell_length_a 5.3695121
_cell_length_b 5.48048527
_cell_length_c 8.698884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.66137671999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Ti4Pd4Zr4Ti4Pd4Zr4Ti4Pd4Zr4Ti4Pd4Zr4Ti4Pd4Zr4Ti4Pd4
_chemical_formula_sum "Zr24 Ti24 Pd24"
_cell_length_a 5.3695121
_cell_length_b 10.96097054
_cell_length_c 26.096652
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | c96be5c8-f753-44f3-886c-d99684a2ef19 | mp-1219272 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4Sm4CrFe33C4Sm4CrFe33C4Sm4CrFe33C4Sm4CrFe33C4Sm4CrFe33C4
_chemical_formula_sum "Sm24 Cr6 Fe198 C24"
_cell_length_a 6.50403639
_cell_length_b 12.96042384
_cell_length_c 39.01904391000001
_cell_angle_alpha 83.55663481
_cell_angle_b... |
SuperCellAction | a2fd1d76-f893-4013-9297-1825daf5e569 | mp-1033845 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Mg14BCO16
_chemical_formula_sum "Mg14 B1 C1 O16"
_cell_length_a 8.50440118
_cell_length_b 8.50440118
_cell_length_c 4.19993262
_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 Mg14BCO16Mg14BCO16Mg14BCO16Mg14BCO16Mg14BCO16Mg14BCO16Mg14BCO16Mg14BCO16
_chemical_formula_sum "Mg112 B8 C8 O128"
_cell_length_a 17.00880236
_cell_length_b 8.50440118
_cell_length_c 16.79973048
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 60b8e5c2-a50a-4fe2-b7aa-daf8c9bd3317 | mp-558208 | Create a supercell with the size 2X1X1. | 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 Rb4In4As8O28Rb4In4As8O28
_chemical_formula_sum "Rb8 In8 As16 O56"
_cell_length_a 15.99723
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060... |
SuperCellAction | 49c3db36-3a40-4a22-b77c-dd1b33dbb8fd | mp-771733 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... | data_image0
_chemical_formula_structural Li3MgV8O16Li3MgV8O16Li3MgV8O16Li3MgV8O16Li3MgV8O16Li3MgV8O16
_chemical_formula_sum "Li18 Mg6 V48 O96"
_cell_length_a 17.994018179999998
_cell_length_b 5.99800606
_cell_length_c 20.64247178
_cell_angle_alpha 74.18392686
_cell_angle_beta ... |
SuperCellAction | aea9b6a8-c3c7-4224-8e6d-ecad5fd4b6e0 | mp-1073003 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_gro... | data_image0
_chemical_formula_structural Mg8Si12Mg8Si12Mg8Si12Mg8Si12Mg8Si12Mg8Si12
_chemical_formula_sum "Mg48 Si72"
_cell_length_a 10.65599052
_cell_length_b 15.98398578
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_... |
SuperCellAction | 52bcfee4-6a6f-48b3-be5d-61a03defd3c3 | mp-542864 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Na4Ni2H24S4O28
_chemical_formula_sum "Na4 Ni2 H24 S4 O28"
_cell_length_a 11.998646
_cell_length_b 6.011579
_cell_length_c 8.8819732
_cell_angle_alpha 76.01844686
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Na4Ni2H24S4O28Na4Ni2H24S4O28Na4Ni2H24S4O28Na4Ni2H24S4O28Na4Ni2H24S4O28Na4Ni2H24S4O28Na4Ni2H24S4O28Na4Ni2H24S4O28
_chemical_formula_sum "Na32 Ni16 H192 S32 O224"
_cell_length_a 23.997292
_cell_length_b 24.046316
_cell_length_c 8.8819732
_cell_... |
SuperCellAction | 0f2cea2a-c546-480d-84d7-514f5609b811 | mp-554739 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural C12I4Cl4O8F24C12I4Cl4O8F24C12I4Cl4O8F24C12I4Cl4O8F24C12I4Cl4O8F24C12I4Cl4O8F24
_chemical_formula_sum "C72 I24 Cl24 O48 F144"
_cell_length_a 8.01462
_cell_length_b 20.530396
_cell_length_c 33.971780939999995
_cell_angle_alpha 78.49942135
_c... |
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