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 | 0a44cc93-c8e3-49d7-b395-b934c5c6510e | mp-557497 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pr4Nb22O60Pr4Nb22O60Pr4Nb22O60Pr4Nb22O60Pr4Nb22O60Pr4Nb22O60
_chemical_formula_sum "Pr24 Nb132 O360"
_cell_length_a 6.32548054
_cell_length_b 12.65096108
_cell_length_c 98.87373
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | fc61b6ae-2d07-47a4-b804-bf7a53556225 | mp-755663 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O14Ta4Pb4O14Ta4Pb4O14Ta4Pb4O14Ta4Pb4O14Ta4Pb4O14Ta4Pb4O14Ta4Pb4O14
_chemical_formula_sum "Ta32 Pb32 O112"
_cell_length_a 13.63450404
_cell_length_b 27.26900808
_cell_length_c 23.2728096
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | c8f55178-3ee6-419e-a3b4-a29cffce2b5b | mp-1331651 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16Li4Mn3V3Sb2O16Li4Mn3V3Sb2O16Li4Mn3V3Sb2O16
_chemical_formula_sum "Li16 Mn12 V12 Sb8 O64"
_cell_length_a 5.93637
_cell_length_b 24.27444688
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.9345747... |
SuperCellAction | 9fd6ced0-e011-401d-88e2-4b7a9062acdc | mp-27382 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40
_chemical_formula_sum "U48 Tl48 F240"
_cell_length_a 27.4556734
_cell_length_b 24.61377168
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | d9c9af29-a124-4e93-8175-2282d0882cde | mp-1046963 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural BaZnCu4O8
_chemical_formula_sum "Ba1 Zn1 Cu4 O8"
_cell_length_a 5.30967127
_cell_length_b 5.309671269999999
_cell_length_c 7.156594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999096
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural BaZnCu4O8BaZnCu4O8BaZnCu4O8BaZnCu4O8BaZnCu4O8BaZnCu4O8
_chemical_formula_sum "Ba6 Zn6 Cu24 O48"
_cell_length_a 10.61934254
_cell_length_b 5.309671269999999
_cell_length_c 21.469782000000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | 076c6936-7b33-4e8c-8e5b-dbb708e93dbb | mp-1223525 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu4O16KLa7Cu4O16KLa7Cu4O16KLa7Cu4O16
_chemical_formula_sum "K4 La28 Cu16 O64"
_cell_length_a 54.61309712
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003... |
SuperCellAction | 0688732e-da91-413d-ae8d-255ba602a217 | mp-780531 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Na12Mn12O32
_chemical_formula_sum "Na12 Mn12 O32"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_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 Na12Mn12O32Na12Mn12O32Na12Mn12O32Na12Mn12O32Na12Mn12O32Na12Mn12O32
_chemical_formula_sum "Na72 Mn72 O192"
_cell_length_a 26.307399
_cell_length_b 17.538266
_cell_length_c 8.769133
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 5bab0168-7bd5-49e4-9fe4-1d72516f07de | mp-1225501 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Dy6Al6Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_gro... | data_image0
_chemical_formula_structural Dy6Al6Fe12Dy6Al6Fe12Dy6Al6Fe12Dy6Al6Fe12Dy6Al6Fe12Dy6Al6Fe12
_chemical_formula_sum "Dy36 Al36 Fe72"
_cell_length_a 10.54484578
_cell_length_b 5.27242289
_cell_length_c 48.611261999999996
_cell_angle_alpha 89.99993312
_cell_angle_beta 9... |
SuperCellAction | 186201de-e354-4f93-9d5c-7bbd6968ad6f | mp-1214345 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Ba2Si24Pt10
_chemical_formula_sum "Ba2 Si24 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667499999... | data_image0
_chemical_formula_structural Ba2Si24Pt10Ba2Si24Pt10Ba2Si24Pt10Ba2Si24Pt10
_chemical_formula_sum "Ba8 Si96 Pt40"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 24.485099560000002
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell... |
SuperCellAction | cfbbacee-7c82-47cb-8569-bcace7d86e78 | mp-758514 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Li6Fe6P8O32
_chemical_formula_sum "Li6 Fe6 P8 O32"
_cell_length_a 8.527769
_cell_length_b 9.21324108
_cell_length_c 10.03660871
_cell_angle_alpha 108.15266091
_cell_angle_beta 105.36546497
_cell_angle_gamma 109.61331428000001
_spac... | data_image0
_chemical_formula_structural Li6Fe6P8O32Li6Fe6P8O32Li6Fe6P8O32Li6Fe6P8O32
_chemical_formula_sum "Li24 Fe24 P32 O128"
_cell_length_a 34.111076
_cell_length_b 9.21324108
_cell_length_c 10.03660871
_cell_angle_alpha 108.15266091
_cell_angle_beta 105.36546497
_cell_an... |
SuperCellAction | 4bc180ad-d08d-417a-8988-dfc5b0e9c80e | mp-1245175 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Ta50N50
_chemical_formula_sum "Ta50 N50"
_cell_length_a 11.09207323
_cell_length_b 10.63223837
_cell_length_c 10.97325726
_cell_angle_alpha 90.47321580999999
_cell_angle_beta 91.80549763
_cell_angle_gamma 87.44350961
_space_group_n... | data_image0
_chemical_formula_structural Ta50N50Ta50N50Ta50N50Ta50N50
_chemical_formula_sum "Ta200 N200"
_cell_length_a 11.09207323
_cell_length_b 42.52895348
_cell_length_c 10.97325726
_cell_angle_alpha 90.47321580999999
_cell_angle_beta 91.80549763
_cell_angle_gamma 87.4... |
SuperCellAction | 72a3df65-3069-4841-a48e-c45c78eb1b80 | mp-775339 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si12O30Li4V2Si12O30Li4V2Si12O30Li4V2Si12O30
_chemical_formula_sum "Li16 V8 Si48 O120"
_cell_length_a 9.75245569
_cell_length_b 39.00982276
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.... |
SuperCellAction | 0f8c5776-3829-4931-951c-da6ed56337b8 | mp-649415 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12K4Bi4N4Cl12O12K4Bi4N4Cl12O12K4Bi4N4Cl12O12K4Bi4N4Cl12O12K4Bi4N4Cl12O12
_chemical_formula_sum "K24 Bi24 N24 Cl72 O72"
_cell_length_a 17.062802
_cell_length_b 10.022379
_cell_length_c 31.35623061
_cell_angle_alpha 67.5248389200... |
SuperCellAction | 5afad310-aab2-48be-a1de-fd286a0c190b | mp-21827 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural In18Cu8Se32
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_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 In18Cu8Se32In18Cu8Se32In18Cu8Se32In18Cu8Se32In18Cu8Se32In18Cu8Se32
_chemical_formula_sum "In108 Cu48 Se192"
_cell_length_a 35.552982
_cell_length_b 11.850994
_cell_length_c 23.701988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 5f5fb71b-a251-443e-a667-f4c018f33549 | mp-1196507 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural K36Fe8O32
_chemical_formula_sum "K36 Fe8 O32"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_space_gr... | data_image0
_chemical_formula_structural K36Fe8O32K36Fe8O32K36Fe8O32K36Fe8O32K36Fe8O32K36Fe8O32K36Fe8O32K36Fe8O32
_chemical_formula_sum "K288 Fe64 O256"
_cell_length_a 21.13192292
_cell_length_b 42.26384584
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta... |
SuperCellAction | 62f04f70-62f9-4e8c-aac6-961742cee8ba | mp-1239205 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Ta2Cr6Ag4S16
_chemical_formula_sum "Ta2 Cr6 Ag4 S16"
_cell_length_a 6.023637
_cell_length_b 6.927959
_cell_length_c 14.957959830000002
_cell_angle_alpha 62.36883373999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ta2Cr6Ag4S16Ta2Cr6Ag4S16Ta2Cr6Ag4S16Ta2Cr6Ag4S16
_chemical_formula_sum "Ta8 Cr24 Ag16 S64"
_cell_length_a 12.047274
_cell_length_b 6.927959
_cell_length_c 29.915919660000004
_cell_angle_alpha 62.36883373999999
_cell_angle_beta 90.0
_ce... |
SuperCellAction | fb227c73-f396-41c5-9fb3-d61f7329ab5a | mp-1038443 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_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 HfMg30CdO32HfMg30CdO32HfMg30CdO32HfMg30CdO32HfMg30CdO32HfMg30CdO32HfMg30CdO32HfMg30CdO32
_chemical_formula_sum "Hf8 Mg240 Cd8 O256"
_cell_length_a 8.661808
_cell_length_b 17.323616
_cell_length_c 34.609392
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | 628e4d8a-25f1-4cbb-ac29-69cb9d554393 | mp-1235910 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... | data_image0
_chemical_formula_structural LiMn6O4F8LiMn6O4F8LiMn6O4F8LiMn6O4F8
_chemical_formula_sum "Li4 Mn24 O16 F32"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 23.3918878
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_an... |
SuperCellAction | c8b401e0-0a75-4e16-a6ed-7deeb02a8e84 | mp-675818 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li11TiAs5Li11TiAs5Li11TiAs5Li11TiAs5Li11TiAs5Li11TiAs5Li11TiAs5Li11TiAs5
_chemical_formula_sum "Li88 Ti8 As40"
_cell_length_a 7.42247606
_cell_length_b 14.84495212
_cell_length_c 42.40640439999999
_cell_angle_alpha 63.42659419999999
_cell_... |
SuperCellAction | 84c742e4-eaeb-4586-95e0-224f24da8510 | mp-678 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag17Mg54Ag17Mg54Ag17
_chemical_formula_sum "Mg162 Ag51"
_cell_length_a 37.332040469999995
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566... |
SuperCellAction | 95036040-b1e5-4711-8f08-8f95c9254c41 | mp-1218836 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.38... | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9Sr2Eu2TlNi2O9Sr2Eu2TlNi2O9Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr8 Eu8 Tl4 Ni8 O36"
_cell_length_a 15.24082335
_cell_length_b 60.94394147999999
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73... |
SuperCellAction | db005a1b-c694-46b7-9491-ab0c5a995b37 | mp-21827 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural In18Cu8Se32
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_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 In18Cu8Se32In18Cu8Se32In18Cu8Se32In18Cu8Se32
_chemical_formula_sum "In72 Cu32 Se128"
_cell_length_a 47.403976
_cell_length_b 11.850994
_cell_length_c 11.850994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | a4636216-13d6-4bd2-9c2e-0cae9a4006fe | mp-20843 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Sr4In2Pd4
_chemical_formula_sum "Sr4 In2 Pd4"
_cell_length_a 6.05803228
_cell_length_b 6.04504045
_cell_length_c 8.37278286
_cell_angle_alpha 101.75932553
_cell_angle_beta 90.0
_cell_angle_gamma 120.07111383
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sr4In2Pd4Sr4In2Pd4Sr4In2Pd4Sr4In2Pd4Sr4In2Pd4Sr4In2Pd4
_chemical_formula_sum "Sr24 In12 Pd24"
_cell_length_a 18.17409684
_cell_length_b 12.0900809
_cell_length_c 8.37278286
_cell_angle_alpha 101.75932553
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 03b45b22-d107-4da1-8477-8c372e3ae068 | mp-1191856 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural In4As4Cl4O10
_chemical_formula_sum "In4 As4 Cl4 O10"
_cell_length_a 6.843761
_cell_length_b 7.6331631
_cell_length_c 9.17066783
_cell_angle_alpha 108.41518677
_cell_angle_beta 104.79502943000001
_cell_angle_gamma 102.17767142999999
... | data_image0
_chemical_formula_structural In4As4Cl4O10In4As4Cl4O10In4As4Cl4O10In4As4Cl4O10
_chemical_formula_sum "In16 As16 Cl16 O40"
_cell_length_a 27.375044
_cell_length_b 7.6331631
_cell_length_c 9.17066783
_cell_angle_alpha 108.41518677
_cell_angle_beta 104.79502943000001
... |
SuperCellAction | 7656f73b-5183-4d02-9c92-b5ceafa7c445 | mp-569776 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Ta4Ni12
_chemical_formula_sum "Ta4 Ni12"
_cell_length_a 4.50048397
_cell_length_b 5.0775531
_cell_length_c 8.564185050000003
_cell_angle_alpha 90.0
_cell_angle_beta 100.87707586
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ta4Ni12Ta4Ni12Ta4Ni12Ta4Ni12Ta4Ni12Ta4Ni12Ta4Ni12Ta4Ni12
_chemical_formula_sum "Ta32 Ni96"
_cell_length_a 9.00096794
_cell_length_b 10.1551062
_cell_length_c 17.128370100000005
_cell_angle_alpha 90.0
_cell_angle_beta 100.87707586
_cell... |
SuperCellAction | 12ed0959-2770-4d80-a8a4-0589d7693cce | mp-1204170 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Mg10C8O36
_chemical_formula_sum "Mg10 C8 O36"
_cell_length_a 10.22997894
_cell_length_b 10.22997894
_cell_length_c 9.092686
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.37519941
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg10C8O36Mg10C8O36Mg10C8O36Mg10C8O36Mg10C8O36Mg10C8O36Mg10C8O36Mg10C8O36
_chemical_formula_sum "Mg80 C64 O288"
_cell_length_a 20.45995788
_cell_length_b 10.22997894
_cell_length_c 36.370744
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | 9cdc7aca-178a-4c1a-90f3-5a7143e46efb | mp-1179595 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Sb6O28
_chemical_formula_sum "Sb6 O28"
_cell_length_a 14.943285
_cell_length_b 5.856034
_cell_length_c 5.863911219999999
_cell_angle_alpha 71.72741294
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb6O28Sb6O28Sb6O28Sb6O28Sb6O28Sb6O28Sb6O28Sb6O28
_chemical_formula_sum "Sb48 O224"
_cell_length_a 14.943285
_cell_length_b 11.712068
_cell_length_c 23.455644879999998
_cell_angle_alpha 71.72741294
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 5fb2e6ba-c9bf-40df-ae27-03e3bff05ce8 | mp-1029491 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Cs4Co4N4
_chemical_formula_sum "Cs4 Co4 N4"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_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 Cs4Co4N4Cs4Co4N4Cs4Co4N4Cs4Co4N4Cs4Co4N4Cs4Co4N4
_chemical_formula_sum "Cs24 Co24 N24"
_cell_length_a 7.038992
_cell_length_b 7.274685
_cell_length_c 31.599609
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | 1394704a-7171-45a0-a58d-ceaf36afb415 | mp-583615 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural K12In8As12
_chemical_formula_sum "K12 In8 As12"
_cell_length_a 10.51184083
_cell_length_b 10.51184083
_cell_length_c 14.88376899
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 142.13376966
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K12In8As12K12In8As12K12In8As12
_chemical_formula_sum "K36 In24 As36"
_cell_length_a 10.51184083
_cell_length_b 10.51184083
_cell_length_c 44.65130697
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 142.13376966
_spac... |
SuperCellAction | 6d26af78-aade-4d1e-ab7e-e19a26da1192 | mp-603241 | Create a supercell with the size 2x4x1. | 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 43.55146184
_cell_length_c 11.1371523
_cell_angle_... |
SuperCellAction | 686ec328-a557-4bd3-a960-d5e4d73eb4c0 | mp-560378 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Ca12Ta16O48F8
_chemical_formula_sum "Ca12 Ta16 O48 F8"
_cell_length_a 10.538277
_cell_length_b 10.538277
_cell_length_c 10.538277
_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 Ca12Ta16O48F8Ca12Ta16O48F8Ca12Ta16O48F8
_chemical_formula_sum "Ca36 Ta48 O144 F24"
_cell_length_a 10.538277
_cell_length_b 31.614831000000002
_cell_length_c 10.538277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 68dc2550-c7cc-4c60-8aff-5010779cd5f8 | mp-1193265 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_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 Na12Sb4Se12Na12Sb4Se12Na12Sb4Se12Na12Sb4Se12Na12Sb4Se12Na12Sb4Se12
_chemical_formula_sum "Na72 Sb24 Se72"
_cell_length_a 8.99223911
_cell_length_b 26.97671733
_cell_length_c 17.98447822
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | 73d21e29-29ff-4220-8732-60c29b3baed5 | mp-1205001 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Os8Xe4O24F40
_chemical_formula_sum "Os8 Xe4 O24 F40"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_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 Os8Xe4O24F40Os8Xe4O24F40Os8Xe4O24F40Os8Xe4O24F40Os8Xe4O24F40Os8Xe4O24F40
_chemical_formula_sum "Os48 Xe24 O144 F240"
_cell_length_a 7.84387
_cell_length_b 23.67541
_cell_length_c 39.515073
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | 0b17c45a-5d55-4ab8-877e-078bbf998a39 | mp-1103158 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Ti4Ge4Ir4
_chemical_formula_sum "Ti4 Ge4 Ir4"
_cell_length_a 3.94684421
_cell_length_b 6.29461026
_cell_length_c 7.36967752
_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 Ti4Ge4Ir4Ti4Ge4Ir4Ti4Ge4Ir4
_chemical_formula_sum "Ti12 Ge12 Ir12"
_cell_length_a 3.94684421
_cell_length_b 6.29461026
_cell_length_c 22.10903256
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SuperCellAction | aff050a3-4af6-4c96-8f69-b13b070cc6f8 | mp-757418 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... | data_image0
_chemical_formula_structural KTi16O32KTi16O32KTi16O32KTi16O32
_chemical_formula_sum "K4 Ti64 O128"
_cell_length_a 34.146468
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.9... |
SuperCellAction | 4c9faac0-07ba-4be8-9fa8-ff2964518d89 | mp-1175318 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.9583734
_sp... | data_image0
_chemical_formula_structural Li14Mn10O24Li14Mn10O24Li14Mn10O24
_chemical_formula_sum "Li42 Mn30 O72"
_cell_length_a 5.9418197
_cell_length_b 23.085346200000004
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_g... |
SuperCellAction | af0f13ec-84fd-4cce-90ce-a20856fc530f | mp-774335 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Sn16P16O56
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_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 Sn16P16O56Sn16P16O56Sn16P16O56Sn16P16O56Sn16P16O56Sn16P16O56Sn16P16O56Sn16P16O56
_chemical_formula_sum "Sn128 P128 O448"
_cell_length_a 28.125092
_cell_length_b 14.062546
_cell_length_c 25.553671
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 70b7f84b-9a52-4898-98c9-5533e00c3e47 | mp-1196015 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16
_chemical_formula_sum "Cs48 P24 Au24 S96"
_cell_length_a 14.308176
_cell_length_b 21.871953
_cell_length_c 20.458374
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 404761f4-0ba3-4306-924c-fb2ebab0ad29 | mp-2215121 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... | data_image0
_chemical_formula_structural Co4NiO8Co4NiO8
_chemical_formula_sum "Co8 Ni2 O16"
_cell_length_a 5.64124235
_cell_length_b 11.257564779999997
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83... |
SuperCellAction | 0148bcae-4b3e-40c2-b0d1-cddc78e37d87 | mp-1195795 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22La4Y11S22
_chemical_formula_sum "La8 Y22 S44"
_cell_length_a 39.70591026
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
... |
SuperCellAction | 8898c5b9-b2b2-4efb-9d4b-922bd769ef3e | mp-1173233 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12Sr3LaCu2Bi4O12Sr3LaCu2Bi4O12Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr12 La4 Cu8 Bi16 O48"
_cell_length_a 18.25467784
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta ... |
SuperCellAction | 958df075-9fca-4e43-b1c6-0d03bd6b7d1c | mp-1175381 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... | data_image0
_chemical_formula_structural Li9Co7O16Li9Co7O16Li9Co7O16
_chemical_formula_sum "Li27 Co21 O48"
_cell_length_a 4.85598167
_cell_length_b 16.96432281
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.649885... |
SuperCellAction | 4b59fa84-d667-4b73-bc17-73eebe223b16 | mp-1185716 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... | data_image0
_chemical_formula_structural Mg16Al12VMg16Al12VMg16Al12VMg16Al12VMg16Al12VMg16Al12VMg16Al12VMg16Al12V
_chemical_formula_sum "Mg128 Al96 V8"
_cell_length_a 18.0091401
_cell_length_b 9.004570050000002
_cell_length_c 36.01827836
_cell_angle_alpha 108.85703769
_cell_angle... |
SuperCellAction | 5a0b5005-147a-48a5-9779-f0cd114d773c | mp-770394 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Na10Fe4P4C4O28
_chemical_formula_sum "Na10 Fe4 P4 C4 O28"
_cell_length_a 6.68731
_cell_length_b 8.97397999
_cell_length_c 10.46054342
_cell_angle_alpha 90.26436813999999
_cell_angle_beta 90.25765964
_cell_angle_gamma 90.59874483
_s... | data_image0
_chemical_formula_structural Na10Fe4P4C4O28Na10Fe4P4C4O28
_chemical_formula_sum "Na20 Fe8 P8 C8 O56"
_cell_length_a 6.68731
_cell_length_b 17.94795998
_cell_length_c 10.46054342
_cell_angle_alpha 90.26436813999999
_cell_angle_beta 90.25765964
_cell_angle_gamma ... |
SuperCellAction | 68795996-bb66-423b-9db6-6a6e0cabc7a3 | mp-975336 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 K4C4S4N4K4C4S4N4K4C4S4N4
_chemical_formula_sum "K12 C12 S12 N12"
_cell_length_a 6.479805
_cell_length_b 19.546743
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | 70768e43-78fd-4d65-b63f-3b28d083bfc9 | mp-2460 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Er6O9
_chemical_formula_sum "Er6 O9"
_cell_length_a 3.43167153
_cell_length_b 7.10234264
_cell_length_c 8.48446669
_cell_angle_alpha 99.89320707
_cell_angle_beta 90.00002786999998
_cell_angle_gamma 103.97785276
_space_group_name_H-... | data_image0
_chemical_formula_structural Er6O9Er6O9Er6O9Er6O9
_chemical_formula_sum "Er24 O36"
_cell_length_a 13.72668612
_cell_length_b 7.10234264
_cell_length_c 8.48446669
_cell_angle_alpha 99.89320707
_cell_angle_beta 90.00002786999998
_cell_angle_gamma 103.97785276
_s... |
SuperCellAction | 85617e74-c05d-4aca-8f3f-6e0b5861abb4 | mp-4584 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Tl6B2O6
_chemical_formula_sum "Tl6 B2 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tl6B2O6Tl6B2O6
_chemical_formula_sum "Tl12 B4 O12"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 7.5241121
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt ... |
SuperCellAction | fc3e49b0-c00e-48f5-9166-581acf9a0d9c | mp-1191148 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Sr2Cu4B4O12
_chemical_formula_sum "Sr2 Cu4 B4 O12"
_cell_length_a 7.28681241
_cell_length_b 7.28681241
_cell_length_c 7.286813030000001
_cell_angle_alpha 102.71824613
_cell_angle_beta 102.7182562
_cell_angle_gamma 124.03409063000001... | data_image0
_chemical_formula_structural Sr2Cu4B4O12Sr2Cu4B4O12Sr2Cu4B4O12Sr2Cu4B4O12
_chemical_formula_sum "Sr8 Cu16 B16 O48"
_cell_length_a 7.28681241
_cell_length_b 14.57362482
_cell_length_c 14.573626060000002
_cell_angle_alpha 102.71824613
_cell_angle_beta 102.7182562
_c... |
SuperCellAction | ad1c9984-8d6f-4a0b-9ecc-e00c4367d67c | mp-1199432 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Al2FeP2H18O18
_chemical_formula_sum "Al2 Fe1 P2 H18 O18"
_cell_length_a 5.26297988
_cell_length_b 7.0316164
_cell_length_c 10.34434355
_cell_angle_alpha 96.11274837
_cell_angle_beta 101.34742511
_cell_angle_gamma 110.46688023
_spac... | data_image0
_chemical_formula_structural Al2FeP2H18O18Al2FeP2H18O18Al2FeP2H18O18Al2FeP2H18O18Al2FeP2H18O18Al2FeP2H18O18
_chemical_formula_sum "Al12 Fe6 P12 H108 O108"
_cell_length_a 5.26297988
_cell_length_b 14.0632328
_cell_length_c 31.033030649999993
_cell_angle_alpha 96.112748... |
SuperCellAction | 6c9c9c7f-d4d4-4814-9079-249ebd58b085 | mp-997515 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Li2Fe16O24
_chemical_formula_sum "Li2 Fe16 O24"
_cell_length_a 5.97719948
_cell_length_b 5.99319591
_cell_length_c 13.44468737
_cell_angle_alpha 103.09989205
_cell_angle_beta 103.09598309
_cell_angle_gamma 89.9428753
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe16O24Li2Fe16O24
_chemical_formula_sum "Li4 Fe32 O48"
_cell_length_a 5.97719948
_cell_length_b 5.99319591
_cell_length_c 26.88937474
_cell_angle_alpha 103.09989205
_cell_angle_beta 103.09598309
_cell_angle_gamma 89.9428753
_spa... |
SuperCellAction | 66a54353-63e6-49e8-979d-2996bdaa0780 | mp-753980 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... | data_image0
_chemical_formula_structural Li4Mn2TeWO12Li4Mn2TeWO12
_chemical_formula_sum "Li8 Mn4 Te2 W2 O24"
_cell_length_a 5.32417188
_cell_length_b 21.298935540000002
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gam... |
SuperCellAction | 5486dd7b-e453-457d-99ea-f3e617dfbc06 | mp-1022964 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Y2Mg12Cu2
_chemical_formula_sum "Y2 Mg12 Cu2"
_cell_length_a 4.954655
_cell_length_b 6.058748
_cell_length_c 12.047795
_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 Y2Mg12Cu2Y2Mg12Cu2Y2Mg12Cu2
_chemical_formula_sum "Y6 Mg36 Cu6"
_cell_length_a 4.954655
_cell_length_b 6.058748
_cell_length_c 36.143385
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | c8796988-51b8-4263-a641-11cbbb501dcc | mp-1214614 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Ba8Ga6Ge40
_chemical_formula_sum "Ba8 Ga6 Ge40"
_cell_length_a 11.04858372
_cell_length_b 11.04858372
_cell_length_c 11.04858372
_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 Ba8Ga6Ge40Ba8Ga6Ge40Ba8Ga6Ge40Ba8Ga6Ge40Ba8Ga6Ge40Ba8Ga6Ge40Ba8Ga6Ge40Ba8Ga6Ge40
_chemical_formula_sum "Ba64 Ga48 Ge320"
_cell_length_a 44.19433488
_cell_length_b 22.09716744
_cell_length_c 11.04858372
_cell_angle_alpha 90.0
_cell_angle_be... |
SuperCellAction | fb71227a-2e4d-4d10-a5b2-c92f8329972c | mp-2713621 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na96 Zr32 Ti32 Si64 P32 O384"
_cell_length_a 15.70059751
_cell_length_b 36.33336... |
SuperCellAction | 3e417b50-0953-47a9-ba05-184800eca848 | mp-1359845 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2Cu4P8O28Ca2Cu4P8O28Ca2Cu4P8O28Ca2Cu4P8O28Ca2Cu4P8O28Ca2Cu4P8O28Ca2Cu4P8O28Ca2Cu4P8O28
_chemical_formula_sum "Ca16 Cu32 P64 O224"
_cell_length_a 10.837742
_cell_length_b 7.99159957
_cell_length_c 51.50720988
_cell_angle_alpha 90.19229106... |
SuperCellAction | 3180aa8a-f2ab-4796-a3d7-40c7f8b4dcd0 | mp-1189731 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural P4Br12O4
_chemical_formula_sum "P4 Br12 O4"
_cell_length_a 6.564227
_cell_length_b 10.251911
_cell_length_c 10.600444
_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 P4Br12O4P4Br12O4P4Br12O4P4Br12O4
_chemical_formula_sum "P16 Br48 O16"
_cell_length_a 13.128454
_cell_length_b 20.503822
_cell_length_c 10.600444
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | 08284197-ef61-4796-8674-793e5d55a074 | mp-545404 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2Al2O7SrGd2Al2O7SrGd2Al2O7SrGd2Al2O7SrGd2Al2O7SrGd2Al2O7
_chemical_formula_sum "Sr6 Gd12 Al12 O42"
_cell_length_a 10.27591848
_cell_length_b 20.55183696
_cell_length_c 30.827755439999997
_cell_angle_alpha 159.00615157
_cell_angle_beta ... |
SuperCellAction | d4c59c34-657d-4461-a2cb-31a2b8d55920 | mp-1200624 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... | data_image0
_chemical_formula_structural K4V6P8O40K4V6P8O40K4V6P8O40K4V6P8O40K4V6P8O40K4V6P8O40K4V6P8O40K4V6P8O40
_chemical_formula_sum "K32 V48 P64 O320"
_cell_length_a 12.549724
_cell_length_b 22.46523602
_cell_length_c 25.7110884
_cell_angle_alpha 106.62234945
_cell_angle_beta... |
SuperCellAction | a914a26c-3d87-476b-a73b-c3812c63c641 | mp-630329 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb8Se8O24Pb8Se8O24
_chemical_formula_sum "Pb16 Se16 O48"
_cell_length_a 8.07301543
_cell_length_b 17.69713118
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 2842c186-ef96-4b50-8c1e-a3946358964e | mp-1174059 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Li5MnCo2O8
_chemical_formula_sum "Li5 Mn1 Co2 O8"
_cell_length_a 9.75348313
_cell_length_b 9.75348313
_cell_length_c 5.094650180000001
_cell_angle_alpha 86.21867935
_cell_angle_beta 86.21867935
_cell_angle_gamma 17.041642740000004
... | data_image0
_chemical_formula_structural Li5MnCo2O8Li5MnCo2O8Li5MnCo2O8Li5MnCo2O8
_chemical_formula_sum "Li20 Mn4 Co8 O32"
_cell_length_a 19.50696626
_cell_length_b 19.50696626
_cell_length_c 5.094650180000001
_cell_angle_alpha 86.21867935
_cell_angle_beta 86.21867935
_cell_a... |
SuperCellAction | 18b296fb-0619-4bdc-a348-0c9a80bb52f3 | mp-1190647 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge6F16Ge6F16Ge6F16Ge6F16Ge6F16Ge6F16Ge6F16Ge6F16
_chemical_formula_sum "Ge48 F128"
_cell_length_a 9.91876778
_cell_length_b 10.15939292
_cell_length_c 23.3525038
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 9... |
SuperCellAction | 5a49594f-2a9f-4033-ab17-fd4346d538cc | mp-753124 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Ba5Bi3O11
_chemical_formula_sum "Ba5 Bi3 O11"
_cell_length_a 6.28351456
_cell_length_b 6.2835145599999995
_cell_length_c 9.235104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.03880228
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba5Bi3O11Ba5Bi3O11
_chemical_formula_sum "Ba10 Bi6 O22"
_cell_length_a 12.56702912
_cell_length_b 6.2835145599999995
_cell_length_c 9.235104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.03880228
_space_group_na... |
SuperCellAction | 19afdc66-f06c-4c5e-b7f1-d81da5c06793 | mp-1196133 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural U8P4Cl44O4
_chemical_formula_sum "U8 P4 Cl44 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_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 U8P4Cl44O4U8P4Cl44O4U8P4Cl44O4U8P4Cl44O4U8P4Cl44O4U8P4Cl44O4
_chemical_formula_sum "U48 P24 Cl264 O24"
_cell_length_a 25.551575999999997
_cell_length_b 8.615967
_cell_length_c 47.1931
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | be3ff136-1d40-483b-a732-1a367ed4a092 | mp-24402 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Ca4Al4Si4H4O20
_chemical_formula_sum "Ca4 Al4 Si4 H4 O20"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_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 Ca4Al4Si4H4O20Ca4Al4Si4H4O20Ca4Al4Si4H4O20Ca4Al4Si4H4O20
_chemical_formula_sum "Ca16 Al16 Si16 H16 O80"
_cell_length_a 5.751519
_cell_length_b 14.239954
_cell_length_c 17.210062
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 5d3a8a6e-ba29-433d-8307-ffe4f043599c | mp-1020590 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Na8N3O
_chemical_formula_sum "Na8 N3 O1"
_cell_length_a 5.788327
_cell_length_b 5.788327
_cell_length_c 5.788327
_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 Na8N3ONa8N3ONa8N3ONa8N3ONa8N3ONa8N3ONa8N3ONa8N3O
_chemical_formula_sum "Na64 N24 O8"
_cell_length_a 11.576654
_cell_length_b 11.576654
_cell_length_c 11.576654
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | b383358e-f069-4234-a560-fd46e9a749c6 | mp-22385 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural NpAl8Fe4
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_space... | data_image0
_chemical_formula_structural NpAl8Fe4NpAl8Fe4NpAl8Fe4
_chemical_formula_sum "Np3 Al24 Fe12"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 20.017536269999997
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gam... |
SuperCellAction | 62781a72-1262-493c-866a-49c1650c0cf7 | mp-26198 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Co4P8O28
_chemical_formula_sum "Co4 P8 O28"
_cell_length_a 6.14724177
_cell_length_b 6.147241770000001
_cell_length_c 12.929038539999999
_cell_angle_alpha 75.27262183
_cell_angle_beta 75.27262183
_cell_angle_gamma 80.94715248
_spac... | data_image0
_chemical_formula_structural Co4P8O28Co4P8O28Co4P8O28Co4P8O28Co4P8O28Co4P8O28Co4P8O28Co4P8O28
_chemical_formula_sum "Co32 P64 O224"
_cell_length_a 12.29448354
_cell_length_b 24.588967080000003
_cell_length_c 12.929038539999999
_cell_angle_alpha 75.27262183
_cell_angle... |
SuperCellAction | 148cacd8-12f6-49c6-8642-4fa8a4c2262b | mp-774670 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Li4Mn3Cu3Sn2O16
_chemical_formula_sum "Li4 Mn3 Cu3 Sn2 O16"
_cell_length_a 5.95631685
_cell_length_b 5.90008281
_cell_length_c 9.68288621
_cell_angle_alpha 89.97640245
_cell_angle_beta 89.09654226
_cell_angle_gamma 119.7738885699999... | data_image0
_chemical_formula_structural Li4Mn3Cu3Sn2O16Li4Mn3Cu3Sn2O16Li4Mn3Cu3Sn2O16
_chemical_formula_sum "Li12 Mn9 Cu9 Sn6 O48"
_cell_length_a 5.95631685
_cell_length_b 5.90008281
_cell_length_c 29.04865863
_cell_angle_alpha 89.97640245
_cell_angle_beta 89.09654226
_cell_... |
SuperCellAction | e41e19ae-e936-488c-b7e7-b77e3aff8d5d | mp-1522640 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural CaCeEuGeO6
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural CaCeEuGeO6CaCeEuGeO6CaCeEuGeO6
_chemical_formula_sum "Ca3 Ce3 Eu3 Ge3 O18"
_cell_length_a 17.60627994
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angl... |
SuperCellAction | c5baf111-1a34-42a5-9ef5-8ed4039b8da3 | mp-29185 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O6F4Te4O6F4Te4O6F4Te4O6F4Te4O6F4Te4O6F4
_chemical_formula_sum "Te24 O36 F24"
_cell_length_a 5.14559993
_cell_length_b 12.50129768
_cell_length_c 20.64977772
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_ce... |
SuperCellAction | 1b76a4b2-1e4b-4729-9575-cee2928a7680 | mp-752533 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Sr2La4O8
_chemical_formula_sum "Sr2 La4 O8"
_cell_length_a 6.24234218
_cell_length_b 6.24234218
_cell_length_c 11.561748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.65723719000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2La4O8Sr2La4O8Sr2La4O8Sr2La4O8Sr2La4O8Sr2La4O8Sr2La4O8Sr2La4O8
_chemical_formula_sum "Sr16 La32 O64"
_cell_length_a 24.96936872
_cell_length_b 6.24234218
_cell_length_c 23.123496
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 7d866557-9050-44fa-ac1f-621951f942d7 | mp-1105286 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu9Pd6Eu9Pd6Eu9Pd6Eu9Pd6Eu9Pd6Eu9Pd6
_chemical_formula_sum "Eu54 Pd36"
_cell_length_a 15.64631884
_cell_length_b 7.82313956
_cell_length_c 23.469281940000002
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma ... |
SuperCellAction | 7e3520a4-f77e-491a-8841-93ddbd038b3a | mp-26228 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O28V4P8O28V4P8O28V4P8O28
_chemical_formula_sum "V16 P32 O112"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 53.525692240000005
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_... |
SuperCellAction | 138b0d66-9a9c-43d7-a123-4074fed50baa | mp-1209131 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sn27Pd39Sn27Pd39Sn27Pd39Sn27Pd39Sn27Pd39Sn27Pd39
_chemical_formula_sum "Sn162 Pd234"
_cell_length_a 26.95623327
_cell_length_b 8.98541109
_cell_length_c 34.269524
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99... |
SuperCellAction | 161947b0-ba11-43d3-a001-1fd44ad82faa | mp-1218859 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Sr4Ca2Ti6O18
_chemical_formula_sum "Sr4 Ca2 Ti6 O18"
_cell_length_a 12.39689951
_cell_length_b 12.38982443
_cell_length_c 5.55699853
_cell_angle_alpha 77.11570031
_cell_angle_beta 76.97351799
_cell_angle_gamma 25.91078169999999
_sp... | data_image0
_chemical_formula_structural Sr4Ca2Ti6O18Sr4Ca2Ti6O18Sr4Ca2Ti6O18Sr4Ca2Ti6O18Sr4Ca2Ti6O18Sr4Ca2Ti6O18Sr4Ca2Ti6O18Sr4Ca2Ti6O18
_chemical_formula_sum "Sr32 Ca16 Ti48 O144"
_cell_length_a 12.39689951
_cell_length_b 24.77964886
_cell_length_c 22.22799412
_cell_angle_alpha ... |
SuperCellAction | 1ff1b1d6-30f9-4d3e-97d4-d0f2f2afe5a4 | mp-26118 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Li4Mn8P12O48
_chemical_formula_sum "Li4 Mn8 P12 O48"
_cell_length_a 8.492028
_cell_length_b 8.225922
_cell_length_c 11.70736746
_cell_angle_alpha 89.96285947999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Mn8P12O48Li4Mn8P12O48Li4Mn8P12O48Li4Mn8P12O48
_chemical_formula_sum "Li16 Mn32 P48 O192"
_cell_length_a 16.984056
_cell_length_b 8.225922
_cell_length_c 23.41473492
_cell_angle_alpha 89.96285947999999
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 40927b4b-2107-48a3-9056-649e523455af | mp-1192151 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn10As8Rb4Zn10As8Rb4Zn10As8Rb4Zn10As8
_chemical_formula_sum "Rb16 Zn40 As32"
_cell_length_a 6.82005383
_cell_length_b 27.280215319999996
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117... |
SuperCellAction | 7cbb9147-a810-41a6-aa99-c09058661e72 | mp-849991 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Li24Fe12F48
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li24Fe12F48Li24Fe12F48Li24Fe12F48Li24Fe12F48Li24Fe12F48Li24Fe12F48
_chemical_formula_sum "Li144 Fe72 F288"
_cell_length_a 14.984376
_cell_length_b 8.78959
_cell_length_c 53.60684000999999
_cell_angle_alpha 60.89034093
_cell_angle_beta ... |
SuperCellAction | 10472824-474c-426d-ab37-fc1a57aad82c | mp-2228948 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10MgSb2P2H2O10
_chemical_formula_sum "Mg2 Sb4 P4 H4 O20"
_cell_length_a 11.52651262
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma... |
SuperCellAction | a65f88d2-195e-422e-abda-8cf5311de402 | mp-1218930 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Sr4Ca2Cu4Bi4O16
_chemical_formula_sum "Sr4 Ca2 Cu4 Bi4 O16"
_cell_length_a 16.11398919
_cell_length_b 16.11398919
_cell_length_c 5.417115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.44549941
_space_group_name... | data_image0
_chemical_formula_structural Sr4Ca2Cu4Bi4O16Sr4Ca2Cu4Bi4O16Sr4Ca2Cu4Bi4O16Sr4Ca2Cu4Bi4O16Sr4Ca2Cu4Bi4O16Sr4Ca2Cu4Bi4O16Sr4Ca2Cu4Bi4O16Sr4Ca2Cu4Bi4O16
_chemical_formula_sum "Sr32 Ca16 Cu32 Bi32 O128"
_cell_length_a 32.22797838
_cell_length_b 16.11398919
_cell_length_c 21.... |
SuperCellAction | b99d5d48-0b35-406e-9419-215003b0b0d9 | mp-1212542 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural H18C6I2N12O2
_chemical_formula_sum "H18 C6 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spa... | data_image0
_chemical_formula_structural H18C6I2N12O2H18C6I2N12O2H18C6I2N12O2H18C6I2N12O2
_chemical_formula_sum "H72 C24 I8 N48 O8"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 46.579946279999994
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_c... |
SuperCellAction | 8a1f5fdd-012b-4021-b14b-e37187e19bdc | mp-1106213 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12Nd4Mg2Ir2O12Nd4Mg2Ir2O12Nd4Mg2Ir2O12
_chemical_formula_sum "Nd16 Mg8 Ir8 O48"
_cell_length_a 5.730526
_cell_length_b 11.044932
_cell_length_c 19.25415206
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | ed00479b-0328-498c-85be-9e098eb3ef64 | mp-26553 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Li2Mn3P4O14
_chemical_formula_sum "Li2 Mn3 P4 O14"
_cell_length_a 5.666978
_cell_length_b 6.9959771
_cell_length_c 7.509740429999999
_cell_angle_alpha 73.95862277
_cell_angle_beta 81.95472473999999
_cell_angle_gamma 67.66943656
_sp... | data_image0
_chemical_formula_structural Li2Mn3P4O14Li2Mn3P4O14Li2Mn3P4O14Li2Mn3P4O14
_chemical_formula_sum "Li8 Mn12 P16 O56"
_cell_length_a 5.666978
_cell_length_b 27.9839084
_cell_length_c 7.509740429999999
_cell_angle_alpha 73.95862277
_cell_angle_beta 81.95472473999999
_... |
SuperCellAction | 7356e571-ced3-43e3-9362-9545bda5ec0c | mp-1195825 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si12Br24Si12Br24Si12Br24Si12Br24Si12Br24Si12Br24Si12Br24Si12Br24
_chemical_formula_sum "Si96 Br192"
_cell_length_a 10.66445078
_cell_length_b 21.32890156
_cell_length_c 58.644406399999994
_cell_angle_alpha 72.55431714
_cell_angle_beta ... |
SuperCellAction | 5e927b4a-669a-476a-9cc2-69da41c117a5 | mp-556173 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12ZnAs2C6S12N12O6F12ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn3 As6 C18 S36 N36 O18 F36"
_cell_length_a 36.41521401
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | b46e9420-5e45-4960-9cab-448fd55db4c6 | mp-1205485 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Sc2CrReO6
_chemical_formula_sum "Sc2 Cr1 Re1 O6"
_cell_length_a 5.47141408
_cell_length_b 5.47141408
_cell_length_c 5.471414079999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Sc2CrReO6Sc2CrReO6Sc2CrReO6Sc2CrReO6Sc2CrReO6Sc2CrReO6
_chemical_formula_sum "Sc12 Cr6 Re6 O36"
_cell_length_a 10.94282816
_cell_length_b 5.47141408
_cell_length_c 16.414242239999997
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | bcc479a8-0ab9-46df-8272-024a003e75ab | mp-1245698 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Zn4Cr4N8
_chemical_formula_sum "Zn4 Cr4 N8"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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... | data_image0
_chemical_formula_structural Zn4Cr4N8Zn4Cr4N8Zn4Cr4N8Zn4Cr4N8Zn4Cr4N8Zn4Cr4N8Zn4Cr4N8Zn4Cr4N8
_chemical_formula_sum "Zn32 Cr32 N64"
_cell_length_a 5.545738
_cell_length_b 12.749056
_cell_length_c 20.930576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | 324856c0-7d5b-426a-b574-e33110c8553a | mp-1340075 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural CaNi2P4O14
_chemical_formula_sum "Ca1 Ni2 P4 O14"
_cell_length_a 6.445585
_cell_length_b 6.60223161
_cell_length_c 6.78733247
_cell_angle_alpha 114.17319242
_cell_angle_beta 87.59499806
_cell_angle_gamma 96.91312793999998
_space_gr... | data_image0
_chemical_formula_structural CaNi2P4O14CaNi2P4O14CaNi2P4O14
_chemical_formula_sum "Ca3 Ni6 P12 O42"
_cell_length_a 6.445585
_cell_length_b 6.60223161
_cell_length_c 20.36199741
_cell_angle_alpha 114.17319242
_cell_angle_beta 87.59499806
_cell_angle_gamma 96.913... |
SuperCellAction | af750e8e-5e96-4bc7-b1e8-e4bbf40ba00f | mp-1201234 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Cu4H32S12O40
_chemical_formula_sum "Cu4 H32 S12 O40"
_cell_length_a 20.699305
_cell_length_b 7.209669
_cell_length_c 7.899798069999999
_cell_angle_alpha 61.95298367
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu4H32S12O40Cu4H32S12O40Cu4H32S12O40Cu4H32S12O40Cu4H32S12O40Cu4H32S12O40Cu4H32S12O40Cu4H32S12O40
_chemical_formula_sum "Cu32 H256 S96 O320"
_cell_length_a 41.39861
_cell_length_b 7.209669
_cell_length_c 31.599192279999997
_cell_angle_alpha ... |
SuperCellAction | ec95a9ab-a403-46e3-ba5b-c1d7a6fbc664 | mp-1173581 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_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 Na8Ti8P8O40Na8Ti8P8O40Na8Ti8P8O40Na8Ti8P8O40Na8Ti8P8O40Na8Ti8P8O40Na8Ti8P8O40Na8Ti8P8O40
_chemical_formula_sum "Na64 Ti64 P64 O320"
_cell_length_a 12.65396016
_cell_length_b 10.68973363
_cell_length_c 50.90909964
_cell_angle_alpha 90.0
_ce... |
SuperCellAction | 4d579dcd-6f15-43a7-a4b6-39ba9876a0ae | mp-557500 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6
_chemical_formula_sum "Li6 Ni6 P12 S36"
_cell_length_a 5.89583925
_cell_length_b 17.68751775
_cell_length_c 13.92740082
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_a... |
SuperCellAction | 67937284-1d0c-4875-8817-ae0231b7dbb7 | mp-1214002 | Create a supercell with the size 3*2*1. | 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 Ce3P6Pd20Ce3P6Pd20Ce3P6Pd20Ce3P6Pd20Ce3P6Pd20Ce3P6Pd20
_chemical_formula_sum "Ce18 P36 Pd120"
_cell_length_a 26.09549589
_cell_length_b 17.3972583
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.033340... |
SuperCellAction | f106407c-5cd5-4e9e-92e5-d5aed7492578 | mp-1523308 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_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 Ba4Sr4Gd4Sb4O24Ba4Sr4Gd4Sb4O24Ba4Sr4Gd4Sb4O24Ba4Sr4Gd4Sb4O24Ba4Sr4Gd4Sb4O24Ba4Sr4Gd4Sb4O24Ba4Sr4Gd4Sb4O24Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba32 Sr32 Gd32 Sb32 O192"
_cell_length_a 16.9742729
_cell_length_b 16.98614326
_cell_length_c 16.9... |
SuperCellAction | 04720993-7569-40b3-938b-f95ab12130eb | mp-566278 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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_num... | data_image0
_chemical_formula_structural W4O12W4O12W4O12W4O12W4O12W4O12
_chemical_formula_sum "W24 O72"
_cell_length_a 3.884952
_cell_length_b 15.377372
_cell_length_c 23.249265
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 98fd01e3-b78d-41d2-ac7b-4026df5cb28b | mp-849652 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Li3Ti2Cu3O10
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_sp... | data_image0
_chemical_formula_structural Li3Ti2Cu3O10Li3Ti2Cu3O10Li3Ti2Cu3O10Li3Ti2Cu3O10Li3Ti2Cu3O10Li3Ti2Cu3O10
_chemical_formula_sum "Li18 Ti12 Cu18 O60"
_cell_length_a 5.13238304
_cell_length_b 15.949174710000001
_cell_length_c 15.45829006
_cell_angle_alpha 108.38343907
_cell... |
SuperCellAction | 423f91c7-25be-4345-8bb8-f17b33cd909e | mp-1103082 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Sm2Co6Ni2B2
_chemical_formula_sum "Sm2 Co6 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm2Co6Ni2B2Sm2Co6Ni2B2Sm2Co6Ni2B2
_chemical_formula_sum "Sm6 Co18 Ni6 B6"
_cell_length_a 5.02491968
_cell_length_b 15.071154600000002
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0079005... |
SuperCellAction | fd438f24-4bba-4631-a98a-c47398a78292 | mp-554185 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Al16P16O64
_chemical_formula_sum "Al16 P16 O64"
_cell_length_a 13.383214
_cell_length_b 13.383214
_cell_length_c 14.232741730000003
_cell_angle_alpha 82.59023077999998
_cell_angle_beta 82.59023077999998
_cell_angle_gamma 62.55849402... | data_image0
_chemical_formula_structural Al16P16O64Al16P16O64Al16P16O64Al16P16O64Al16P16O64Al16P16O64
_chemical_formula_sum "Al96 P96 O384"
_cell_length_a 40.149642
_cell_length_b 13.383214
_cell_length_c 28.465483460000005
_cell_angle_alpha 82.59023077999998
_cell_angle_beta ... |
SuperCellAction | 9f606207-5a99-429c-adc3-6428b2fbfb9e | mp-757246 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Li4Ti6V2O16
_chemical_formula_sum "Li4 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
... | data_image0
_chemical_formula_structural Li4Ti6V2O16Li4Ti6V2O16
_chemical_formula_sum "Li8 Ti12 V4 O32"
_cell_length_a 5.98040853
_cell_length_b 12.14543816
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma ... |
SuperCellAction | ef10416f-1fc3-41e6-b461-31ab18f3a8de | mp-1516711 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_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 Sr8Sm4Nb4O24Sr8Sm4Nb4O24Sr8Sm4Nb4O24Sr8Sm4Nb4O24Sr8Sm4Nb4O24Sr8Sm4Nb4O24Sr8Sm4Nb4O24Sr8Sm4Nb4O24
_chemical_formula_sum "Sr64 Sm32 Nb32 O192"
_cell_length_a 8.46943657
_cell_length_b 16.93887314
_cell_length_c 33.87774628
_cell_angle_alpha ... |
SuperCellAction | 63f803f1-db56-4be6-b314-1b975028d2d8 | mp-1236137 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural LiY4Bi4O12
_chemical_formula_sum "Li1 Y4 Bi4 O12"
_cell_length_a 5.96680956
_cell_length_b 6.0726233800000005
_cell_length_c 9.440687
_cell_angle_alpha 92.39237984999998
_cell_angle_beta 88.64828208
_cell_angle_gamma 94.05135863
_s... | data_image0
_chemical_formula_structural LiY4Bi4O12LiY4Bi4O12LiY4Bi4O12LiY4Bi4O12
_chemical_formula_sum "Li4 Y16 Bi16 O48"
_cell_length_a 23.86723824
_cell_length_b 6.0726233800000005
_cell_length_c 9.440687
_cell_angle_alpha 92.39237984999998
_cell_angle_beta 88.64828208
_ce... |
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