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 | ca157aef-df6d-4f7b-9993-8adf29f9edbc | mp-753628 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li2V2F12Li2V2F12Li2V2F12
_chemical_formula_sum "Li6 V6 F36"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 26.009835000000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_gr... |
SuperCellAction | c3b23caa-aa9b-4f3c-828c-e1870679236d | mp-1239137 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Zr8Cr8Cu8S32
_chemical_formula_sum "Zr8 Cr8 Cu8 S32"
_cell_length_a 11.760433
_cell_length_b 7.059517
_cell_length_c 12.452601
_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 Zr8Cr8Cu8S32Zr8Cr8Cu8S32Zr8Cr8Cu8S32Zr8Cr8Cu8S32Zr8Cr8Cu8S32Zr8Cr8Cu8S32
_chemical_formula_sum "Zr48 Cr48 Cu48 S192"
_cell_length_a 23.520866
_cell_length_b 21.178551
_cell_length_c 12.452601
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 98a78d34-f4b2-4f21-9809-5b439bac9a71 | mp-1211877 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4P2H6Se2O16K4P2H6Se2O16K4P2H6Se2O16K4P2H6Se2O16K4P2H6Se2O16K4P2H6Se2O16
_chemical_formula_sum "K24 P12 H36 Se12 O96"
_cell_length_a 7.602825
_cell_length_b 14.791448
_cell_length_c 29.11417932
_cell_angle_alpha 51.12925917
_cell_angle_bet... |
SuperCellAction | 78d8dc28-b3ec-4166-9a24-e58c1613dcb7 | mp-555576 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural K2Na2S4O14
_chemical_formula_sum "K2 Na2 S4 O14"
_cell_length_a 5.85706293
_cell_length_b 7.10730219
_cell_length_c 7.37603274
_cell_angle_alpha 100.9043664
_cell_angle_beta 90.40115408
_cell_angle_gamma 95.20157045
_space_group_na... | data_image0
_chemical_formula_structural K2Na2S4O14K2Na2S4O14
_chemical_formula_sum "K4 Na4 S8 O28"
_cell_length_a 5.85706293
_cell_length_b 14.21460438
_cell_length_c 7.37603274
_cell_angle_alpha 100.9043664
_cell_angle_beta 90.40115408
_cell_angle_gamma 95.20157045
_spa... |
SuperCellAction | e263dc10-d78c-428d-96fc-6a72961db749 | mp-1113179 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2HgBiF6Cs2HgBiF6Cs2HgBiF6Cs2HgBiF6
_chemical_formula_sum "Cs8 Hg4 Bi4 F24"
_cell_length_a 13.84979222
_cell_length_b 13.84979222
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_a... |
SuperCellAction | 476d7052-89a5-41bb-a971-d83bcbb249c0 | mp-19140 | Create a supercell with the size 3x1x1. | 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 K12Mn4O16K12Mn4O16K12Mn4O16
_chemical_formula_sum "K36 Mn12 O48"
_cell_length_a 19.495973579999998
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle... |
SuperCellAction | 04ee19ee-6164-4cac-8fd3-c8cd156aff34 | mp-9619 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12ThFe4P12ThFe4P12ThFe4P12ThFe4P12ThFe4P12
_chemical_formula_sum "Th6 Fe24 P72"
_cell_length_a 13.46298474
_cell_length_b 6.73149087
_cell_length_c 20.19447732
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_an... |
SuperCellAction | af7383c7-3401-499e-8869-9f41079deb72 | mp-1099764 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural K4Ta4O10
_chemical_formula_sum "K4 Ta4 O10"
_cell_length_a 9.00318401
_cell_length_b 9.00318401
_cell_length_c 9.00318401
_cell_angle_alpha 142.81336667
_cell_angle_beta 142.66744489
_cell_angle_gamma 53.71515557
_space_group_name_... | data_image0
_chemical_formula_structural K4Ta4O10K4Ta4O10K4Ta4O10K4Ta4O10K4Ta4O10K4Ta4O10
_chemical_formula_sum "K24 Ta24 O60"
_cell_length_a 18.00636802
_cell_length_b 27.009552030000002
_cell_length_c 9.00318401
_cell_angle_alpha 142.81336666999997
_cell_angle_beta 142.6674... |
SuperCellAction | e71b52d2-0519-4dce-80f2-c6812732d421 | mp-699431 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16
_chemical_formula_sum "Al16 H64 Se32 O128"
_cell_length_a 26.561088
_cell_length_b 7.408615
_cell_length_c 17.844089439999998
_cell_angle_alpha 54.032... |
SuperCellAction | c4c11d3f-79d0-46b8-9f5b-5b23adcbb1fb | mp-1357359 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Mg4Sb4As4O20
_chemical_formula_sum "Mg4 Sb4 As4 O20"
_cell_length_a 7.267013
_cell_length_b 7.291066
_cell_length_c 8.831991
_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 Mg4Sb4As4O20Mg4Sb4As4O20Mg4Sb4As4O20Mg4Sb4As4O20Mg4Sb4As4O20Mg4Sb4As4O20Mg4Sb4As4O20Mg4Sb4As4O20
_chemical_formula_sum "Mg32 Sb32 As32 O160"
_cell_length_a 29.068052
_cell_length_b 7.291066
_cell_length_c 17.663982
_cell_angle_alpha 90.0
_... |
SuperCellAction | bfad5908-b804-4925-9d76-d940471465de | mp-1218770 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Sr2NdSmMn4O12
_chemical_formula_sum "Sr2 Nd1 Sm1 Mn4 O12"
_cell_length_a 5.51174067
_cell_length_b 5.511740669999999
_cell_length_c 7.7975271500000005
_cell_angle_alpha 89.5560347
_cell_angle_beta 89.5560347
_cell_angle_gamma 89.502... | data_image0
_chemical_formula_structural Sr2NdSmMn4O12Sr2NdSmMn4O12Sr2NdSmMn4O12Sr2NdSmMn4O12
_chemical_formula_sum "Sr8 Nd4 Sm4 Mn16 O48"
_cell_length_a 5.51174067
_cell_length_b 11.023481339999998
_cell_length_c 15.595054300000001
_cell_angle_alpha 89.5560347
_cell_angle_beta ... |
SuperCellAction | 6691cf5a-f886-40f4-8393-1b7779df8371 | mp-2219204 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Tb2MgV2O8
_chemical_formula_sum "Tb2 Mg1 V2 O8"
_cell_length_a 6.1041527
_cell_length_b 6.1041533900000005
_cell_length_c 6.24702455
_cell_angle_alpha 105.99154206
_cell_angle_beta 105.9915478
_cell_angle_gamma 115.70602638
_space_... | data_image0
_chemical_formula_structural Tb2MgV2O8Tb2MgV2O8Tb2MgV2O8Tb2MgV2O8Tb2MgV2O8Tb2MgV2O8
_chemical_formula_sum "Tb12 Mg6 V12 O48"
_cell_length_a 18.3124581
_cell_length_b 6.1041533900000005
_cell_length_c 12.4940491
_cell_angle_alpha 105.99154206
_cell_angle_beta 105.9... |
SuperCellAction | 59a6839e-7ae5-40d0-bb31-51900d9cbc27 | mp-1201827 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Cs13Nb2In6As10
_chemical_formula_sum "Cs13 Nb2 In6 As10"
_cell_length_a 9.922238
_cell_length_b 9.97488215
_cell_length_c 14.2638583
_cell_angle_alpha 83.22926099
_cell_angle_beta 80.51304732
_cell_angle_gamma 64.6167565
_space_gro... | data_image0
_chemical_formula_structural Cs13Nb2In6As10Cs13Nb2In6As10Cs13Nb2In6As10Cs13Nb2In6As10Cs13Nb2In6As10Cs13Nb2In6As10
_chemical_formula_sum "Cs78 Nb12 In36 As60"
_cell_length_a 9.922238
_cell_length_b 29.924646449999997
_cell_length_c 28.5277166
_cell_angle_alpha 83.22926... |
SuperCellAction | 5a208879-6e93-4d1c-a790-79788eee0a69 | mp-1200944 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Pr20Si12N36
_chemical_formula_sum "Pr20 Si12 N36"
_cell_length_a 7.78838711
_cell_length_b 7.78838711
_cell_length_c 16.011699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.78336765
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr20Si12N36Pr20Si12N36Pr20Si12N36Pr20Si12N36Pr20Si12N36Pr20Si12N36Pr20Si12N36Pr20Si12N36
_chemical_formula_sum "Pr160 Si96 N288"
_cell_length_a 15.57677422
_cell_length_b 31.15354844
_cell_length_c 16.011699
_cell_angle_alpha 90.0
_cell_an... |
SuperCellAction | f9917bcb-018a-42b1-b677-5a580e185480 | mp-754454 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... | data_image0
_chemical_formula_structural Cd2Ag4O8Cd2Ag4O8Cd2Ag4O8Cd2Ag4O8
_chemical_formula_sum "Cd8 Ag16 O32"
_cell_length_a 7.26728171
_cell_length_b 29.06912684
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.6... |
SuperCellAction | 47b8274f-5703-495c-8422-ff5aafa0c62c | mp-1205853 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd4In2Au4Nd4In2Au4Nd4In2Au4Nd4In2Au4
_chemical_formula_sum "Nd16 In8 Au16"
_cell_length_a 8.04285031
_cell_length_b 16.08570062
_cell_length_c 7.84095816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 0e1f74e6-6f9c-47c9-ac5b-059163bd4b28 | mp-1197620 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K12As4P12Se36K12As4P12Se36K12As4P12Se36K12As4P12Se36
_chemical_formula_sum "K48 As16 P48 Se144"
_cell_length_a 46.90867004
_cell_length_b 8.22297513
_cell_length_c 24.66801592
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_... |
SuperCellAction | 552f1626-44c2-4fae-9ab6-be70d755549b | mp-862605 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Rb4Zr6CCl18
_chemical_formula_sum "Rb4 Zr6 C1 Cl18"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_space_g... | data_image0
_chemical_formula_structural Rb4Zr6CCl18Rb4Zr6CCl18Rb4Zr6CCl18Rb4Zr6CCl18
_chemical_formula_sum "Rb16 Zr24 C4 Cl72"
_cell_length_a 20.66570248
_cell_length_b 20.66570248
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_an... |
SuperCellAction | fe95a3ae-5c4c-4658-85fc-458ff793dd71 | mp-1376805 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe5OF11Li3Fe5OF11Li3Fe5OF11Li3Fe5OF11Li3Fe5OF11Li3Fe5OF11
_chemical_formula_sum "Li18 Fe30 O6 F66"
_cell_length_a 15.768243
_cell_length_b 11.37541464
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.0980... |
SuperCellAction | f7eb3a77-a69e-4083-92da-d7702db39dde | mp-600520 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16Sr2Cu2H8C8O16Sr2Cu2H8C8O16Sr2Cu2H8C8O16
_chemical_formula_sum "Sr8 Cu8 H32 C32 O64"
_cell_length_a 8.964034
_cell_length_b 29.31532
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 015a9f2f-93b6-45ae-a5fc-e1f15c7a6670 | mp-1079383 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ce4In2Cu4Ce4In2Cu4Ce4In2Cu4Ce4In2Cu4
_chemical_formula_sum "Ce16 In8 Cu16"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 12.618156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | 450093b5-108b-4afd-b507-467bb6aedb5c | mp-1245832 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Ca4Cu4N4
_chemical_formula_sum "Ca4 Cu4 N4"
_cell_length_a 8.91002794
_cell_length_b 3.83720965
_cell_length_c 6.75468884
_cell_angle_alpha 89.99999708
_cell_angle_beta 110.05152432999999
_cell_angle_gamma 77.56504692
_space_group_... | data_image0
_chemical_formula_structural Ca4Cu4N4Ca4Cu4N4
_chemical_formula_sum "Ca8 Cu8 N8"
_cell_length_a 17.82005588
_cell_length_b 3.83720965
_cell_length_c 6.75468884
_cell_angle_alpha 89.99999708
_cell_angle_beta 110.05152432999999
_cell_angle_gamma 77.56504692
_spa... |
SuperCellAction | e43f24e9-6349-449a-b5fa-ae71e5d5a634 | mp-1210244 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Pr46Mg8Pt14
_chemical_formula_sum "Pr46 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... | data_image0
_chemical_formula_structural Pr46Mg8Pt14Pr46Mg8Pt14
_chemical_formula_sum "Pr92 Mg16 Pt28"
_cell_length_a 10.22769297
_cell_length_b 20.455385939999996
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_spac... |
SuperCellAction | fd4aa028-026d-4251-8f7c-2fbdf84666a3 | mp-1215754 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Zr4Ti6Si6
_chemical_formula_sum "Zr4 Ti6 Si6"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Zr4Ti6Si6Zr4Ti6Si6Zr4Ti6Si6Zr4Ti6Si6
_chemical_formula_sum "Zr16 Ti24 Si24"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 30.862952920000005
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | bbd5064d-5dd6-4886-9779-f50aa9e282c8 | mp-1195048 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30Na2Ca2Mn6Si10H2O30Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na6 Ca6 Mn18 Si30 H6 O90"
_cell_length_a 20.646029910000003
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta ... |
SuperCellAction | 6fab18cc-dc27-4964-a327-6e54098a586a | mp-2224471 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural MgFe4P12O36
_chemical_formula_sum "Mg1 Fe4 P12 O36"
_cell_length_a 8.59775702
_cell_length_b 8.67828602
_cell_length_c 8.84301149
_cell_angle_alpha 89.70753084
_cell_angle_beta 90.84395481
_cell_angle_gamma 90.52704608
_space_group... | data_image0
_chemical_formula_structural MgFe4P12O36MgFe4P12O36
_chemical_formula_sum "Mg2 Fe8 P24 O72"
_cell_length_a 8.59775702
_cell_length_b 17.35657204
_cell_length_c 8.84301149
_cell_angle_alpha 89.70753084
_cell_angle_beta 90.84395481
_cell_angle_gamma 90.52704608
... |
SuperCellAction | 9d6c3b7e-3031-4ec9-b6ad-e24ca802b209 | mp-1226598 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... | data_image0
_chemical_formula_structural CeTh3O8CeTh3O8CeTh3O8CeTh3O8CeTh3O8CeTh3O8
_chemical_formula_sum "Ce6 Th18 O48"
_cell_length_a 26.04579496
_cell_length_b 39.06869244
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000002
_cell_angle_beta 17.38526101
_cell_ang... |
SuperCellAction | 82ee21c4-b120-4d9c-85ba-8345a7c5de20 | mp-1180291 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... | data_image0
_chemical_formula_structural MnFe2P2O18MnFe2P2O18MnFe2P2O18
_chemical_formula_sum "Mn3 Fe6 P6 O54"
_cell_length_a 15.976296000000001
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma ... |
SuperCellAction | 3943a6da-895b-47c3-aa9b-61b16de45014 | mp-1096906 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... | data_image0
_chemical_formula_structural Cr16N32Cr16N32Cr16N32Cr16N32
_chemical_formula_sum "Cr64 N128"
_cell_length_a 8.26778468
_cell_length_b 25.035793160000004
_cell_length_c 25.03579352
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63... |
SuperCellAction | 4859f8f4-36af-417a-bac6-e168ee1df456 | mp-754319 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3NbNi4O8Li3NbNi4O8Li3NbNi4O8Li3NbNi4O8
_chemical_formula_sum "Li12 Nb4 Ni16 O32"
_cell_length_a 11.936992
_cell_length_b 11.935803180000002
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
... |
SuperCellAction | 37843978-9fab-4f9b-ba32-deaf1628f759 | mp-1195192 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Na3Tb3H6S6O27
_chemical_formula_sum "Na3 Tb3 H6 S6 O27"
_cell_length_a 6.980523
_cell_length_b 6.98052253
_cell_length_c 12.797699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999747000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3Tb3H6S6O27Na3Tb3H6S6O27
_chemical_formula_sum "Na6 Tb6 H12 S12 O54"
_cell_length_a 13.961046
_cell_length_b 6.98052253
_cell_length_c 12.797699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999747000001
_s... |
SuperCellAction | c6bc556d-fd46-4a72-a6f2-6da336e67040 | mp-1247343 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12Ca10Ti4N12
_chemical_formula_sum "Ca20 Ti8 N24"
_cell_length_a 12.21315158
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.4543524... |
SuperCellAction | d1b54de0-e650-4343-b2d1-77416fd334cf | mp-645158 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural La4Mn4O12
_chemical_formula_sum "La4 Mn4 O12"
_cell_length_a 10.297857
_cell_length_b 5.674393
_cell_length_c 6.043189749999999
_cell_angle_alpha 70.70900253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4Mn4O12La4Mn4O12La4Mn4O12La4Mn4O12
_chemical_formula_sum "La16 Mn16 O48"
_cell_length_a 20.595714
_cell_length_b 5.674393
_cell_length_c 12.086379499999998
_cell_angle_alpha 70.70900253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | 11ac52de-c2a8-48e3-8994-74faad6d583b | mp-1226695 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Co2H30Br4N12O4
_chemical_formula_sum "Co2 H30 Br4 N12 O4"
_cell_length_a 6.9257375
_cell_length_b 6.84391893
_cell_length_c 11.04345546
_cell_angle_alpha 86.0682391
_cell_angle_beta 85.75641914
_cell_angle_gamma 80.75787772
_space_... | data_image0
_chemical_formula_structural Co2H30Br4N12O4Co2H30Br4N12O4
_chemical_formula_sum "Co4 H60 Br8 N24 O8"
_cell_length_a 6.9257375
_cell_length_b 13.68783786
_cell_length_c 11.04345546
_cell_angle_alpha 86.0682391
_cell_angle_beta 85.75641914
_cell_angle_gamma 80.75... |
SuperCellAction | 67fcfa57-c741-459b-9abb-3b6a53290f86 | mp-1028731 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Te2W4Se6
_chemical_formula_sum "Te2 W4 Se6"
_cell_length_a 3.38041365
_cell_length_b 3.3804136500000004
_cell_length_c 38.560445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999322999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Te2W4Se6Te2W4Se6
_chemical_formula_sum "Te4 W8 Se12"
_cell_length_a 3.38041365
_cell_length_b 6.760827300000001
_cell_length_c 38.560445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999322999999
_space_group... |
SuperCellAction | d5b5a3ac-f79e-4bfa-8013-e3b5c935bff5 | mp-1239127 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_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 Hf4Cr4Cu4S16Hf4Cr4Cu4S16Hf4Cr4Cu4S16
_chemical_formula_sum "Hf12 Cr12 Cu12 S48"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 30.786636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 714a01e8-c54b-49ad-9612-f6874f473402 | mp-997587 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural La7ScAl8O24
_chemical_formula_sum "La7 Sc1 Al8 O24"
_cell_length_a 7.570756
_cell_length_b 7.570756
_cell_length_c 7.570756
_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 La7ScAl8O24La7ScAl8O24La7ScAl8O24La7ScAl8O24La7ScAl8O24La7ScAl8O24
_chemical_formula_sum "La42 Sc6 Al48 O144"
_cell_length_a 7.570756
_cell_length_b 15.141512
_cell_length_c 22.712268
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 51127266-fc14-4a86-b302-2b81650af587 | mp-23013 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 U4Cl8O8U4Cl8O8U4Cl8O8U4Cl8O8U4Cl8O8U4Cl8O8
_chemical_formula_sum "U24 Cl48 O48"
_cell_length_a 5.76341914
_cell_length_b 16.88810408
_cell_length_c 26.21400348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | f8dc9672-875b-4066-87ae-efbbf102aada | mp-1103810 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Y6Al2C6
_chemical_formula_sum "Y6 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_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 Y6Al2C6Y6Al2C6Y6Al2C6Y6Al2C6Y6Al2C6Y6Al2C6
_chemical_formula_sum "Y36 Al12 C36"
_cell_length_a 7.15571624
_cell_length_b 21.16206123
_cell_length_c 9.96492032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | f6182eb5-8516-4098-ab20-2f07de5d6198 | mp-1210328 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Ni2P4O20
_chemical_formula_sum "Ni2 P4 O20"
_cell_length_a 9.553455
_cell_length_b 5.181696
_cell_length_c 8.57377695
_cell_angle_alpha 56.20746677999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ni2P4O20Ni2P4O20Ni2P4O20Ni2P4O20Ni2P4O20Ni2P4O20Ni2P4O20Ni2P4O20
_chemical_formula_sum "Ni16 P32 O160"
_cell_length_a 19.10691
_cell_length_b 5.181696
_cell_length_c 34.2951078
_cell_angle_alpha 56.20746677999998
_cell_angle_beta 90.0
... |
SuperCellAction | 28d49e73-9a4a-4868-b158-cba005ce5046 | mp-759150 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... | data_image0
_chemical_formula_structural Li4V4O4F8Li4V4O4F8Li4V4O4F8Li4V4O4F8
_chemical_formula_sum "Li16 V16 O16 F32"
_cell_length_a 13.24619002
_cell_length_b 13.24619002
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma ... |
SuperCellAction | d323ab51-ec5e-4b0f-8481-309dc988de09 | mp-1017159 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Rb2Mg12C2
_chemical_formula_sum "Rb2 Mg12 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_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 Rb2Mg12C2Rb2Mg12C2Rb2Mg12C2Rb2Mg12C2Rb2Mg12C2Rb2Mg12C2Rb2Mg12C2Rb2Mg12C2
_chemical_formula_sum "Rb16 Mg96 C16"
_cell_length_a 13.133036
_cell_length_b 16.622512
_cell_length_c 14.580709
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | 51202262-1f05-4647-b72f-608f47c4c249 | mp-2240405 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... | data_image0
_chemical_formula_structural MgMn2Ag2O6MgMn2Ag2O6
_chemical_formula_sum "Mg2 Mn4 Ag4 O12"
_cell_length_a 10.60449816
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.9955... |
SuperCellAction | f4b68685-1f94-45cd-affd-d1b683183092 | mp-1289597 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Mn4B4O12
_chemical_formula_sum "Mn4 B4 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn4B4O12Mn4B4O12Mn4B4O12Mn4B4O12Mn4B4O12Mn4B4O12
_chemical_formula_sum "Mn24 B24 O72"
_cell_length_a 4.68409486
_cell_length_b 10.91499262
_cell_length_c 22.02951399
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_... |
SuperCellAction | c4806684-2727-4b21-9ec4-c0017f60a17a | mp-1208931 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Sr2ErCu2Bi2O8
_chemical_formula_sum "Sr2 Er1 Cu2 Bi2 O8"
_cell_length_a 15.46020447
_cell_length_b 15.460204469999999
_cell_length_c 15.46020447
_cell_angle_alpha 165.95452037
_cell_angle_beta 165.95452037
_cell_angle_gamma 19.91368... | data_image0
_chemical_formula_structural Sr2ErCu2Bi2O8Sr2ErCu2Bi2O8Sr2ErCu2Bi2O8Sr2ErCu2Bi2O8
_chemical_formula_sum "Sr8 Er4 Cu8 Bi8 O32"
_cell_length_a 15.46020447
_cell_length_b 30.920408939999998
_cell_length_c 30.92040894
_cell_angle_alpha 165.95452037
_cell_angle_beta 16... |
SuperCellAction | b1ed92b7-b626-41ee-b4f6-50503ff070eb | mp-1520897 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6
_chemical_formula_sum "Sr8 Cr4 Bi4 O24"
_cell_length_a 5.78690587
_cell_length_b 11.57381174
_cell_length_c 11.57381174
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_a... |
SuperCellAction | a33632a9-0324-42c3-9d6a-31c9fb7ef89e | mp-1106214 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Lu6Ge6Pd6
_chemical_formula_sum "Lu6 Ge6 Pd6"
_cell_length_a 11.2242062
_cell_length_b 11.2242062
_cell_length_c 11.2242062
_cell_angle_alpha 157.54988981
_cell_angle_beta 140.37210418999996
_cell_angle_gamma 46.01936493
_space_gro... | data_image0
_chemical_formula_structural Lu6Ge6Pd6Lu6Ge6Pd6Lu6Ge6Pd6Lu6Ge6Pd6
_chemical_formula_sum "Lu24 Ge24 Pd24"
_cell_length_a 11.2242062
_cell_length_b 44.8968248
_cell_length_c 11.2242062
_cell_angle_alpha 157.54988981
_cell_angle_beta 140.37210418999996
_cell_angle_ga... |
SuperCellAction | dfe07755-4dcd-4267-b942-c37ffc1df15d | mp-1076627 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20Sr8Ti4Mn4O20Sr8Ti4Mn4O20
_chemical_formula_sum "Sr24 Ti12 Mn12 O60"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 34.210806
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gam... |
SuperCellAction | 9427fd2d-7bf3-4e6f-a8d1-47f3899922d9 | mp-1027627 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te2Mo4Se2S4Te2Mo4Se2S4Te2Mo4Se2S4Te2Mo4Se2S4
_chemical_formula_sum "Te8 Mo16 Se8 S16"
_cell_length_a 3.30911865
_cell_length_b 6.6182373
_cell_length_c 75.16762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000... |
SuperCellAction | 4b5a242e-aff2-49ce-8500-2dac42b4b56c | mp-1236250 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural LiCo5SbO8
_chemical_formula_sum "Li1 Co5 Sb1 O8"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... | data_image0
_chemical_formula_structural LiCo5SbO8LiCo5SbO8
_chemical_formula_sum "Li2 Co10 Sb2 O16"
_cell_length_a 6.32081318
_cell_length_b 11.91889902
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.... |
SuperCellAction | 362efe81-7358-4164-ac72-659cd872dbf9 | mp-734319 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Rb4Fe4H16Cl12O8
_chemical_formula_sum "Rb4 Fe4 H16 Cl12 O8"
_cell_length_a 7.040363
_cell_length_b 8.988614
_cell_length_c 11.436915
_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 Rb4Fe4H16Cl12O8Rb4Fe4H16Cl12O8Rb4Fe4H16Cl12O8Rb4Fe4H16Cl12O8
_chemical_formula_sum "Rb16 Fe16 H64 Cl48 O32"
_cell_length_a 7.040363
_cell_length_b 8.988614
_cell_length_c 45.74766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 20e10fcb-a45c-442b-aac5-4aeed9398375 | mp-780891 | Create a supercell with the size 2×1×3. | 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 Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2
_chemical_formula_sum "Fe48 O84 F12"
_cell_length_a 14.39261154
_cell_length_b 7.19630577
_cell_length_c 16.55724351
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angl... |
SuperCellAction | 17847013-389e-4981-a545-addd64372ec6 | mp-1201935 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28
_chemical_formula_sum "K64 P64 H128 O224"
_cell_length_a 15.673778
_cell_length_b 20.36688566
_cell_length_c 20.75316936
_cell_angle_alpha 93.40981959000001
_... |
SuperCellAction | e4f6b0e6-24ac-421a-a578-9dec917950f2 | mp-1246907 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... | data_image0
_chemical_formula_structural Sr6Co4N8Sr6Co4N8Sr6Co4N8Sr6Co4N8Sr6Co4N8Sr6Co4N8
_chemical_formula_sum "Sr36 Co24 N48"
_cell_length_a 14.13618818
_cell_length_b 25.91093421
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cel... |
SuperCellAction | 58a8288b-db43-406c-b560-7a3444902005 | mp-1180875 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Mn2N12O32
_chemical_formula_sum "Mn2 N12 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2N12O32Mn2N12O32
_chemical_formula_sum "Mn4 N24 O64"
_cell_length_a 13.669244
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | 2d302053-8539-46b6-9858-b3221afecea5 | mp-1247342 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Li24V8N16
_chemical_formula_sum "Li24 V8 N16"
_cell_length_a 8.34245324
_cell_length_b 9.63303509
_cell_length_c 9.63303547
_cell_angle_alpha 90.00000096
_cell_angle_beta 125.26438879
_cell_angle_gamma 54.73560962
_space_group_name... | data_image0
_chemical_formula_structural Li24V8N16Li24V8N16Li24V8N16
_chemical_formula_sum "Li72 V24 N48"
_cell_length_a 8.34245324
_cell_length_b 9.63303509
_cell_length_c 28.899106409999995
_cell_angle_alpha 90.00000096
_cell_angle_beta 125.26438879
_cell_angle_gamma 54.... |
SuperCellAction | f23352d9-5431-47b1-84e9-e5a0985f4a07 | mp-705551 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... | data_image0
_chemical_formula_structural Fe15O16Fe15O16Fe15O16Fe15O16Fe15O16Fe15O16
_chemical_formula_sum "Fe90 O96"
_cell_length_a 6.247103
_cell_length_b 12.53064464
_cell_length_c 26.30471427
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamm... |
SuperCellAction | 7492ac92-c7e9-422f-a19f-7e130d2bc62d | mp-580327 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Gd6Al4Ni12
_chemical_formula_sum "Gd6 Al4 Ni12"
_cell_length_a 7.7155987
_cell_length_b 7.71560592
_cell_length_c 7.71561356
_cell_angle_alpha 109.44377817
_cell_angle_beta 109.4436389
_cell_angle_gamma 109.52528551000002
_space_gr... | data_image0
_chemical_formula_structural Gd6Al4Ni12Gd6Al4Ni12Gd6Al4Ni12Gd6Al4Ni12
_chemical_formula_sum "Gd24 Al16 Ni48"
_cell_length_a 7.7155987
_cell_length_b 15.43121184
_cell_length_c 15.43122712
_cell_angle_alpha 109.44377817
_cell_angle_beta 109.4436389
_cell_angle_gamm... |
SuperCellAction | 4146d18d-7f1b-478e-a61e-695aeb8ca205 | mp-570469 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Pr10Tl6
_chemical_formula_sum "Pr10 Tl6"
_cell_length_a 6.36229245
_cell_length_b 9.514886500000001
_cell_length_c 9.51492551
_cell_angle_alpha 83.59895496
_cell_angle_beta 70.46806593
_cell_angle_gamma 70.46798067
_space_group_nam... | data_image0
_chemical_formula_structural Pr10Tl6Pr10Tl6Pr10Tl6Pr10Tl6Pr10Tl6Pr10Tl6
_chemical_formula_sum "Pr60 Tl36"
_cell_length_a 12.7245849
_cell_length_b 9.514886500000001
_cell_length_c 28.544776529999996
_cell_angle_alpha 83.59895496
_cell_angle_beta 70.46806593
_cell_... |
SuperCellAction | c2fe33b9-883e-4c0c-a0d7-2cb56dfb6214 | mp-755245 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Li2Cu2P2O8
_chemical_formula_sum "Li2 Cu2 P2 O8"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Cu2P2O8Li2Cu2P2O8Li2Cu2P2O8Li2Cu2P2O8Li2Cu2P2O8Li2Cu2P2O8
_chemical_formula_sum "Li12 Cu12 P12 O48"
_cell_length_a 9.80790206
_cell_length_b 14.71185309
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 76210d73-b4b0-4887-9595-bc8d4891396b | mp-1523147 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural SrNdMgWO6
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural SrNdMgWO6SrNdMgWO6SrNdMgWO6
_chemical_formula_sum "Sr3 Nd3 Mg3 W3 O18"
_cell_length_a 5.64963695
_cell_length_b 16.94891085
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... |
SuperCellAction | 34b0aea0-f74e-4d16-8de9-e124610e480e | mp-1037735 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural YMg30VO32
_chemical_formula_sum "Y1 Mg30 V1 O32"
_cell_length_a 8.622251
_cell_length_b 8.622251
_cell_length_c 8.636474
_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 YMg30VO32YMg30VO32YMg30VO32YMg30VO32YMg30VO32YMg30VO32
_chemical_formula_sum "Y6 Mg180 V6 O192"
_cell_length_a 25.866753000000003
_cell_length_b 17.244502
_cell_length_c 8.636474
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | f1b3b85e-fb4e-4b62-ad6f-954c16793ae5 | mp-1217721 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb6Al8Fe4Tb6Al8Fe4Tb6Al8Fe4Tb6Al8Fe4
_chemical_formula_sum "Tb24 Al32 Fe16"
_cell_length_a 5.41548454
_cell_length_b 10.84227982
_cell_length_c 26.86904094
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_ga... |
SuperCellAction | bf5071ee-a695-48f0-b375-d144c00ca8d2 | mp-1096957 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Cr24N48Cr24N48Cr24N48Cr24N48Cr24N48Cr24N48
_chemical_formula_sum "Cr144 N288"
_cell_length_a 5.55733
_cell_length_b 18.018318
_cell_length_c 87.453834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 90b216b6-56e0-4941-a676-279d213b3df5 | mp-558751 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... | data_image0
_chemical_formula_structural Ca8Bi16O32Ca8Bi16O32Ca8Bi16O32Ca8Bi16O32
_chemical_formula_sum "Ca32 Bi64 O128"
_cell_length_a 40.78696524
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_an... |
SuperCellAction | 8c8f3ebf-96ae-4c3e-a1b6-847282f3a1f6 | mp-1185731 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... | data_image0
_chemical_formula_structural Mg16ScAl12Mg16ScAl12Mg16ScAl12Mg16ScAl12Mg16ScAl12Mg16ScAl12Mg16ScAl12Mg16ScAl12
_chemical_formula_sum "Mg128 Sc8 Al96"
_cell_length_a 9.16029477
_cell_length_b 36.64117908
_cell_length_c 18.03668092
_cell_angle_alpha 70.75163881999998
_ce... |
SuperCellAction | be2441fd-0ff9-4ba2-92ed-f1467c100809 | mp-6488 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural K8Ti8As8O40
_chemical_formula_sum "K8 Ti8 As8 O40"
_cell_length_a 6.680827
_cell_length_b 10.926278
_cell_length_c 13.349936
_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 K8Ti8As8O40K8Ti8As8O40
_chemical_formula_sum "K16 Ti16 As16 O80"
_cell_length_a 6.680827
_cell_length_b 21.852556
_cell_length_c 13.349936
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | 1b717655-f87c-4d4d-af2b-d97184731711 | mp-1198520 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Cu8S2O24
_chemical_formula_sum "Cu8 S2 O24"
_cell_length_a 5.194531
_cell_length_b 5.88042304
_cell_length_c 14.122911279999999
_cell_angle_alpha 93.28651424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cu8S2O24Cu8S2O24Cu8S2O24Cu8S2O24Cu8S2O24Cu8S2O24Cu8S2O24Cu8S2O24
_chemical_formula_sum "Cu64 S16 O192"
_cell_length_a 10.389062
_cell_length_b 5.88042304
_cell_length_c 56.491645119999994
_cell_angle_alpha 93.28651424
_cell_angle_beta ... |
SuperCellAction | c941f592-0059-4cfc-8240-d06aa56e0202 | mp-757107 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... | data_image0
_chemical_formula_structural Li4Fe4Si4O14Li4Fe4Si4O14Li4Fe4Si4O14Li4Fe4Si4O14
_chemical_formula_sum "Li16 Fe16 Si16 O56"
_cell_length_a 4.93703652
_cell_length_b 53.36263964
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_... |
SuperCellAction | f8fd7a21-09bf-486f-8034-32611f5ce773 | mp-1106293 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Eu4Zr4O12
_chemical_formula_sum "Eu4 Zr4 O12"
_cell_length_a 5.74546581
_cell_length_b 5.84474033
_cell_length_c 8.1659234
_cell_angle_alpha 90.0000538
_cell_angle_beta 90.0001131
_cell_angle_gamma 90.00000107
_space_group_name_H-M... | data_image0
_chemical_formula_structural Eu4Zr4O12Eu4Zr4O12Eu4Zr4O12Eu4Zr4O12Eu4Zr4O12Eu4Zr4O12Eu4Zr4O12Eu4Zr4O12
_chemical_formula_sum "Eu32 Zr32 O96"
_cell_length_a 11.49093162
_cell_length_b 23.37896132
_cell_length_c 8.1659234
_cell_angle_alpha 90.0000538
_cell_angle_beta ... |
SuperCellAction | cb5fd7d5-49b1-4b73-b3d7-d2d45c64c660 | mp-1667139 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28Na4Li8Fe4P4C4O28Na4Li8Fe4P4C4O28Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na16 Li32 Fe16 P16 C16 O112"
_cell_length_a 10.12773064
_cell_length_b 11.2248252
_cell_length_c 21.34528542
_cell_angle_alpha 104.4699212
_cell_angle_... |
SuperCellAction | 0bd3a087-1d3b-4dc2-a1d2-f1621203581a | mp-1197452 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ni4P4C20O8Ni4P4C20O8Ni4P4C20O8Ni4P4C20O8
_chemical_formula_sum "Ni16 P16 C80 O32"
_cell_length_a 7.12980752
_cell_length_b 42.1518552
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.7693554... |
SuperCellAction | 83c79e8e-16b4-4abe-9425-1b33ee5203ab | mp-1047 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... | data_image0
_chemical_formula_structural Ca6N4Ca6N4
_chemical_formula_sum "Ca12 N8"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 13.150075460000002
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
... |
SuperCellAction | 9a515fe5-1303-4908-845b-451ee7f119fc | mp-695955 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural P6H22N8O18
_chemical_formula_sum "P6 H22 N8 O18"
_cell_length_a 8.034132
_cell_length_b 8.26015182
_cell_length_c 8.52604156
_cell_angle_alpha 78.17442647
_cell_angle_beta 75.33512221
_cell_angle_gamma 86.16244251999998
_space_grou... | data_image0
_chemical_formula_structural P6H22N8O18P6H22N8O18P6H22N8O18P6H22N8O18
_chemical_formula_sum "P24 H88 N32 O72"
_cell_length_a 8.034132
_cell_length_b 8.26015182
_cell_length_c 34.10416624
_cell_angle_alpha 78.17442647
_cell_angle_beta 75.33512221
_cell_angle_gamma ... |
SuperCellAction | 88fbf425-a788-4061-943a-a40b59333254 | mp-676665 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba16 Ta8 Ti4 Zn4 O48"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 20.20684492
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angl... |
SuperCellAction | b33d5518-ec55-4db6-a15f-4e26b3208eec | mp-1193985 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6Ta2Co21B6Ta2Co21B6Ta2Co21B6
_chemical_formula_sum "Ta8 Co84 B24"
_cell_length_a 7.42278272
_cell_length_b 14.84556544
_cell_length_c 14.84556544
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angl... |
SuperCellAction | 5d4c53d5-704f-4519-bdbd-3db8cb550c14 | mp-1213900 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Co8S12N8O48
_chemical_formula_sum "Co8 S12 N8 O48"
_cell_length_a 9.906579
_cell_length_b 9.906579
_cell_length_c 9.906579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Co8S12N8O48Co8S12N8O48Co8S12N8O48Co8S12N8O48Co8S12N8O48Co8S12N8O48Co8S12N8O48Co8S12N8O48
_chemical_formula_sum "Co64 S96 N64 O384"
_cell_length_a 9.906579
_cell_length_b 19.813158
_cell_length_c 39.626316
_cell_angle_alpha 90.0
_cell_angle... |
SuperCellAction | 911ef812-18dd-4323-8200-2fc8d4221a3b | mp-2228948 | Create a supercell with the size 4×1×2. | 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 MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10
_chemical_formula_sum "Mg8 Sb16 P16 H16 O80"
_cell_length_a 23.05302524
_cell_length_b 8.85352955
_cell_length_c 10.41372662
_cell_angle_alpha ... |
SuperCellAction | 50028182-39d5-4cf9-9f35-97f1bc1c1243 | mp-1046973 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16Nb4Zn4Ni2O16Nb4Zn4Ni2O16Nb4Zn4Ni2O16
_chemical_formula_sum "Nb16 Zn16 Ni8 O64"
_cell_length_a 10.09959759
_cell_length_b 20.19919518
_cell_length_c 10.516894
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_... |
SuperCellAction | 4ed16928-9a15-4e47-a443-88c7eeedc21f | mp-1228150 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Ba3LaNb3O12
_chemical_formula_sum "Ba3 La1 Nb3 O12"
_cell_length_a 9.93219031
_cell_length_b 9.932190310000001
_cell_length_c 9.93218995
_cell_angle_alpha 34.142241270000014
_cell_angle_beta 34.142241270000014
_cell_angle_gamma 34.1... | data_image0
_chemical_formula_structural Ba3LaNb3O12Ba3LaNb3O12Ba3LaNb3O12Ba3LaNb3O12Ba3LaNb3O12Ba3LaNb3O12
_chemical_formula_sum "Ba18 La6 Nb18 O72"
_cell_length_a 29.796570929999998
_cell_length_b 19.864380620000002
_cell_length_c 9.93218995
_cell_angle_alpha 34.142241270000014... |
SuperCellAction | 50174d98-a459-4506-8cd8-57170ba53fc7 | mp-2240197 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural MgV2H2O5
_chemical_formula_sum "Mg1 V2 H2 O5"
_cell_length_a 3.08567311
_cell_length_b 5.18458825
_cell_length_c 6.51517495
_cell_angle_alpha 101.57425296
_cell_angle_beta 103.70241191
_cell_angle_gamma 89.99272988000001
_space_gro... | data_image0
_chemical_formula_structural MgV2H2O5MgV2H2O5MgV2H2O5MgV2H2O5
_chemical_formula_sum "Mg4 V8 H8 O20"
_cell_length_a 3.08567311
_cell_length_b 20.738353
_cell_length_c 6.51517495
_cell_angle_alpha 101.57425296
_cell_angle_beta 103.70241191
_cell_angle_gamma 89.99... |
SuperCellAction | 3bac656a-dae7-41aa-a050-79568dfdc50a | mp-1100332 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Ca4Sn2S8
_chemical_formula_sum "Ca4 Sn2 S8"
_cell_length_a 7.98651512
_cell_length_b 7.98651512
_cell_length_c 7.986515119999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Ca4Sn2S8Ca4Sn2S8Ca4Sn2S8Ca4Sn2S8Ca4Sn2S8Ca4Sn2S8Ca4Sn2S8Ca4Sn2S8
_chemical_formula_sum "Ca32 Sn16 S64"
_cell_length_a 7.98651512
_cell_length_b 31.94606048
_cell_length_c 15.973030239999998
_cell_angle_alpha 59.999999999999986
_cell_angle_... |
SuperCellAction | 0fff8ef4-2929-4182-b90b-46350c5e950e | mp-31430 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Na16In8
_chemical_formula_sum "Na16 In8"
_cell_length_a 8.15097133
_cell_length_b 8.15097091
_cell_length_c 11.60454069
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.66587737
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na16In8Na16In8Na16In8Na16In8Na16In8Na16In8
_chemical_formula_sum "Na96 In48"
_cell_length_a 24.452913990000003
_cell_length_b 8.15097091
_cell_length_c 23.20908138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.6... |
SuperCellAction | 6793fb1e-779a-4d3d-b266-cbebd0002d63 | mp-2715422 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48
_chemical_formula_sum "Na96 Sc32 Al32 P96 O384"
_cell_length_a 61.20704736
_cell_length_b 8.79478446
_cell_length_c ... |
SuperCellAction | 75a96511-27e0-4aae-a788-8c56d61d422e | mp-558850 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Rb2Nd2W4O16
_chemical_formula_sum "Rb2 Nd2 W4 O16"
_cell_length_a 7.76133376
_cell_length_b 7.76133376
_cell_length_c 7.59294762
_cell_angle_alpha 62.74418263
_cell_angle_beta 62.74418263
_cell_angle_gamma 89.31264594
_space_group_... | data_image0
_chemical_formula_structural Rb2Nd2W4O16Rb2Nd2W4O16Rb2Nd2W4O16Rb2Nd2W4O16Rb2Nd2W4O16Rb2Nd2W4O16
_chemical_formula_sum "Rb12 Nd12 W24 O96"
_cell_length_a 7.76133376
_cell_length_b 23.284001280000002
_cell_length_c 15.18589524
_cell_angle_alpha 62.74418263
_cell_angle_b... |
SuperCellAction | f6c64d48-d302-4e4d-b143-7d63f0d432a0 | mp-30276 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... | data_image0
_chemical_formula_structural Ce20Ga10Cl8Ce20Ga10Cl8Ce20Ga10Cl8Ce20Ga10Cl8Ce20Ga10Cl8Ce20Ga10Cl8
_chemical_formula_sum "Ce120 Ga60 Cl48"
_cell_length_a 49.73301861
_cell_length_b 16.577672870000004
_cell_length_c 33.15534574
_cell_angle_alpha 152.84439716
_cell_angle_b... |
SuperCellAction | 11e0637e-91d1-4fbd-b209-927b49ed7fd8 | mp-1246300 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Bi16Se12N8
_chemical_formula_sum "Bi16 Se12 N8"
_cell_length_a 7.18073703
_cell_length_b 11.15247521
_cell_length_c 11.08990782
_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 Bi16Se12N8Bi16Se12N8Bi16Se12N8Bi16Se12N8Bi16Se12N8Bi16Se12N8
_chemical_formula_sum "Bi96 Se72 N48"
_cell_length_a 21.542211090000002
_cell_length_b 22.30495042
_cell_length_c 11.08990782
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 43d76eb3-e732-4daa-9703-49216e93e4b1 | mp-5214 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... | data_image0
_chemical_formula_structural Ti4Te12O32Ti4Te12O32
_chemical_formula_sum "Ti8 Te24 O64"
_cell_length_a 9.53573741
_cell_length_b 19.0712887
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_spa... |
SuperCellAction | 4c50a878-6fed-49d1-ad69-399c8c8d14fd | mp-18973 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20
_chemical_formula_sum "Co32 Se64 O160"
_cell_length_a 12.0650159
_cell_length_b 6.854543640000001
_cell_length_c 41.3075282
_cell_angle_alpha 90.00041396
_cell_angle_... |
SuperCellAction | 548be5cf-52b0-4421-b176-7fa439b6b375 | mp-1079383 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ce4In2Cu4Ce4In2Cu4
_chemical_formula_sum "Ce8 In4 Cu8"
_cell_length_a 8.380093
_cell_length_b 16.760186
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SuperCellAction | 1211c43e-c4c3-4e35-a8e7-685badd23a62 | mp-772024 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba12La4Br36Ba12La4Br36
_chemical_formula_sum "Ba24 La8 Br72"
_cell_length_a 7.538961
_cell_length_b 16.201768
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 79be9b7c-a828-42bb-9746-37c78c296b4e | mp-15514 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Na8Se16
_chemical_formula_sum "Na8 Se16"
_cell_length_a 9.43549015
_cell_length_b 9.43548998
_cell_length_c 9.43548941
_cell_angle_alpha 101.08664555
_cell_angle_beta 113.81929890999999
_cell_angle_gamma 113.81929052
_space_group_n... | data_image0
_chemical_formula_structural Na8Se16Na8Se16Na8Se16Na8Se16Na8Se16Na8Se16
_chemical_formula_sum "Na48 Se96"
_cell_length_a 28.30647045
_cell_length_b 9.43548998
_cell_length_c 18.87097882
_cell_angle_alpha 101.08664555
_cell_angle_beta 113.81929890999999
_cell_angle... |
SuperCellAction | 058e196f-80a8-462f-abef-248b1e5636b1 | mp-761166 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe2F6Li2Fe2F6Li2Fe2F6Li2Fe2F6Li2Fe2F6Li2Fe2F6Li2Fe2F6Li2Fe2F6
_chemical_formula_sum "Li16 Fe16 F48"
_cell_length_a 10.52901472
_cell_length_b 5.26450736
_cell_length_c 22.34650528
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53... |
SuperCellAction | f50ab77e-beb7-4755-8a17-755867573c0d | mp-1026435 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14TiMoMg14TiMoMg14TiMoMg14TiMoMg14TiMoMg14TiMoMg14TiMoMg14TiMo
_chemical_formula_sum "Mg112 Ti8 Mo8"
_cell_length_a 12.58813036
_cell_length_b 25.17625872
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 76c50d23-5eec-4058-ae2f-4d400cd7d094 | mp-1221912 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrGa3S8Mn2CrGa3S8Mn2CrGa3S8Mn2CrGa3S8
_chemical_formula_sum "Mn8 Cr4 Ga12 S32"
_cell_length_a 25.183254
_cell_length_b 12.591627
_cell_length_c 12.953190859999998
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angl... |
SuperCellAction | ff013f8a-afee-49a8-aaa8-90b4933324ee | mp-1229052 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... | data_image0
_chemical_formula_structural Al41V4Al41V4Al41V4Al41V4Al41V4Al41V4Al41V4Al41V4
_chemical_formula_sum "Al328 V32"
_cell_length_a 20.26682622
_cell_length_b 40.53361736000001
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
... |
SuperCellAction | b1212eb0-20fc-4a55-b7e7-dc1575c09329 | mp-1207687 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Zr8In12Zr8In12
_chemical_formula_sum "Zr16 In24"
_cell_length_a 13.735838
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | 6f5edff9-55c6-42b2-a943-ab8215c4707f | mp-1198393 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural La4I12O38
_chemical_formula_sum "La4 I12 O38"
_cell_length_a 11.25767
_cell_length_b 7.444486
_cell_length_c 12.97375816
_cell_angle_alpha 57.35239296000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4I12O38La4I12O38La4I12O38La4I12O38La4I12O38La4I12O38La4I12O38La4I12O38
_chemical_formula_sum "La32 I96 O304"
_cell_length_a 11.25767
_cell_length_b 29.777944
_cell_length_c 25.94751632
_cell_angle_alpha 57.35239296000001
_cell_angle_beta... |
SuperCellAction | 3e5fde9f-8c45-4b2d-8259-2ebe318d3271 | mp-1104062 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sr2Ga4Se8Sr2Ga4Se8Sr2Ga4Se8Sr2Ga4Se8
_chemical_formula_sum "Sr8 Ga16 Se32"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 44.11262712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999... |
SuperCellAction | 8fd34efe-89a8-494a-8d72-98153e2c0b87 | mp-1105449 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12Sm2Tl2P4Se12
_chemical_formula_sum "Sm4 Tl4 P8 Se24"
_cell_length_a 7.755927
_cell_length_b 13.823996
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
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