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 | 9478724f-f67e-47a5-b38a-33ace6ba3d0e | mp-554409 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Na14Fe8P12O48
_chemical_formula_sum "Na14 Fe8 P12 O48"
_cell_length_a 9.8960954
_cell_length_b 9.8960954
_cell_length_c 9.896095039999999
_cell_angle_alpha 86.67409009
_cell_angle_beta 86.67409009
_cell_angle_gamma 86.67408996
_spa... | data_image0
_chemical_formula_structural Na14Fe8P12O48Na14Fe8P12O48Na14Fe8P12O48Na14Fe8P12O48Na14Fe8P12O48Na14Fe8P12O48Na14Fe8P12O48Na14Fe8P12O48
_chemical_formula_sum "Na112 Fe64 P96 O384"
_cell_length_a 39.5843816
_cell_length_b 19.7921908
_cell_length_c 9.896095039999999
_cell_an... |
SuperCellAction | 68414bfb-173f-48c0-baba-ee2be4325abf | mp-756993 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14Li4Co2P4O14Li4Co2P4O14Li4Co2P4O14
_chemical_formula_sum "Li16 Co8 P16 O56"
_cell_length_a 5.03760902
_cell_length_b 15.37301002
_cell_length_c 15.371106080000002
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_ce... |
SuperCellAction | cf9ab220-d979-42c1-9f40-7c457bd19f23 | mp-1019520 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Ba6Ca4Si4N12
_chemical_formula_sum "Ba6 Ca4 Si4 N12"
_cell_length_a 6.13164704
_cell_length_b 6.13164704
_cell_length_c 13.44096987
_cell_angle_alpha 80.18250428
_cell_angle_beta 80.18250428
_cell_angle_gamma 68.29839738
_space_gro... | data_image0
_chemical_formula_structural Ba6Ca4Si4N12Ba6Ca4Si4N12Ba6Ca4Si4N12Ba6Ca4Si4N12
_chemical_formula_sum "Ba24 Ca16 Si16 N48"
_cell_length_a 6.13164704
_cell_length_b 12.26329408
_cell_length_c 26.88193974
_cell_angle_alpha 80.18250428
_cell_angle_beta 80.18250428
_cel... |
SuperCellAction | 9b64de48-9e20-42bc-ba3e-0987214422a4 | mp-1023076 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Rb2Mg12Mn2
_chemical_formula_sum "Rb2 Mg12 Mn2"
_cell_length_a 5.047298
_cell_length_b 6.619425
_cell_length_c 12.113575
_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 Rb2Mg12Mn2Rb2Mg12Mn2Rb2Mg12Mn2Rb2Mg12Mn2Rb2Mg12Mn2Rb2Mg12Mn2Rb2Mg12Mn2Rb2Mg12Mn2
_chemical_formula_sum "Rb16 Mg96 Mn16"
_cell_length_a 20.189192
_cell_length_b 13.23885
_cell_length_c 12.113575
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 96490f6f-92ec-4e8d-9d93-fb8013946cf4 | mp-35143 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6
_chemical_formula_sum "Ba12 Nb12 S36"
_cell_length_a 6.95265609
_cell_length_b 13.90531036
_cell_length_c 17.20748103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 11... |
SuperCellAction | 0f66eff9-23f6-4bd0-860d-230a7858c3ee | mp-1226671 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... | data_image0
_chemical_formula_structural Co4P6H22N4O18Co4P6H22N4O18Co4P6H22N4O18Co4P6H22N4O18Co4P6H22N4O18Co4P6H22N4O18
_chemical_formula_sum "Co24 P36 H132 N24 O108"
_cell_length_a 10.86473926
_cell_length_b 16.29710889
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle... |
SuperCellAction | 3c36d0bd-6e61-4a38-9e8e-4d75afd3ae96 | mp-1188153 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Ti10Ga6
_chemical_formula_sum "Ti10 Ga6"
_cell_length_a 4.976478
_cell_length_b 7.67882184
_cell_length_c 7.67882184
_cell_angle_alpha 83.97275885000002
_cell_angle_beta 71.09263475
_cell_angle_gamma 71.09263475
_space_group_name_H... | data_image0
_chemical_formula_structural Ti10Ga6Ti10Ga6Ti10Ga6Ti10Ga6Ti10Ga6Ti10Ga6
_chemical_formula_sum "Ti60 Ga36"
_cell_length_a 9.952956
_cell_length_b 7.67882184
_cell_length_c 23.03646552
_cell_angle_alpha 83.97275885000002
_cell_angle_beta 71.09263475
_cell_angle_gamm... |
SuperCellAction | 5f43c0c4-7e99-4762-861a-a58910ac6daa | mp-736701 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4I4O40P16Pt4I4O40P16Pt4I4O40P16Pt4I4O40P16Pt4I4O40P16Pt4I4O40
_chemical_formula_sum "P96 Pt24 I24 O240"
_cell_length_a 44.110754
_cell_length_b 33.144971999999996
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_a... |
SuperCellAction | ceaf5c8a-4c85-4680-80b4-5e4f4ff830f7 | mp-1569720 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si4Ni2O12Li4Si4Ni2O12Li4Si4Ni2O12Li4Si4Ni2O12
_chemical_formula_sum "Li16 Si16 Ni8 O48"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 20.51042816
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.7206657... |
SuperCellAction | c0d72f49-b053-48a8-aa3a-f2989fe00471 | mp-1028023 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural YMg14WYMg14WYMg14WYMg14W
_chemical_formula_sum "Y4 Mg56 W4"
_cell_length_a 6.39875587
_cell_length_b 12.79751068
_cell_length_c 20.34715558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_na... |
SuperCellAction | 868f4978-f07f-4537-9bf6-9d7e4efed091 | mp-1520242 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrSeO6BaNaPrSeO6BaNaPrSeO6BaNaPrSeO6
_chemical_formula_sum "Ba4 Na4 Pr4 Se4 O24"
_cell_length_a 11.78937366
_cell_length_b 11.78937366
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999... |
SuperCellAction | 5128e7f5-0ef5-4274-9b57-06a69afb167b | mp-1113343 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Rb2LaCuCl6
_chemical_formula_sum "Rb2 La1 Cu1 Cl6"
_cell_length_a 7.52618154
_cell_length_b 7.52618154
_cell_length_c 7.52618154
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2LaCuCl6Rb2LaCuCl6Rb2LaCuCl6Rb2LaCuCl6
_chemical_formula_sum "Rb8 La4 Cu4 Cl24"
_cell_length_a 7.52618154
_cell_length_b 30.10472616
_cell_length_c 7.52618154
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_ce... |
SuperCellAction | 6fc1c162-31df-4cb3-b3c2-ac573827a194 | mp-554183 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Zr2Hg6S4Cl12
_chemical_formula_sum "Zr2 Hg6 S4 Cl12"
_cell_length_a 7.544576
_cell_length_b 6.78409
_cell_length_c 13.284343279999998
_cell_angle_alpha 88.5274253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr2Hg6S4Cl12Zr2Hg6S4Cl12Zr2Hg6S4Cl12Zr2Hg6S4Cl12Zr2Hg6S4Cl12Zr2Hg6S4Cl12Zr2Hg6S4Cl12Zr2Hg6S4Cl12
_chemical_formula_sum "Zr16 Hg48 S32 Cl96"
_cell_length_a 30.178304
_cell_length_b 6.78409
_cell_length_c 26.568686559999996
_cell_angle_alpha ... |
SuperCellAction | 506fa40a-9b73-48dd-b02c-ab5f77a5d059 | mp-8762 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4Er8S8O4Er8S8O4Er8S8O4Er8S8O4Er8S8O4
_chemical_formula_sum "Er48 S48 O24"
_cell_length_a 6.79738802
_cell_length_b 13.57512146
_cell_length_c 24.550007129999997
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 072ce2a5-14f5-47d6-9ac1-a65312debbe0 | mp-28507 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S44La16Nb14S44La16Nb14S44La16Nb14S44
_chemical_formula_sum "La64 Nb56 S176"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 23.375298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.687... |
SuperCellAction | 9ecf35dd-0c3c-43d5-935b-638bdb48c132 | mp-975336 | Create a supercell with the size 2×1×3. | 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 K4C4S4N4K4C4S4N4K4C4S4N4K4C4S4N4K4C4S4N4K4C4S4N4
_chemical_formula_sum "K24 C24 S24 N24"
_cell_length_a 12.95961
_cell_length_b 6.515581
_cell_length_c 33.417048
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 955b1dec-dabc-483b-b3d6-2caf74e49472 | mp-1073136 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Mg4Si6
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Si6Mg4Si6Mg4Si6Mg4Si6Mg4Si6Mg4Si6Mg4Si6Mg4Si6
_chemical_formula_sum "Mg32 Si48"
_cell_length_a 18.11745348
_cell_length_b 9.05872674
_cell_length_c 23.535612
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gam... |
SuperCellAction | fbe3e3c9-e6a9-481f-be0e-85ffa1cd6978 | mp-734797 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Na12P16O48
_chemical_formula_sum "Na12 P16 O48"
_cell_length_a 10.093384
_cell_length_b 8.84461
_cell_length_c 14.5321717
_cell_angle_alpha 52.48451104000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12P16O48Na12P16O48Na12P16O48Na12P16O48
_chemical_formula_sum "Na48 P64 O192"
_cell_length_a 40.373536
_cell_length_b 8.84461
_cell_length_c 14.5321717
_cell_angle_alpha 52.48451104000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | 474b5e67-ede8-4a74-a9ef-530df52a241a | mp-1020592 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_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 Sr8Li4Si8N16O2Sr8Li4Si8N16O2Sr8Li4Si8N16O2Sr8Li4Si8N16O2Sr8Li4Si8N16O2Sr8Li4Si8N16O2
_chemical_formula_sum "Sr48 Li24 Si48 N96 O12"
_cell_length_a 28.122218999999998
_cell_length_b 9.374073
_cell_length_c 11.217576
_cell_angle_alpha 90.0
_... |
SuperCellAction | bde9bc05-aa41-4907-8cbf-f772b0c3ad42 | mp-754319 | Create a supercell with the size 4x1x2. | 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 Li3NbNi4O8Li3NbNi4O8Li3NbNi4O8Li3NbNi4O8Li3NbNi4O8Li3NbNi4O8Li3NbNi4O8Li3NbNi4O8
_chemical_formula_sum "Li24 Nb8 Ni32 O64"
_cell_length_a 23.873984
_cell_length_b 5.967901590000001
_cell_length_c 11.951548300000002
_cell_angle_alpha 88.892... |
SuperCellAction | 928391f1-2943-417e-8665-7d09bd7d1c2b | mp-1226356 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Dy20In40Rh19
_chemical_formula_sum "Dy20 In40 Rh19"
_cell_length_a 13.573736
_cell_length_b 13.573736
_cell_length_c 9.436804
_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 Dy20In40Rh19Dy20In40Rh19Dy20In40Rh19Dy20In40Rh19Dy20In40Rh19Dy20In40Rh19Dy20In40Rh19Dy20In40Rh19
_chemical_formula_sum "Dy160 In320 Rh152"
_cell_length_a 13.573736
_cell_length_b 54.294944
_cell_length_c 18.873608
_cell_angle_alpha 90.0
_c... |
SuperCellAction | 519163d3-d69a-4e0e-89bf-2bde69af2f15 | mp-1224332 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural InAs4Pd15
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... | data_image0
_chemical_formula_structural InAs4Pd15InAs4Pd15InAs4Pd15InAs4Pd15InAs4Pd15InAs4Pd15InAs4Pd15InAs4Pd15
_chemical_formula_sum "In8 As32 Pd120"
_cell_length_a 36.95418382
_cell_length_b 18.47709191
_cell_length_c 73.90836884
_cell_angle_alpha 13.853155029999996
_cell_ang... |
SuperCellAction | efdb61c3-4e06-4e9f-8e41-20b88f26c0e8 | mp-772223 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12Fe4B8O24Na12Fe4B8O24Na12Fe4B8O24Na12Fe4B8O24Na12Fe4B8O24Na12Fe4B8O24
_chemical_formula_sum "Na72 Fe24 B48 O144"
_cell_length_a 9.571733
_cell_length_b 11.103488
_cell_length_c 34.578037079999994
_cell_angle_alpha 65.20747392
_cell_angl... |
SuperCellAction | 0d29d455-13b5-4624-9369-cfc9fe362766 | mp-3887 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16Li24Ga8N16Li24Ga8N16Li24Ga8N16Li24Ga8N16Li24Ga8N16
_chemical_formula_sum "Li144 Ga48 N96"
_cell_length_a 24.86097228
_cell_length_b 16.57401012
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.4704... |
SuperCellAction | 15d7c862-1429-4bca-9f0d-0560201c0dd4 | mp-1221055 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31NaMg2Al6VSi6B3H3O31NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na3 Mg6 Al18 V3 Si18 B9 H9 O93"
_cell_length_a 9.6145201
_cell_length_b 28.8435603
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta ... |
SuperCellAction | ec0c7132-9b50-485d-a3f8-a1372c5e7eb6 | mp-753686 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098... | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4Li4V2Cr2P4O16F4
_chemical_formula_sum "Li8 V4 Cr4 P8 O32 F8"
_cell_length_a 10.74402132
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamm... |
SuperCellAction | 22712017-3e36-41b3-b990-77b8df804fc4 | mp-1516711 | Create a supercell with the size 2*1*4. | 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 16.93887314
_cell_length_b 8.46943657
_cell_length_c 33.87774628
_cell_angle_alpha ... |
SuperCellAction | ff5bbdf8-df24-4573-a757-187fd46ef0ce | mp-866741 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural LiNd9Mo16O35
_chemical_formula_sum "Li1 Nd9 Mo16 O35"
_cell_length_a 10.15639579
_cell_length_b 10.15639579
_cell_length_c 9.90256916
_cell_angle_alpha 79.14377329000001
_cell_angle_beta 79.14377329000001
_cell_angle_gamma 50.938229... | data_image0
_chemical_formula_structural LiNd9Mo16O35LiNd9Mo16O35LiNd9Mo16O35LiNd9Mo16O35
_chemical_formula_sum "Li4 Nd36 Mo64 O140"
_cell_length_a 10.15639579
_cell_length_b 40.62558316
_cell_length_c 9.90256916
_cell_angle_alpha 79.14377329000001
_cell_angle_beta 79.1437732... |
SuperCellAction | 7d40e95d-9b25-4826-8508-596360d5ca31 | mp-757167 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... | data_image0
_chemical_formula_structural Li12Si6Ni6O24Li12Si6Ni6O24Li12Si6Ni6O24Li12Si6Ni6O24Li12Si6Ni6O24Li12Si6Ni6O24
_chemical_formula_sum "Li72 Si36 Ni36 O144"
_cell_length_a 5.01778106
_cell_length_b 17.383528480000003
_cell_length_c 37.60242033
_cell_angle_alpha 110.2580574... |
SuperCellAction | c813a010-d044-4390-837c-bdbc79f8292c | mp-1190262 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2Zr10Sb6Ru2Zr10Sb6Ru2Zr10Sb6Ru2Zr10Sb6Ru2Zr10Sb6Ru2
_chemical_formula_sum "Zr60 Sb36 Ru12"
_cell_length_a 8.73189757
_cell_length_b 17.46379514
_cell_length_c 17.698851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 1d84f9d8-3118-432a-9f8a-89bf9b167af6 | mp-1110620 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6Na2TlCoF6Na2TlCoF6Na2TlCoF6Na2TlCoF6Na2TlCoF6
_chemical_formula_sum "Na12 Tl6 Co6 F36"
_cell_length_a 12.390902
_cell_length_b 18.586349759999997
_cell_length_c 6.19545011
_cell_angle_alpha 60.00000378
_cell_angle_beta 60.0000... |
SuperCellAction | ca8cfc22-069f-40b3-9271-9e7241f879bb | mp-1214585 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrCu3O6Ba2PrCu3O6Ba2PrCu3O6Ba2PrCu3O6
_chemical_formula_sum "Ba8 Pr4 Cu12 O24"
_cell_length_a 3.927893
_cell_length_b 15.711572
_cell_length_c 12.23912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | d4f86d7e-0976-44bc-b590-6bae474ff995 | mp-555776 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural K12Sc4Mo12O48
_chemical_formula_sum "K12 Sc4 Mo12 O48"
_cell_length_a 9.38062564
_cell_length_b 10.91916168
_cell_length_c 13.68100805
_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 K12Sc4Mo12O48K12Sc4Mo12O48K12Sc4Mo12O48K12Sc4Mo12O48K12Sc4Mo12O48K12Sc4Mo12O48K12Sc4Mo12O48K12Sc4Mo12O48
_chemical_formula_sum "K96 Sc32 Mo96 O384"
_cell_length_a 18.76125128
_cell_length_b 21.83832336
_cell_length_c 27.3620161
_cell_angle_al... |
SuperCellAction | 28d305e1-38f4-4979-a5eb-76ee36203533 | mp-1229067 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... | data_image0
_chemical_formula_structural Ba10Y5Cu15O32Ba10Y5Cu15O32Ba10Y5Cu15O32Ba10Y5Cu15O32Ba10Y5Cu15O32Ba10Y5Cu15O32
_chemical_formula_sum "Ba60 Y30 Cu90 O192"
_cell_length_a 5.517439
_cell_length_b 39.75775533
_cell_length_c 28.035630760000004
_cell_angle_alpha 114.0774467599... |
SuperCellAction | 67768d8e-c7cb-4872-a471-745e97b6055d | mp-1020027 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li16P8O28Li16P8O28Li16P8O28Li16P8O28Li16P8O28Li16P8O28
_chemical_formula_sum "Li96 P48 O168"
_cell_length_a 10.601006
_cell_length_b 8.596584
_cell_length_c 41.85845733
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 5bf5a213-b35f-425e-b0f2-cac0bc68329f | mp-1179899 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Pt4N8Cl8O8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_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 Pt4N8Cl8O8Pt4N8Cl8O8
_chemical_formula_sum "Pt8 N16 Cl16 O16"
_cell_length_a 15.057108
_cell_length_b 7.528554
_cell_length_c 16.85768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 3e015989-6fe3-4b48-bd7d-8e93ce9535bf | mp-630927 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6Pb4SeBr6Pb4SeBr6
_chemical_formula_sum "Pb12 Se3 Br18"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 30.514066590000002
_cell_angle_alpha 59.329960630000016
_cell_angle_beta 59.329960630000016
_cell_angle_g... |
SuperCellAction | 663b877f-3713-4726-a180-8fe28cd22a6c | mp-984755 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O22Nb8Ag4O22Nb8Ag4O22Nb8Ag4O22
_chemical_formula_sum "Nb32 Ag16 O88"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 52.97234468
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_... |
SuperCellAction | d0daeb88-8764-4c41-8575-1203451aae1e | mp-560404 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... | data_image0
_chemical_formula_structural In4H4Se4O16In4H4Se4O16In4H4Se4O16
_chemical_formula_sum "In12 H12 Se12 O48"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 24.90706221
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83... |
SuperCellAction | 34b625ed-ed65-4870-a024-55e601b8ae82 | mp-766179 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Li4Si12Bi4O32
_chemical_formula_sum "Li4 Si12 Bi4 O32"
_cell_length_a 7.74983439
_cell_length_b 7.749834389999999
_cell_length_c 12.95761985
_cell_angle_alpha 83.61454607
_cell_angle_beta 83.61454607
_cell_angle_gamma 113.0654753599... | data_image0
_chemical_formula_structural Li4Si12Bi4O32Li4Si12Bi4O32Li4Si12Bi4O32Li4Si12Bi4O32Li4Si12Bi4O32Li4Si12Bi4O32Li4Si12Bi4O32Li4Si12Bi4O32
_chemical_formula_sum "Li32 Si96 Bi32 O256"
_cell_length_a 15.49966878
_cell_length_b 7.749834389999999
_cell_length_c 51.8304794
_cell_a... |
SuperCellAction | c163d5d3-7df4-4bd4-a6a0-68eaa1d5052d | mp-676665 | Create a supercell with the size 4×1×1. | 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 Ba8Ta4Ti2Zn2O24Ba8Ta4Ti2Zn2O24Ba8Ta4Ti2Zn2O24Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba32 Ta16 Ti8 Zn8 O96"
_cell_length_a 40.41368984
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_b... |
SuperCellAction | 4d9df661-2b09-4234-968a-146975373ce9 | mp-1197785 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural H24C4S8N8
_chemical_formula_sum "H24 C4 S8 N8"
_cell_length_a 8.74992576
_cell_length_b 8.74992576
_cell_length_c 9.477412150000001
_cell_angle_alpha 57.72534230000001
_cell_angle_beta 57.72534230000001
_cell_angle_gamma 64.8671258
... | data_image0
_chemical_formula_structural H24C4S8N8H24C4S8N8H24C4S8N8H24C4S8N8
_chemical_formula_sum "H96 C16 S32 N32"
_cell_length_a 17.49985152
_cell_length_b 8.74992576
_cell_length_c 18.954824300000002
_cell_angle_alpha 57.72534230000001
_cell_angle_beta 57.72534230000001
... |
SuperCellAction | 53dfe83e-c77d-486a-95af-479f93bbd4be | mp-558208 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural Rb4In4As8O28Rb4In4As8O28
_chemical_formula_sum "Rb8 In8 As16 O56"
_cell_length_a 15.99723
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060... |
SuperCellAction | 771e29a0-1862-434a-8e3a-f0af647ac93c | mp-1095479 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Gd4S8
_chemical_formula_sum "Gd4 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Gd4S8Gd4S8
_chemical_formula_sum "Gd8 S16"
_cell_length_a 3.95110384
_cell_length_b 15.82441052
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | bfc662e0-457b-4800-beee-d8ba02823b7c | mp-1048547 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Zn2Ni4O8
_chemical_formula_sum "Zn2 Ni4 O8"
_cell_length_a 5.62862077
_cell_length_b 5.88821498
_cell_length_c 5.62875115
_cell_angle_alpha 61.43564079000001
_cell_angle_beta 90.00562176
_cell_angle_gamma 118.56359498
_space_group_... | data_image0
_chemical_formula_structural Zn2Ni4O8Zn2Ni4O8Zn2Ni4O8Zn2Ni4O8
_chemical_formula_sum "Zn8 Ni16 O32"
_cell_length_a 5.62862077
_cell_length_b 5.88821498
_cell_length_c 22.5150046
_cell_angle_alpha 61.43564079000001
_cell_angle_beta 90.00562176
_cell_angle_gamma 1... |
SuperCellAction | eaa7f78a-e8af-416d-90e0-e41e41d067a2 | mp-753610 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8
_chemical_formula_sum "Ba16 Ca16 I64"
_cell_length_a 22.91369234
_cell_length_b 22.91369234
_cell_length_c 16.601574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 7c27eb56-8fd2-4a5a-84a4-d27c8fd3661a | mp-570363 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Li8Si8
_chemical_formula_sum "Li8 Si8"
_cell_length_a 8.12714356
_cell_length_b 8.12714356
_cell_length_c 8.12714356
_cell_angle_alpha 102.42516628
_cell_angle_beta 102.42516628
_cell_angle_gamma 124.72731542
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Si8Li8Si8Li8Si8Li8Si8Li8Si8Li8Si8Li8Si8Li8Si8
_chemical_formula_sum "Li64 Si64"
_cell_length_a 8.12714356
_cell_length_b 32.50857424
_cell_length_c 16.25428712
_cell_angle_alpha 102.42516628
_cell_angle_beta 102.42516628
_cell_angle... |
SuperCellAction | 68bab36d-a13a-4828-a6f3-85a018548c18 | mp-1179444 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Re4C4S4N8Cl12O8
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_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 Re4C4S4N8Cl12O8Re4C4S4N8Cl12O8Re4C4S4N8Cl12O8Re4C4S4N8Cl12O8
_chemical_formula_sum "Re16 C16 S16 N32 Cl48 O32"
_cell_length_a 7.984612
_cell_length_b 23.202568
_cell_length_c 26.087566
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 2985322a-d35b-4fac-aeb6-4a4bee4d92e9 | mp-757139 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... | data_image0
_chemical_formula_structural Li6TiMn3P6O24Li6TiMn3P6O24Li6TiMn3P6O24Li6TiMn3P6O24Li6TiMn3P6O24Li6TiMn3P6O24Li6TiMn3P6O24Li6TiMn3P6O24
_chemical_formula_sum "Li48 Ti8 Mn24 P48 O192"
_cell_length_a 17.240074
_cell_length_b 17.31320186
_cell_length_c 17.53263962
_cell_angle... |
SuperCellAction | 1ac82710-99b8-40e9-8657-a6e3d03e88ea | mp-1176707 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Li6Fe6F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_group_... | data_image0
_chemical_formula_structural Li6Fe6F18Li6Fe6F18Li6Fe6F18Li6Fe6F18Li6Fe6F18Li6Fe6F18Li6Fe6F18Li6Fe6F18
_chemical_formula_sum "Li48 Fe48 F144"
_cell_length_a 7.021042
_cell_length_b 28.946362959999995
_cell_length_c 15.74990948
_cell_angle_alpha 94.44735984
_cell_angle_... |
SuperCellAction | 59980ec9-2147-49f4-93d9-588135df1564 | mp-1209411 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Pr8Si12Pd4
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr8Si12Pd4Pr8Si12Pd4Pr8Si12Pd4Pr8Si12Pd4Pr8Si12Pd4Pr8Si12Pd4Pr8Si12Pd4Pr8Si12Pd4
_chemical_formula_sum "Pr64 Si96 Pd32"
_cell_length_a 33.15558572
_cell_length_b 8.28889643
_cell_length_c 17.2127
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | e621902f-f089-4d32-a1f1-d0ef0f6f9f4b | mp-680506 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Pt8Cl32
_chemical_formula_sum "Pt8 Cl32"
_cell_length_a 11.484831
_cell_length_b 11.484831
_cell_length_c 11.484831
_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 Pt8Cl32Pt8Cl32
_chemical_formula_sum "Pt16 Cl64"
_cell_length_a 11.484831
_cell_length_b 22.969662
_cell_length_c 11.484831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
SuperCellAction | 9e98b530-7710-4ffd-9f69-4b52d153e84c | mp-5169 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Cu8P4O18
_chemical_formula_sum "Cu8 P4 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_name_H... | data_image0
_chemical_formula_structural Cu8P4O18Cu8P4O18
_chemical_formula_sum "Cu16 P8 O36"
_cell_length_a 6.26249263
_cell_length_b 15.06746456
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_gr... |
SuperCellAction | e8a590e1-efd3-42f8-87ee-1e034dfdd857 | mp-6632 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Ca5B3O9F
_chemical_formula_sum "Ca5 B3 O9 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
_spac... | data_image0
_chemical_formula_structural Ca5B3O9FCa5B3O9FCa5B3O9FCa5B3O9F
_chemical_formula_sum "Ca20 B12 O36 F4"
_cell_length_a 18.01412346
_cell_length_b 9.00706173
_cell_length_c 7.07258928
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_... |
SuperCellAction | 3a4279a2-8b0d-46fe-aff2-b1182c4848ea | mp-1356129 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Fe16O24
_chemical_formula_sum "Fe16 O24"
_cell_length_a 8.23347377
_cell_length_b 8.23347377
_cell_length_c 9.492212840000002
_cell_angle_alpha 54.80432635
_cell_angle_beta 54.80432635
_cell_angle_gamma 70.17763754
_space_group_nam... | data_image0
_chemical_formula_structural Fe16O24Fe16O24Fe16O24Fe16O24Fe16O24Fe16O24Fe16O24Fe16O24
_chemical_formula_sum "Fe128 O192"
_cell_length_a 32.93389508
_cell_length_b 16.46694754
_cell_length_c 9.492212840000002
_cell_angle_alpha 54.80432635
_cell_angle_beta 54.804326... |
SuperCellAction | 2141da75-6c3e-42d9-8a43-bbf6873c255b | mp-1234180 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.78146478
_cell_length_b 7.69389385
_cell_length_c 9.90764584
_cell_angle_alpha 112.42220027
_cell_angle_beta 98.9634139
_cell_angle_gamma 94.8287487
_... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16Sr2MgZn2Sn2P4O16Sr2MgZn2Sn2P4O16Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr8 Mg4 Zn8 Sn8 P16 O64"
_cell_length_a 11.56292956
_cell_length_b 7.69389385
_cell_length_c 19.81529168
_cell_angle_alpha 112.42220027
_cell_angle_bet... |
SuperCellAction | 3adfb4d3-eca3-49f6-a4f2-73fe78abd4e5 | mp-2219373 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural MgFe2Co2O8
_chemical_formula_sum "Mg1 Fe2 Co2 O8"
_cell_length_a 5.36442764
_cell_length_b 5.770939509999999
_cell_length_c 4.87736258
_cell_angle_alpha 96.21295982
_cell_angle_beta 85.29789048
_cell_angle_gamma 104.97687678
_space... | data_image0
_chemical_formula_structural MgFe2Co2O8MgFe2Co2O8MgFe2Co2O8MgFe2Co2O8MgFe2Co2O8MgFe2Co2O8
_chemical_formula_sum "Mg6 Fe12 Co12 O48"
_cell_length_a 10.72885528
_cell_length_b 5.770939509999999
_cell_length_c 14.63208774
_cell_angle_alpha 96.21295982
_cell_angle_beta ... |
SuperCellAction | f4edc5ca-4d04-4859-a95a-7805190ccc9e | mp-849387 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu6OF11Cu6OF11Cu6OF11Cu6OF11
_chemical_formula_sum "Cu24 O4 F44"
_cell_length_a 3.19079291
_cell_length_b 54.8109994
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma ... |
SuperCellAction | 2aa24a27-9fb3-49d6-b062-77e7cc0b10d8 | mp-773514 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Li8Co4O12
_chemical_formula_sum "Li8 Co4 O12"
_cell_length_a 3.290481
_cell_length_b 8.204106
_cell_length_c 9.696948
_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 Li8Co4O12Li8Co4O12Li8Co4O12Li8Co4O12Li8Co4O12Li8Co4O12
_chemical_formula_sum "Li48 Co24 O72"
_cell_length_a 3.290481
_cell_length_b 16.408212
_cell_length_c 29.090844000000004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 98c7193e-27b1-43c0-bfd1-cbd280b8b8ee | mp-735027 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 V4S8N4O36V4S8N4O36V4S8N4O36V4S8N4O36V4S8N4O36V4S8N4O36V4S8N4O36V4S8N4O36
_chemical_formula_sum "V32 S64 N32 O288"
_cell_length_a 20.214256
_cell_length_b 18.315606
_cell_length_c 17.42972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | e20e323c-edbb-44ec-951d-293ae006867c | mp-18753 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... | data_image0
_chemical_formula_structural Na3MoO3F3Na3MoO3F3Na3MoO3F3Na3MoO3F3Na3MoO3F3Na3MoO3F3
_chemical_formula_sum "Na18 Mo6 O18 F18"
_cell_length_a 5.80614613
_cell_length_b 17.41843785
_cell_length_c 11.61229212
_cell_angle_alpha 57.292518269999995
_cell_angle_beta 57.29... |
SuperCellAction | f246929f-ff0a-4b7b-8931-ab164a751fe6 | mp-2231666 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... | data_image0
_chemical_formula_structural MgTiMnV4O12MgTiMnV4O12MgTiMnV4O12MgTiMnV4O12MgTiMnV4O12MgTiMnV4O12MgTiMnV4O12MgTiMnV4O12
_chemical_formula_sum "Mg8 Ti8 Mn8 V32 O96"
_cell_length_a 28.81506036
_cell_length_b 14.40735766
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523... |
SuperCellAction | 1537dc70-5e24-4e34-968b-5c52b1df9dae | mp-1191291 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg4S2Br8N4O6Hg4S2Br8N4O6Hg4S2Br8N4O6Hg4S2Br8N4O6Hg4S2Br8N4O6Hg4S2Br8N4O6Hg4S2Br8N4O6Hg4S2Br8N4O6
_chemical_formula_sum "Hg32 S16 Br64 N32 O48"
_cell_length_a 29.156684
_cell_length_b 10.390601
_cell_length_c 22.6214731
_cell_angle_alpha 83... |
SuperCellAction | 595ccb74-ccbb-4c82-a6da-8fa59ebc1f37 | mp-1022967 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Y2Mg12Fe2
_chemical_formula_sum "Y2 Mg12 Fe2"
_cell_length_a 5.012848
_cell_length_b 5.929416
_cell_length_c 11.597164
_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 Y2Mg12Fe2Y2Mg12Fe2Y2Mg12Fe2Y2Mg12Fe2Y2Mg12Fe2Y2Mg12Fe2Y2Mg12Fe2Y2Mg12Fe2
_chemical_formula_sum "Y16 Mg96 Fe16"
_cell_length_a 5.012848
_cell_length_b 23.717664
_cell_length_c 23.194328
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 144df171-da56-488e-9bc0-529f2a4a4312 | mp-758700 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Li6Mn12O24
_chemical_formula_sum "Li6 Mn12 O24"
_cell_length_a 6.634875
_cell_length_b 6.647734319999999
_cell_length_c 11.002615149999999
_cell_angle_alpha 94.0771806
_cell_angle_beta 105.88685995
_cell_angle_gamma 98.5352459800000... | data_image0
_chemical_formula_structural Li6Mn12O24Li6Mn12O24
_chemical_formula_sum "Li12 Mn24 O48"
_cell_length_a 13.26975
_cell_length_b 6.647734319999999
_cell_length_c 11.002615149999999
_cell_angle_alpha 94.0771806
_cell_angle_beta 105.88685995
_cell_angle_gamma 98.53... |
SuperCellAction | 4469945c-b764-4b9d-8b84-9aa0bee952c1 | mp-1573889 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.12197187999999
... | data_image0
_chemical_formula_structural Na8Fe4O12Na8Fe4O12
_chemical_formula_sum "Na16 Fe8 O24"
_cell_length_a 10.78237028
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.12197... |
SuperCellAction | d2d20173-dcd9-48b5-b6cc-0401a647c391 | mp-540538 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Ga12Fe9
_chemical_formula_sum "Ga12 Fe9"
_cell_length_a 6.32560105
_cell_length_b 6.32560105
_cell_length_c 7.84111013
_cell_angle_alpha 77.2366533
_cell_angle_beta 77.2366533
_cell_angle_gamma 74.59180508
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ga12Fe9Ga12Fe9Ga12Fe9Ga12Fe9Ga12Fe9Ga12Fe9Ga12Fe9Ga12Fe9
_chemical_formula_sum "Ga96 Fe72"
_cell_length_a 6.32560105
_cell_length_b 12.6512021
_cell_length_c 31.36444052
_cell_angle_alpha 77.2366533
_cell_angle_beta 77.2366533
_cell_an... |
SuperCellAction | 0dc77f43-3de8-4f3a-8bf8-c1994d7997d2 | mp-1228452 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18Ba3Ti3Fe3Bi2O18Ba3Ti3Fe3Bi2O18Ba3Ti3Fe3Bi2O18Ba3Ti3Fe3Bi2O18Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba18 Ti18 Fe18 Bi12 O108"
_cell_length_a 11.27433206
_cell_length_b 16.911498090000002
_cell_length_c 13.886766
_cell_angle_alph... |
SuperCellAction | 0e5c9128-7ddb-4103-acef-46581d0e113d | mp-1199527 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Pb4C4N4O24
_chemical_formula_sum "Pb4 C4 N4 O24"
_cell_length_a 8.083615
_cell_length_b 6.208673
_cell_length_c 10.264594690000001
_cell_angle_alpha 75.50864962
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb4C4N4O24Pb4C4N4O24Pb4C4N4O24
_chemical_formula_sum "Pb12 C12 N12 O72"
_cell_length_a 24.250844999999998
_cell_length_b 6.208673
_cell_length_c 10.264594690000001
_cell_angle_alpha 75.50864962
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 1e81ac65-e1cb-494a-b6c8-cc52c555689e | mp-1245440 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Zr8Ga4N12
_chemical_formula_sum "Zr8 Ga4 N12"
_cell_length_a 6.17836567
_cell_length_b 10.67217817
_cell_length_c 10.34272488
_cell_angle_alpha 89.99999736
_cell_angle_beta 96.26513422
_cell_angle_gamma 149.73154969
_space_group_na... | data_image0
_chemical_formula_structural Zr8Ga4N12Zr8Ga4N12Zr8Ga4N12Zr8Ga4N12
_chemical_formula_sum "Zr32 Ga16 N48"
_cell_length_a 12.35673134
_cell_length_b 21.34435634
_cell_length_c 10.34272488
_cell_angle_alpha 89.99999736
_cell_angle_beta 96.26513422
_cell_angle_gamma ... |
SuperCellAction | 07396991-f7cb-4b96-964c-763c8d281846 | mp-30366 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Ca12Au4
_chemical_formula_sum "Ca12 Au4"
_cell_length_a 6.80979443
_cell_length_b 7.78140711
_cell_length_c 9.97863126
_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 Ca12Au4Ca12Au4Ca12Au4Ca12Au4Ca12Au4Ca12Au4
_chemical_formula_sum "Ca72 Au24"
_cell_length_a 20.42938329
_cell_length_b 15.56281422
_cell_length_c 9.97863126
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | e12ec5fd-589b-401e-9ea1-dfa3ee395947 | mp-1246526 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... | data_image0
_chemical_formula_structural Sr6Ru4N8Sr6Ru4N8Sr6Ru4N8Sr6Ru4N8Sr6Ru4N8Sr6Ru4N8Sr6Ru4N8Sr6Ru4N8
_chemical_formula_sum "Sr48 Ru32 N64"
_cell_length_a 7.27355484
_cell_length_b 35.9751878
_cell_length_c 11.29721356
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.337... |
SuperCellAction | 6bd47c81-9145-4d1a-9855-3ba818c0ee5b | mp-740718 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24
_chemical_formula_sum "Al32 H192 N64 Cl96"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 73.307212
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | f2a3fd32-7ea0-4d57-91ed-76c174fff45c | mp-1198663 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 K8Li4H24N12K8Li4H24N12
_chemical_formula_sum "K16 Li8 H48 N24"
_cell_length_a 7.004138
_cell_length_b 14.008276
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 8f40c7a7-91a5-45c2-b599-c5baf815e4f8 | mp-554739 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural C12I4Cl4O8F24C12I4Cl4O8F24C12I4Cl4O8F24C12I4Cl4O8F24C12I4Cl4O8F24C12I4Cl4O8F24C12I4Cl4O8F24C12I4Cl4O8F24
_chemical_formula_sum "C96 I32 Cl32 O64 F192"
_cell_length_a 8.01462
_cell_length_b 41.060792
_cell_length_c 22.64785396
_cell_angle_alph... |
SuperCellAction | 8ba0f7cb-543a-4bb5-9fb9-98ff90a36807 | mp-1112428 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6K2EuAuCl6K2EuAuCl6K2EuAuCl6K2EuAuCl6K2EuAuCl6K2EuAuCl6K2EuAuCl6
_chemical_formula_sum "K16 Eu8 Au8 Cl48"
_cell_length_a 15.263062
_cell_length_b 30.526126
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cel... |
SuperCellAction | 9d80a636-135c-48d7-8dd8-993351b4af69 | mp-571242 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 Rb8Co4Cl16Rb8Co4Cl16Rb8Co4Cl16Rb8Co4Cl16Rb8Co4Cl16Rb8Co4Cl16Rb8Co4Cl16Rb8Co4Cl16
_chemical_formula_sum "Rb64 Co32 Cl128"
_cell_length_a 14.77417
_cell_length_b 9.38057
_cell_length_c 51.7317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | 8fb609b5-f71d-44a7-8cb3-679941c45bcb | mp-1245133 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... | data_image0
_chemical_formula_structural Sn40O40Sn40O40Sn40O40Sn40O40Sn40O40Sn40O40Sn40O40Sn40O40
_chemical_formula_sum "Sn320 O320"
_cell_length_a 46.98549532
_cell_length_b 25.677707699999996
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 9... |
SuperCellAction | 0c02f197-8909-4ac0-9e71-a4ba440b1a44 | mp-627575 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural K4Zr6CBr18
_chemical_formula_sum "K4 Zr6 C1 Br18"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_space_g... | data_image0
_chemical_formula_structural K4Zr6CBr18K4Zr6CBr18K4Zr6CBr18
_chemical_formula_sum "K12 Zr18 C3 Br54"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 31.53597927
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma ... |
SuperCellAction | 4a74508a-ebef-4f42-ae93-9007e72f6d5c | mp-695373 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Na4Al11Si13Ag7O48
_chemical_formula_sum "Na4 Al11 Si13 Ag7 O48"
_cell_length_a 12.086726
_cell_length_b 12.455229320000003
_cell_length_c 12.79279253
_cell_angle_alpha 90.17142058
_cell_angle_beta 91.25661537
_cell_angle_gamma 90.04... | data_image0
_chemical_formula_structural Na4Al11Si13Ag7O48Na4Al11Si13Ag7O48Na4Al11Si13Ag7O48Na4Al11Si13Ag7O48Na4Al11Si13Ag7O48Na4Al11Si13Ag7O48Na4Al11Si13Ag7O48Na4Al11Si13Ag7O48
_chemical_formula_sum "Na32 Al88 Si104 Ag56 O384"
_cell_length_a 48.346904
_cell_length_b 24.910458640000005
_c... |
SuperCellAction | 915bbd41-75f4-47d8-aaa2-22ccad4ac018 | mp-1210947 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O16Lu2Ag2W4O16Lu2Ag2W4O16Lu2Ag2W4O16Lu2Ag2W4O16Lu2Ag2W4O16
_chemical_formula_sum "Lu12 Ag12 W24 O96"
_cell_length_a 21.90820218
_cell_length_b 14.605468119999998
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_be... |
SuperCellAction | f519791c-6cf3-48c1-bc85-4e0e815f1c32 | mp-613620 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rh16O24Rh16O24Rh16O24Rh16O24Rh16O24Rh16O24
_chemical_formula_sum "Rh96 O144"
_cell_length_a 5.16383549
_cell_length_b 16.3555806
_cell_length_c 29.51640044
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma ... |
SuperCellAction | 567629fc-5143-46de-8366-0f53b33d745a | mp-22575 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sc12As8Sc12As8Sc12As8
_chemical_formula_sum "Sc36 As24"
_cell_length_a 3.83119668
_cell_length_b 31.309077870000003
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 30726734-380a-4b99-8866-50957218ea2f | mp-1216434 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Zr8Ti2Pb10O30
_chemical_formula_sum "Zr8 Ti2 Pb10 O30"
_cell_length_a 5.88360107
_cell_length_b 5.95084711
_cell_length_c 24.281719929999998
_cell_angle_alpha 96.61879256
_cell_angle_beta 89.98413505000002
_cell_angle_gamma 119.6220... | data_image0
_chemical_formula_structural Zr8Ti2Pb10O30Zr8Ti2Pb10O30Zr8Ti2Pb10O30Zr8Ti2Pb10O30
_chemical_formula_sum "Zr32 Ti8 Pb40 O120"
_cell_length_a 5.88360107
_cell_length_b 23.80338844
_cell_length_c 24.281719929999998
_cell_angle_alpha 96.61879256
_cell_angle_beta 89.98... |
SuperCellAction | c8ad9f42-115a-4777-816e-e3f664b11cd1 | mp-554749 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P18Ir6O54P18Ir6O54P18Ir6O54P18Ir6O54P18Ir6O54P18Ir6O54P18Ir6O54P18Ir6O54
_chemical_formula_sum "P144 Ir48 O432"
_cell_length_a 18.66527952
_cell_length_b 42.05985416
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta... |
SuperCellAction | 19521a36-2cca-4ea2-8cdc-32d2327c4cfa | mp-542019 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Np10Ge6
_chemical_formula_sum "Np10 Ge6"
_cell_length_a 8.14251062
_cell_length_b 8.14251062
_cell_length_c 8.14251062
_cell_angle_alpha 95.58295889
_cell_angle_beta 95.58295889
_cell_angle_gamma 143.65143751
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Np10Ge6Np10Ge6Np10Ge6Np10Ge6Np10Ge6Np10Ge6
_chemical_formula_sum "Np60 Ge36"
_cell_length_a 16.28502124
_cell_length_b 8.14251062
_cell_length_c 24.42753186
_cell_angle_alpha 95.58295889
_cell_angle_beta 95.58295889
_cell_angle_gamma ... |
SuperCellAction | fda24a11-4865-4c37-93b7-ce850fd6b9dd | mp-1209789 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Sm4Rh6Pb19
_chemical_formula_sum "Sm4 Rh6 Pb19"
_cell_length_a 10.2691543
_cell_length_b 10.2691543
_cell_length_c 10.2691543
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Sm4Rh6Pb19Sm4Rh6Pb19Sm4Rh6Pb19Sm4Rh6Pb19Sm4Rh6Pb19Sm4Rh6Pb19
_chemical_formula_sum "Sm24 Rh36 Pb114"
_cell_length_a 20.5383086
_cell_length_b 10.2691543
_cell_length_c 30.807462899999997
_cell_angle_alpha 109.47122063
_cell_angle_beta ... |
SuperCellAction | cf3d0cb5-c964-4c65-a952-8d9eb41290f7 | mp-625159 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural H12Cl4O20
_chemical_formula_sum "H12 Cl4 O20"
_cell_length_a 5.597968
_cell_length_b 7.262629
_cell_length_c 9.024575
_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 H12Cl4O20H12Cl4O20H12Cl4O20H12Cl4O20H12Cl4O20H12Cl4O20H12Cl4O20H12Cl4O20
_chemical_formula_sum "H96 Cl32 O160"
_cell_length_a 22.391872
_cell_length_b 7.262629
_cell_length_c 18.04915
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 57e6b787-37f4-4e78-90f6-50d26a3ce316 | mp-1523324 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Sr2MnSnO6
_chemical_formula_sum "Sr2 Mn1 Sn1 O6"
_cell_length_a 5.63969519
_cell_length_b 5.63969519
_cell_length_c 5.639695189999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Sr2MnSnO6Sr2MnSnO6Sr2MnSnO6Sr2MnSnO6Sr2MnSnO6Sr2MnSnO6Sr2MnSnO6Sr2MnSnO6
_chemical_formula_sum "Sr16 Mn8 Sn8 O48"
_cell_length_a 11.27939038
_cell_length_b 5.63969519
_cell_length_c 22.558780759999998
_cell_angle_alpha 59.999999999999986
_... |
SuperCellAction | 5ed85a47-4a40-4115-8c3a-ef35077e9631 | mp-560156 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_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 Sr4Tl4V4O16Sr4Tl4V4O16Sr4Tl4V4O16Sr4Tl4V4O16Sr4Tl4V4O16Sr4Tl4V4O16
_chemical_formula_sum "Sr24 Tl24 V24 O96"
_cell_length_a 17.865549
_cell_length_b 7.66787
_cell_length_c 20.378706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | cfe8f058-7232-4f5e-903e-ffa7ef9eb6b2 | mp-33255 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Ni15O16
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_space_gr... | data_image0
_chemical_formula_structural Ni15O16Ni15O16Ni15O16Ni15O16Ni15O16Ni15O16Ni15O16Ni15O16
_chemical_formula_sum "Ni120 O128"
_cell_length_a 21.38830718
_cell_length_b 42.77661436
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.0480195499999... |
SuperCellAction | 20b1b41f-4655-4d9e-9ca8-8cd4e8cfeefc | mp-752419 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr4Ca4I16Sr4Ca4I16Sr4Ca4I16Sr4Ca4I16
_chemical_formula_sum "Sr16 Ca16 I64"
_cell_length_a 10.902408
_cell_length_b 39.327312
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | 58e1b811-b5c4-45bc-9fd5-feb97a38e8f5 | mp-570506 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Zr4I8
_chemical_formula_sum "Zr4 I8"
_cell_length_a 3.77437288
_cell_length_b 6.91824678
_cell_length_c 15.61077985
_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 Zr4I8Zr4I8Zr4I8Zr4I8
_chemical_formula_sum "Zr16 I32"
_cell_length_a 3.77437288
_cell_length_b 13.83649356
_cell_length_c 31.2215597
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SuperCellAction | ad25c1d0-7530-4259-971f-b9261c740f88 | mp-780431 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_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 Li8Fe8P8H16O40Li8Fe8P8H16O40Li8Fe8P8H16O40Li8Fe8P8H16O40Li8Fe8P8H16O40Li8Fe8P8H16O40Li8Fe8P8H16O40Li8Fe8P8H16O40
_chemical_formula_sum "Li64 Fe64 P64 H128 O320"
_cell_length_a 20.627516
_cell_length_b 10.022673
_cell_length_c 33.98646
_cell_a... |
SuperCellAction | 5c208085-0457-4b10-94f1-d37c7d9ac8e1 | mp-1225649 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Er4Al4Fe4Er4Al4Fe4Er4Al4Fe4Er4Al4Fe4
_chemical_formula_sum "Er16 Al16 Fe16"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 34.86480492
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.3267175399... |
SuperCellAction | 8e613a1d-643f-4aa5-81db-75735176c557 | mp-1306670 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Li6Ti2Ni6O16
_chemical_formula_sum "Li6 Ti2 Ni6 O16"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.96438166... | data_image0
_chemical_formula_structural Li6Ti2Ni6O16Li6Ti2Ni6O16Li6Ti2Ni6O16
_chemical_formula_sum "Li18 Ti6 Ni18 O48"
_cell_length_a 5.8156342
_cell_length_b 17.611803
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_... |
SuperCellAction | 97a78066-7700-4e2c-80ab-e099c662241c | mp-1027965 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14GaYMg14GaYMg14GaYMg14Ga
_chemical_formula_sum "Y4 Mg56 Ga4"
_cell_length_a 12.9566342
_cell_length_b 6.2636730499999995
_cell_length_c 20.75618688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_sp... |
SuperCellAction | 224584dc-dad7-4539-8459-9a4669a69e35 | mp-29778 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd8Ge14Nd8Ge14Nd8Ge14Nd8Ge14
_chemical_formula_sum "Nd32 Ge56"
_cell_length_a 12.06280078
_cell_length_b 15.20639618
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_spac... |
SuperCellAction | d1e43bd0-801b-4501-ab3b-e4128aa3f62f | mp-762220 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_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 Li8Cu8P8O32Li8Cu8P8O32Li8Cu8P8O32Li8Cu8P8O32Li8Cu8P8O32Li8Cu8P8O32Li8Cu8P8O32Li8Cu8P8O32
_chemical_formula_sum "Li64 Cu64 P64 O256"
_cell_length_a 10.942554
_cell_length_b 30.359788
_cell_length_c 15.418015
_cell_angle_alpha 90.0
_cell_ang... |
SuperCellAction | 110f0c75-b9ac-4a60-8927-884f2abf275b | mp-530303 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Mg8Ga16O32
_chemical_formula_sum "Mg8 Ga16 O32"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999986
_... | data_image0
_chemical_formula_structural Mg8Ga16O32Mg8Ga16O32Mg8Ga16O32Mg8Ga16O32Mg8Ga16O32Mg8Ga16O32
_chemical_formula_sum "Mg48 Ga96 O192"
_cell_length_a 5.93530032
_cell_length_b 11.87060064
_cell_length_c 58.95810906
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070... |
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