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 | 5acfaac9-109c-4c01-982f-21a72d6dac89 | mp-642822 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Ca4C8
_chemical_formula_sum "Ca4 C8"
_cell_length_a 6.69598787
_cell_length_b 7.744066819999999
_cell_length_c 4.05699111
_cell_angle_alpha 79.01721744
_cell_angle_beta 88.07361974999999
_cell_angle_gamma 70.84437664
_space_group_n... | data_image0
_chemical_formula_structural Ca4C8Ca4C8Ca4C8Ca4C8Ca4C8Ca4C8
_chemical_formula_sum "Ca24 C48"
_cell_length_a 6.69598787
_cell_length_b 23.232200459999994
_cell_length_c 8.11398222
_cell_angle_alpha 79.01721744
_cell_angle_beta 88.07361974999999
_cell_angle_gamma ... |
SuperCellAction | 4b12f36d-2807-4e2b-adbb-3a45cab7e18a | mp-1218836 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.38... | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr4 Eu4 Tl2 Ni4 O18"
_cell_length_a 30.4816467
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_g... |
SuperCellAction | e9ccdd0e-9e36-47b6-881c-03f46324c80b | mp-1111253 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Na2AlHgF6
_chemical_formula_sum "Na2 Al1 Hg1 F6"
_cell_length_a 6.106478
_cell_length_b 6.106478000000001
_cell_length_c 6.106478
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Na2AlHgF6Na2AlHgF6Na2AlHgF6Na2AlHgF6Na2AlHgF6Na2AlHgF6Na2AlHgF6Na2AlHgF6
_chemical_formula_sum "Na16 Al8 Hg8 F48"
_cell_length_a 24.425912
_cell_length_b 12.212956000000002
_cell_length_c 6.106478
_cell_angle_alpha 59.99999999999999
_cell_... |
SuperCellAction | 51a1079c-bf66-46ae-a2ee-2a27e193c1a8 | mp-1079634 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Tb4Sn2Au4Tb4Sn2Au4Tb4Sn2Au4Tb4Sn2Au4
_chemical_formula_sum "Tb16 Sn8 Au16"
_cell_length_a 15.83319618
_cell_length_b 15.833196179999998
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980... |
SuperCellAction | e653bd3d-52b3-486d-b8f6-dfd56af3b5ac | mp-1035975 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 YMg14SnO16YMg14SnO16YMg14SnO16
_chemical_formula_sum "Y3 Mg42 Sn3 O48"
_cell_length_a 26.527539
_cell_length_b 8.842513
_cell_length_c 4.451059
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | ec3c4a28-0e88-4396-a06e-4f4243b0920d | mp-2215839 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... | data_image0
_chemical_formula_structural Sr2MgZrCrO6Sr2MgZrCrO6Sr2MgZrCrO6Sr2MgZrCrO6Sr2MgZrCrO6Sr2MgZrCrO6
_chemical_formula_sum "Sr12 Mg6 Zr6 Cr6 O36"
_cell_length_a 13.70105172
_cell_length_b 17.019500819999998
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angl... |
SuperCellAction | 2a3ec5ea-e65a-46db-8ffd-258964d3c2d4 | mp-1213803 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Co2H12Br4
_chemical_formula_sum "Co2 H12 Br4"
_cell_length_a 7.34591159
_cell_length_b 4.967486
_cell_length_c 8.88894512
_cell_angle_alpha 90.0
_cell_angle_beta 96.30320412
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Co2H12Br4Co2H12Br4Co2H12Br4Co2H12Br4Co2H12Br4Co2H12Br4
_chemical_formula_sum "Co12 H72 Br24"
_cell_length_a 22.03773477
_cell_length_b 4.967486
_cell_length_c 17.77789024
_cell_angle_alpha 90.0
_cell_angle_beta 96.30320412
_cell_angle_... |
SuperCellAction | b55885ef-9a21-4542-b62f-517099e6d2b4 | mp-1019801 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural K8PO3
_chemical_formula_sum "K8 P1 O3"
_cell_length_a 6.855021
_cell_length_b 6.855021
_cell_length_c 6.855021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural K8PO3K8PO3K8PO3K8PO3
_chemical_formula_sum "K32 P4 O12"
_cell_length_a 6.855021
_cell_length_b 27.420084
_cell_length_c 6.855021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | b09f925f-abbd-4173-9a79-a33c4a608900 | mp-1112234 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural K2GaHgF6K2GaHgF6K2GaHgF6K2GaHgF6K2GaHgF6K2GaHgF6
_chemical_formula_sum "K12 Ga6 Hg6 F36"
_cell_length_a 12.61924258
_cell_length_b 6.30962129
_cell_length_c 18.928863869999997
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99... |
SuperCellAction | c5d2ee51-095d-4986-a509-262b2a8dd826 | mp-862605 | Create a supercell with the size 2X2X1. | 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 | 87836425-1bde-4a9b-9bdd-28f213aeff3b | mp-779472 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 5.33075
_cell_length_b 6.21188206
_cell_length_c 9.952614719999998
_cell_angle_alpha 90.05458698
_cell_angle_beta 90.09321507
_cell_angle_gamma 90.11288745
_space_... | data_image0
_chemical_formula_structural Li10Cu2P4O16Li10Cu2P4O16Li10Cu2P4O16Li10Cu2P4O16
_chemical_formula_sum "Li40 Cu8 P16 O64"
_cell_length_a 21.323
_cell_length_b 6.21188206
_cell_length_c 9.952614719999998
_cell_angle_alpha 90.05458698
_cell_angle_beta 90.09321507
_cell... |
SuperCellAction | 166435f3-e497-4fb7-ba93-c719e9669569 | mp-1209474 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... | data_image0
_chemical_formula_structural Sm4Ni4Pb4Sm4Ni4Pb4Sm4Ni4Pb4Sm4Ni4Pb4
_chemical_formula_sum "Sm16 Ni16 Pb16"
_cell_length_a 4.58978341
_cell_length_b 14.66363046
_cell_length_c 15.74102102
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_ga... |
SuperCellAction | 2ee26cb2-8220-4d33-8f69-0d88b2b7541c | mp-1220416 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Nb2Fe2O8
_chemical_formula_sum "Nb2 Fe2 O8"
_cell_length_a 4.732602
_cell_length_b 5.045943
_cell_length_c 5.717672
_cell_angle_alpha 89.99997862
_cell_angle_beta 89.99997787
_cell_angle_gamma 90.00033981
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Fe2O8Nb2Fe2O8
_chemical_formula_sum "Nb4 Fe4 O16"
_cell_length_a 9.465204
_cell_length_b 5.045943
_cell_length_c 5.717672
_cell_angle_alpha 89.99997862
_cell_angle_beta 89.99997787
_cell_angle_gamma 90.00033981
_space_group_name... |
SuperCellAction | 0adc110e-50fb-4f58-97a1-18ab2b090061 | mp-1210838 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_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 Mg2P2H12N2O10Mg2P2H12N2O10Mg2P2H12N2O10Mg2P2H12N2O10Mg2P2H12N2O10Mg2P2H12N2O10
_chemical_formula_sum "Mg12 P12 H72 N12 O60"
_cell_length_a 16.196739
_cell_length_b 7.180609
_cell_length_c 20.56529
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 6cc2d238-d794-4751-abec-95c948654c9d | mp-21717 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Fe28C12
_chemical_formula_sum "Fe28 C12"
_cell_length_a 4.517344
_cell_length_b 6.857112
_cell_length_c 11.762107
_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_I... | data_image0
_chemical_formula_structural Fe28C12Fe28C12
_chemical_formula_sum "Fe56 C24"
_cell_length_a 4.517344
_cell_length_b 13.714224
_cell_length_c 11.762107
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
SuperCellAction | 8d49e6f0-8740-4e3e-88cd-09a7e6e7f4ce | mp-8081 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Na4Sn2F12
_chemical_formula_sum "Na4 Sn2 F12"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_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 Na4Sn2F12Na4Sn2F12
_chemical_formula_sum "Na8 Sn4 F24"
_cell_length_a 5.02261199
_cell_length_b 10.04522398
_cell_length_c 10.03062163
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 1c258abe-2d04-40d8-88b0-662f961f99d1 | mp-800259 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8Li5Cr3FeO8
_chemical_formula_sum "Li10 Cr6 Fe2 O16"
_cell_length_a 5.994255
_cell_length_b 11.9945052
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.... |
SuperCellAction | 441253b1-ebdb-4bfe-9f71-839042b17597 | mp-1194481 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Sr6Sn6Au16
_chemical_formula_sum "Sr6 Sn6 Au16"
_cell_length_a 4.805574
_cell_length_b 9.803317
_cell_length_c 14.269834
_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 Sr6Sn6Au16Sr6Sn6Au16Sr6Sn6Au16Sr6Sn6Au16
_chemical_formula_sum "Sr24 Sn24 Au64"
_cell_length_a 4.805574
_cell_length_b 19.606634
_cell_length_c 28.539668
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 24d843c5-f5aa-40a7-bed0-ee348f3fc54f | mp-1209658 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... | data_image0
_chemical_formula_structural Pr10C12Br6Pr10C12Br6Pr10C12Br6Pr10C12Br6Pr10C12Br6Pr10C12Br6
_chemical_formula_sum "Pr60 C72 Br36"
_cell_length_a 3.93498562
_cell_length_b 34.89487911
_cell_length_c 28.0394912
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.9410441... |
SuperCellAction | b0e288ab-d50c-4c33-8b52-3da771b94c73 | mp-28763 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Ca16As16Pd16
_chemical_formula_sum "Ca16 As16 Pd16"
_cell_length_a 7.16018011
_cell_length_b 8.67165053
_cell_length_c 16.69388756
_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 Ca16As16Pd16Ca16As16Pd16Ca16As16Pd16
_chemical_formula_sum "Ca48 As48 Pd48"
_cell_length_a 7.16018011
_cell_length_b 8.67165053
_cell_length_c 50.08166268
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 8f057f82-ab8d-4cf6-aeb6-3e0bac2a18d4 | mp-1032803 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_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 Mg6MnZnO8Mg6MnZnO8
_chemical_formula_sum "Mg12 Mn2 Zn2 O16"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 8.6200003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 81901755-70d3-4fad-aa2b-65889140f0eb | mp-1017477 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural La2Mg12W2La2Mg12W2La2Mg12W2La2Mg12W2La2Mg12W2La2Mg12W2La2Mg12W2La2Mg12W2
_chemical_formula_sum "La16 Mg96 W16"
_cell_length_a 20.081908
_cell_length_b 12.865316
_cell_length_c 11.360022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | 96154a2b-0346-497f-a5f2-89bb10357433 | mp-2218799 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural NaMgFeSe2O8
_chemical_formula_sum "Na1 Mg1 Fe1 Se2 O8"
_cell_length_a 5.27080621
_cell_length_b 5.3473582
_cell_length_c 7.01823502
_cell_angle_alpha 88.14316109
_cell_angle_beta 92.70554027
_cell_angle_gamma 67.853843
_space_group... | data_image0
_chemical_formula_structural NaMgFeSe2O8NaMgFeSe2O8NaMgFeSe2O8NaMgFeSe2O8NaMgFeSe2O8NaMgFeSe2O8NaMgFeSe2O8NaMgFeSe2O8
_chemical_formula_sum "Na8 Mg8 Fe8 Se16 O64"
_cell_length_a 10.54161242
_cell_length_b 10.6947164
_cell_length_c 14.03647004
_cell_angle_alpha 88.1431... |
SuperCellAction | b803693c-151b-4cd4-9805-0dca47d31304 | mp-685281 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6
_chemical_formula_sum "Ti8 Zn8 H96 O48 F48"
_cell_length_a 26.08881968
_cell_length_b 13.04440984
_cell_length_c 6.522205700000001
_cell_angle_alpha 9... |
SuperCellAction | 1a26e348-fa5b-412f-8985-f7b469909814 | mp-1228545 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba12 Sr12 Y12 Cu36 O78"
_cell_length_a 24.80182492
_cell_length_b 12.37274741
_cell_length_c 16.40753502
_cell_angle_alpha 77.53392... |
SuperCellAction | 7112130c-bcf6-480d-b271-885db52b011f | mp-1518745 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural SrEuFeBiO6SrEuFeBiO6
_chemical_formula_sum "Sr2 Eu2 Fe2 Bi2 O12"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 11.65115348
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
SuperCellAction | 70313af4-ccd0-4bfd-8bcb-7c0e583a5953 | mp-1179984 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Pt4Br12N8
_chemical_formula_sum "Pt4 Br12 N8"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001
_spa... | data_image0
_chemical_formula_structural Pt4Br12N8Pt4Br12N8Pt4Br12N8Pt4Br12N8
_chemical_formula_sum "Pt16 Br48 N32"
_cell_length_a 9.81559763
_cell_length_b 36.54514164
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_ga... |
SuperCellAction | e59b2525-3bee-404b-b99e-8cde4c6cd76c | mp-1104537 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural NdAl8Cr4
_chemical_formula_sum "Nd1 Al8 Cr4"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_name_H-M... | data_image0
_chemical_formula_structural NdAl8Cr4NdAl8Cr4NdAl8Cr4NdAl8Cr4
_chemical_formula_sum "Nd4 Al32 Cr16"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 27.39570156
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.3207... |
SuperCellAction | fd68c838-497b-4049-88d9-1dc856b2241c | mp-1026412 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14SnBaMg14SnBaMg14SnBaMg14SnBaMg14SnBaMg14Sn
_chemical_formula_sum "Ba6 Mg84 Sn6"
_cell_length_a 13.15999428
_cell_length_b 19.73998971
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 12... |
SuperCellAction | bd62953e-f418-412a-b84f-f1078374d1e2 | mp-545404 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2Al2O7SrGd2Al2O7SrGd2Al2O7SrGd2Al2O7SrGd2Al2O7SrGd2Al2O7SrGd2Al2O7SrGd2Al2O7
_chemical_formula_sum "Sr8 Gd16 Al16 O56"
_cell_length_a 20.55183696
_cell_length_b 20.55183696
_cell_length_c 20.55183696
_cell_angle_alpha 159.00615157
_cel... |
SuperCellAction | 5970edaf-b597-4a6a-91a1-7117cfab8f1f | mp-1214455 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Ba4Fe8Si8O28
_chemical_formula_sum "Ba4 Fe8 Si8 O28"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba4Fe8Si8O28Ba4Fe8Si8O28Ba4Fe8Si8O28Ba4Fe8Si8O28Ba4Fe8Si8O28Ba4Fe8Si8O28Ba4Fe8Si8O28Ba4Fe8Si8O28
_chemical_formula_sum "Ba32 Fe64 Si64 O224"
_cell_length_a 28.032122
_cell_length_b 7.209923
_cell_length_c 30.428830999999995
_cell_angle_alpha ... |
SuperCellAction | 1bf433b5-7b54-464f-8d65-929dc9785e27 | mp-1043054 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_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 Ti4Zn4Ni4P8O36Ti4Zn4Ni4P8O36Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti12 Zn12 Ni12 P24 O108"
_cell_length_a 6.272034
_cell_length_b 22.029759
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | ea96fe55-11f7-42d9-835f-65a3547e8a15 | mp-1223532 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 K2La2C2O8K2La2C2O8K2La2C2O8K2La2C2O8K2La2C2O8K2La2C2O8K2La2C2O8K2La2C2O8
_chemical_formula_sum "K16 La16 C16 O64"
_cell_length_a 7.372194
_cell_length_b 9.521238
_cell_length_c 24.392768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 69c0c311-95f6-4d45-af42-7c523ce8a9ce | mp-759887 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Sr18Ni14O42
_chemical_formula_sum "Sr18 Ni14 O42"
_cell_length_a 13.23519218
_cell_length_b 13.235192179999999
_cell_length_c 13.235192049999998
_cell_angle_alpha 42.20770340999998
_cell_angle_beta 42.207703409999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr18Ni14O42Sr18Ni14O42Sr18Ni14O42
_chemical_formula_sum "Sr54 Ni42 O126"
_cell_length_a 39.70557654
_cell_length_b 13.235192179999999
_cell_length_c 13.235192049999998
_cell_angle_alpha 42.20770340999998
_cell_angle_beta 42.20770340999... |
SuperCellAction | 4d76d2ad-d399-4f48-bc56-5cefcc9c123e | mp-626121 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural V3H5O8
_chemical_formula_sum "V3 H5 O8"
_cell_length_a 10.1393081
_cell_length_b 10.15314353
_cell_length_c 4.9295866
_cell_angle_alpha 77.34854725
_cell_angle_beta 102.7674122
_cell_angle_gamma 162.59563102
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural V3H5O8V3H5O8V3H5O8V3H5O8
_chemical_formula_sum "V12 H20 O32"
_cell_length_a 40.5572324
_cell_length_b 10.15314353
_cell_length_c 4.9295866
_cell_angle_alpha 77.34854725
_cell_angle_beta 102.7674122
_cell_angle_gamma 162.59563102
_s... |
SuperCellAction | ad509821-e990-44a2-884b-b481f6bd20d9 | mp-765641 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32
_chemical_formula_sum "Li64 Fe64 P64 O256"
_cell_length_a 19.741468
_cell_length_b 15.40447
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_c... |
SuperCellAction | 57d62810-ab2c-43e0-aabd-8ef6eb22d817 | mp-7062 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Mg3Al9FeSi5
_chemical_formula_sum "Mg3 Al9 Fe1 Si5"
_cell_length_a 6.63447981
_cell_length_b 6.634479809999999
_cell_length_c 7.86912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999808999999
_space_group_na... | data_image0
_chemical_formula_structural Mg3Al9FeSi5Mg3Al9FeSi5Mg3Al9FeSi5Mg3Al9FeSi5Mg3Al9FeSi5Mg3Al9FeSi5Mg3Al9FeSi5Mg3Al9FeSi5
_chemical_formula_sum "Mg24 Al72 Fe8 Si40"
_cell_length_a 13.26895962
_cell_length_b 6.634479809999999
_cell_length_c 31.47648
_cell_angle_alpha 90.0
... |
SuperCellAction | 5218a2c5-bf24-40d0-b4d8-a9129d082575 | mp-1221030 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Ni32Sn24
_chemical_formula_sum "Ni32 Sn24"
_cell_length_a 5.213783
_cell_length_b 7.066098
_cell_length_c 24.57819798
_cell_angle_alpha 89.90060383000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ni32Sn24Ni32Sn24Ni32Sn24Ni32Sn24
_chemical_formula_sum "Ni128 Sn96"
_cell_length_a 10.427566
_cell_length_b 7.066098
_cell_length_c 49.15639596
_cell_angle_alpha 89.90060383000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 1b3401ff-a6b7-4a1a-9e6d-11835f5009d9 | mp-759549 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mn2P8O24Mn2P8O24
_chemical_formula_sum "Mn4 P16 O48"
_cell_length_a 8.773979
_cell_length_b 14.264594
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 6f439b0f-71d2-4ff3-a778-715970f071cc | mp-1113577 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Cs2AlAgBr6
_chemical_formula_sum "Cs2 Al1 Ag1 Br6"
_cell_length_a 7.73385031
_cell_length_b 7.73385031
_cell_length_c 7.73385031
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2AlAgBr6Cs2AlAgBr6Cs2AlAgBr6Cs2AlAgBr6Cs2AlAgBr6Cs2AlAgBr6
_chemical_formula_sum "Cs12 Al6 Ag6 Br36"
_cell_length_a 7.73385031
_cell_length_b 23.20155093
_cell_length_c 15.46770062
_cell_angle_alpha 59.999999999999986
_cell_angle_beta ... |
SuperCellAction | d51210dd-6689-4343-9ad0-0b3a5ee995e2 | mp-13211 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14Ag4Te4O14Ag4Te4O14Ag4Te4O14
_chemical_formula_sum "Ag16 Te16 O56"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 29.30370336
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_ga... |
SuperCellAction | 4bbfb5cc-b01b-45d8-b47d-58b248972f6a | mp-1197552 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural U8Pb4Se20U8Pb4Se20U8Pb4Se20U8Pb4Se20U8Pb4Se20U8Pb4Se20U8Pb4Se20U8Pb4Se20
_chemical_formula_sum "U64 Pb32 Se160"
_cell_length_a 15.645386
_cell_length_b 32.434
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 3cccac68-9ea9-4eca-b842-ca69f3e301dc | mp-703305 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Na8P4H4O16
_chemical_formula_sum "Na8 P4 H4 O16"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Na8P4H4O16Na8P4H4O16Na8P4H4O16Na8P4H4O16Na8P4H4O16Na8P4H4O16Na8P4H4O16Na8P4H4O16
_chemical_formula_sum "Na64 P32 H32 O128"
_cell_length_a 6.927296
_cell_length_b 11.013598
_cell_length_c 44.322952599999994
_cell_angle_alpha 63.676256420000... |
SuperCellAction | b126a305-8d9c-4983-a8c3-aa3e0a1247f0 | mp-2240398 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Ba2TmMgNbO6
_chemical_formula_sum "Ba2 Tm1 Mg1 Nb1 O6"
_cell_length_a 6.75880253
_cell_length_b 6.75552657
_cell_length_c 6.75552659
_cell_angle_alpha 52.21155875999998
_cell_angle_beta 52.209163479999994
_cell_angle_gamma 52.209159... | data_image0
_chemical_formula_structural Ba2TmMgNbO6Ba2TmMgNbO6Ba2TmMgNbO6Ba2TmMgNbO6
_chemical_formula_sum "Ba8 Tm4 Mg4 Nb4 O24"
_cell_length_a 6.75880253
_cell_length_b 6.75552657
_cell_length_c 27.02210636
_cell_angle_alpha 52.21155875999998
_cell_angle_beta 52.20916347999... |
SuperCellAction | 8d42fc5b-6da7-480e-ad78-0620555de806 | mp-720255 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Sr20P12ClO48F3
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023196699... | data_image0
_chemical_formula_structural Sr20P12ClO48F3Sr20P12ClO48F3Sr20P12ClO48F3Sr20P12ClO48F3Sr20P12ClO48F3Sr20P12ClO48F3Sr20P12ClO48F3Sr20P12ClO48F3
_chemical_formula_sum "Sr160 P96 Cl8 O384 F24"
_cell_length_a 14.719904
_cell_length_b 9.90469101
_cell_length_c 68.61634068
_cel... |
SuperCellAction | dd4fcddf-0abf-4464-974b-5cbcc6a61f5c | mp-27741 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te4Au4I4Te4Au4I4
_chemical_formula_sum "Te8 Au8 I8"
_cell_length_a 7.30427224
_cell_length_b 15.292616939999998
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name... |
SuperCellAction | 3b175f5a-6b19-4226-8ca2-94f2a7285df6 | mp-1179899 | Create a supercell with the size 2×3×1. | 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 Pt4N8Cl8O8Pt4N8Cl8O8Pt4N8Cl8O8Pt4N8Cl8O8Pt4N8Cl8O8Pt4N8Cl8O8
_chemical_formula_sum "Pt24 N48 Cl48 O48"
_cell_length_a 15.057108
_cell_length_b 22.585662
_cell_length_c 16.85768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | a6ceef96-1661-4aa1-935f-5665652f90c8 | mp-29267 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Sn20Sb8S36
_chemical_formula_sum "Sn20 Sb8 S36"
_cell_length_a 11.533373
_cell_length_b 11.62481
_cell_length_c 11.663316
_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 Sn20Sb8S36Sn20Sb8S36Sn20Sb8S36Sn20Sb8S36Sn20Sb8S36Sn20Sb8S36
_chemical_formula_sum "Sn120 Sb48 S216"
_cell_length_a 23.066746
_cell_length_b 11.62481
_cell_length_c 34.989948
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 10d9a76e-c8cd-4574-89db-3b6af4842747 | mp-1225820 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Er3Ga8Ni3
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_grou... | data_image0
_chemical_formula_structural Er3Ga8Ni3Er3Ga8Ni3Er3Ga8Ni3Er3Ga8Ni3
_chemical_formula_sum "Er12 Ga32 Ni12"
_cell_length_a 15.93014016
_cell_length_b 7.96507008
_cell_length_c 19.00723738
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma ... |
SuperCellAction | 3e966902-2da8-4f80-b774-07b534927648 | mp-1247664 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Sr3Ca5Mn8O24
_chemical_formula_sum "Sr3 Ca5 Mn8 O24"
_cell_length_a 7.667348
_cell_length_b 7.667378
_cell_length_c 7.667348
_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 Sr3Ca5Mn8O24Sr3Ca5Mn8O24Sr3Ca5Mn8O24Sr3Ca5Mn8O24Sr3Ca5Mn8O24Sr3Ca5Mn8O24
_chemical_formula_sum "Sr18 Ca30 Mn48 O144"
_cell_length_a 23.002043999999998
_cell_length_b 15.334756
_cell_length_c 7.667348
_cell_angle_alpha 90.0
_cell_angle_beta... |
SuperCellAction | f53c5096-4457-43f3-a122-343c3a862503 | mp-636519 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8
_chemical_formula_sum "Ni16 Rh32 O64"
_cell_length_a 11.93574244
_cell_length_b 24.59346028
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.0... |
SuperCellAction | b780d024-67de-4b4e-9019-3144865e2d34 | mp-1020642 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Sr12Y8B16O48
_chemical_formula_sum "Sr12 Y8 B16 O48"
_cell_length_a 7.548728
_cell_length_b 8.728134
_cell_length_c 15.798097
_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 Sr12Y8B16O48Sr12Y8B16O48Sr12Y8B16O48
_chemical_formula_sum "Sr36 Y24 B48 O144"
_cell_length_a 7.548728
_cell_length_b 8.728134
_cell_length_c 47.394291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | 8e4cf82a-8179-4002-8a3d-a87e56c60094 | mp-11609 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4
_chemical_formula_sum "Sb8 Mo16 S16"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 37.93036424
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 4006fd84-d46c-42a4-b8b8-b6a9277f2779 | mp-34578 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8Y6F34Ba8Y6F34Ba8Y6F34
_chemical_formula_sum "Ba24 Y18 F102"
_cell_length_a 27.92802768
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
... |
SuperCellAction | fdfd37f9-dfb1-4689-b955-2cc4f7f51422 | mp-1199595 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle_gamma... | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2MnSn4H24C8Se10N2MnSn4H24C8Se10N2MnSn4H24C8Se10N2MnSn4H24C8Se10N2MnSn4H24C8Se10N2MnSn4H24C8Se10N2MnSn4H24C8Se10N2
_chemical_formula_sum "Mn8 Sn32 H192 C64 Se80 N16"
_cell_length_a 43.66663852
_cell_length_b 21.83331926
_cell_length_c... |
SuperCellAction | 41ecd35e-82af-4ca9-8df1-d4ced89e7dc7 | mp-641010 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural La16Te12N8
_chemical_formula_sum "La16 Te12 N8"
_cell_length_a 7.51634334
_cell_length_b 11.69897623
_cell_length_c 11.87870996
_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 La16Te12N8La16Te12N8La16Te12N8La16Te12N8La16Te12N8La16Te12N8
_chemical_formula_sum "La96 Te72 N48"
_cell_length_a 15.03268668
_cell_length_b 11.69897623
_cell_length_c 35.63612988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 6de56653-ace9-42d7-a3dc-c3934dbe3aa5 | mp-1176021 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li36 Mn8 Co20 O64"
_cell_length_a 10.226602
_cell_length_b 11.76233706
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_... |
SuperCellAction | b99fa462-a9eb-4178-93a5-c0157f573cdb | mp-2219397 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Y2MgCr2O8
_chemical_formula_sum "Y2 Mg1 Cr2 O8"
_cell_length_a 5.04606392
_cell_length_b 5.149407280000001
_cell_length_c 7.896295460000001
_cell_angle_alpha 105.43100437999999
_cell_angle_beta 105.25056005
_cell_angle_gamma 100.198... | data_image0
_chemical_formula_structural Y2MgCr2O8Y2MgCr2O8Y2MgCr2O8Y2MgCr2O8
_chemical_formula_sum "Y8 Mg4 Cr8 O32"
_cell_length_a 20.18425568
_cell_length_b 5.149407280000001
_cell_length_c 7.896295460000001
_cell_angle_alpha 105.43100437999999
_cell_angle_beta 105.25056005... |
SuperCellAction | 615cc8b2-4eca-454b-91f9-1ac354ffe4cc | mp-1174614 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 5.15001998
_cell_length_b 7.71852731
_cell_length_c 7.65829315
_cell_angle_alpha 64.20479296
_cell_angle_beta 83.14441006
_cell_angle_gamma 108.31304287999998
_spa... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14
_chemical_formula_sum "Li32 Mn8 Co16 O56"
_cell_length_a 10.30003996
_cell_length_b 7.71852731
_cell_length_c 15.3165863
_cell_angle_alpha 64.20479296
_cell_angle_beta 83.14441006
_cell_... |
SuperCellAction | fbed983c-0435-4028-8d6f-92ca999c5641 | mp-766542 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16
_chemical_formula_sum "Li32 Fe32 Si32 O128"
_cell_length_a 5.101228
_cell_length_b 12.762056
_cell_length_c 43.37804
_cell_angle_alpha 90.0
_c... |
SuperCellAction | 7c93a18d-1a23-40d6-bb9c-c899240f427c | mp-1219949 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16
_chemical_formula_sum "Pr16 Al8 Fe128"
_cell_length_a 12.94431952
_cell_length_b 12.94431952
_cell_length_c 12.944319180000003
_cell_angle_alpha 82.75117038000002
_ce... |
SuperCellAction | 662fc979-a58d-4d9d-b9ef-b89fee51bafc | mp-7998 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge4O10Li4Ge4O10Li4Ge4O10Li4Ge4O10Li4Ge4O10Li4Ge4O10Li4Ge4O10Li4Ge4O10
_chemical_formula_sum "Li32 Ge32 O80"
_cell_length_a 8.20316122
_cell_length_b 32.81264488
_cell_length_c 9.89811822
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | aa8d2879-6863-45a8-bc60-eaf531733c2a | mp-1103868 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural ZnRe2O12
_chemical_formula_sum "Zn1 Re2 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_group_... | data_image0
_chemical_formula_structural ZnRe2O12ZnRe2O12ZnRe2O12ZnRe2O12ZnRe2O12ZnRe2O12
_chemical_formula_sum "Zn6 Re12 O72"
_cell_length_a 18.119367
_cell_length_b 7.14870953
_cell_length_c 14.52796714
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell... |
SuperCellAction | cc2d8969-c5c0-4e1d-909b-b4091c8460e5 | mp-1104546 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B6Mo6Co2B6Mo6Co2B6Mo6Co2B6Mo6Co2B6Mo6Co2B6Mo6Co2B6Mo6Co2B6Mo6
_chemical_formula_sum "Co16 B48 Mo48"
_cell_length_a 6.30234026
_cell_length_b 8.99737228
_cell_length_c 21.47699288
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_... |
SuperCellAction | 2bf867a3-4b1f-421c-b6e1-363fa90cf329 | mp-560937 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Na6Si6Sn2O18F2
_chemical_formula_sum "Na6 Si6 Sn2 O18 F2"
_cell_length_a 8.75381785
_cell_length_b 8.75381785
_cell_length_c 6.52107054
_cell_angle_alpha 77.06337995
_cell_angle_beta 77.06337995
_cell_angle_gamma 105.87606228000001
... | data_image0
_chemical_formula_structural Na6Si6Sn2O18F2Na6Si6Sn2O18F2Na6Si6Sn2O18F2Na6Si6Sn2O18F2
_chemical_formula_sum "Na24 Si24 Sn8 O72 F8"
_cell_length_a 17.5076357
_cell_length_b 17.5076357
_cell_length_c 6.52107054
_cell_angle_alpha 77.06337995
_cell_angle_beta 77.06337... |
SuperCellAction | d69b5505-d168-4593-98dd-ba30eaf8eed7 | mp-862697 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Er4Mg2Ge4
_chemical_formula_sum "Er4 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_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 Er4Mg2Ge4Er4Mg2Ge4Er4Mg2Ge4Er4Mg2Ge4Er4Mg2Ge4Er4Mg2Ge4Er4Mg2Ge4Er4Mg2Ge4
_chemical_formula_sum "Er32 Mg16 Ge32"
_cell_length_a 4.17537634
_cell_length_b 14.37573084
_cell_length_c 28.75146168
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 6730d9bd-a82a-4693-8885-c28255311faf | mp-34578 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8Y6F34Ba8Y6F34Ba8Y6F34Ba8Y6F34Ba8Y6F34Ba8Y6F34Ba8Y6F34Ba8Y6F34
_chemical_formula_sum "Ba64 Y48 F272"
_cell_length_a 9.30934256
_cell_length_b 18.57878588
_cell_length_c 37.49850584
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84... |
SuperCellAction | 0117dceb-6ff0-4236-9cd3-8636b67429ec | mp-1111088 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF6Na2AlAuF6Na2AlAuF6Na2AlAuF6
_chemical_formula_sum "Na8 Al4 Au4 F24"
_cell_length_a 24.04134772
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_a... |
SuperCellAction | 37a334b1-bce6-4a07-9449-0ba88791b5b2 | mp-1210476 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Np2H32C6N8O22
_chemical_formula_sum "Np2 H32 C6 N8 O22"
_cell_length_a 7.30527333
_cell_length_b 7.305273330000001
_cell_length_c 13.02708929
_cell_angle_alpha 87.43786131
_cell_angle_beta 87.43786131
_cell_angle_gamma 78.98552145
... | data_image0
_chemical_formula_structural Np2H32C6N8O22Np2H32C6N8O22Np2H32C6N8O22Np2H32C6N8O22Np2H32C6N8O22Np2H32C6N8O22
_chemical_formula_sum "Np12 H192 C36 N48 O132"
_cell_length_a 7.30527333
_cell_length_b 21.915819990000003
_cell_length_c 26.05417858
_cell_angle_alpha 87.43786... |
SuperCellAction | 0262e122-8ceb-4240-8304-f2b86202c1a4 | mp-1197555 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Ca2Al4Si8O28
_chemical_formula_sum "Ca2 Al4 Si8 O28"
_cell_length_a 10.03255162
_cell_length_b 10.03255162
_cell_length_c 7.582514060000001
_cell_angle_alpha 74.39628326
_cell_angle_beta 74.39628326
_cell_angle_gamma 83.1367042
_sp... | data_image0
_chemical_formula_structural Ca2Al4Si8O28Ca2Al4Si8O28Ca2Al4Si8O28Ca2Al4Si8O28
_chemical_formula_sum "Ca8 Al16 Si32 O112"
_cell_length_a 20.06510324
_cell_length_b 20.06510324
_cell_length_c 7.582514060000001
_cell_angle_alpha 74.39628326
_cell_angle_beta 74.396283... |
SuperCellAction | c9aa6943-5839-4478-8dca-f3c66e25379f | mp-770361 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Li4V8B4O20
_chemical_formula_sum "Li4 V8 B4 O20"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_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 Li4V8B4O20Li4V8B4O20Li4V8B4O20
_chemical_formula_sum "Li12 V24 B12 O60"
_cell_length_a 3.058613
_cell_length_b 27.944769
_cell_length_c 12.401503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SuperCellAction | c402d37e-d5d6-4cc9-9892-7a3a39fe45a7 | mp-1195337 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Ir4Se12Br36
_chemical_formula_sum "Ir4 Se12 Br36"
_cell_length_a 9.68802508
_cell_length_b 12.26402471
_cell_length_c 14.15619962
_cell_angle_alpha 90.80305997999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ir4Se12Br36Ir4Se12Br36
_chemical_formula_sum "Ir8 Se24 Br72"
_cell_length_a 19.37605016
_cell_length_b 12.26402471
_cell_length_c 14.15619962
_cell_angle_alpha 90.80305997999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | b8a2044d-92fe-4435-a8b9-1e610f779b5c | mp-1192688 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zn4N24Zn4N24
_chemical_formula_sum "Zn8 N48"
_cell_length_a 3.46225614
_cell_length_b 32.69835478
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SuperCellAction | fcbea953-f7a5-4110-a101-fa95c99b1886 | mp-38090 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O24Fe12Cu6O24
_chemical_formula_sum "Fe24 Cu12 O48"
_cell_length_a 6.05186412
_cell_length_b 12.10372824
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.097150... |
SuperCellAction | bfb5c4d6-9255-4119-9281-f8a198e791a7 | mp-530303 | Create a supercell with the size 1x3x2. | 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 17.80590096
_cell_length_c 39.305406039999994
_cell_angle_alpha 81.47070874
_cell_angle_beta 8... |
SuperCellAction | c81502f1-f9e1-4d2f-bc67-acbfdc946eae | mp-2913130 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Li3VF8
_chemical_formula_sum "Li3 V1 F8"
_cell_length_a 5.99358865
_cell_length_b 5.9935886499999995
_cell_length_c 5.475367460000001
_cell_angle_alpha 73.83672157
_cell_angle_beta 73.83672157
_cell_angle_gamma 110.45852953
_space_... | data_image0
_chemical_formula_structural Li3VF8Li3VF8Li3VF8Li3VF8Li3VF8Li3VF8
_chemical_formula_sum "Li18 V6 F48"
_cell_length_a 17.980765950000002
_cell_length_b 11.987177299999999
_cell_length_c 5.475367460000001
_cell_angle_alpha 73.83672157
_cell_angle_beta 73.83672157
_c... |
SuperCellAction | 43af23a8-c71a-4a93-8c02-306b5ec236b2 | mp-755878 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu6OF11Cu6OF11Cu6OF11Cu6OF11Cu6OF11Cu6OF11
_chemical_formula_sum "Cu36 O6 F66"
_cell_length_a 16.64317638
_cell_length_b 5.83613003
_cell_length_c 13.88101138
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma... |
SuperCellAction | 96674ec2-e335-49be-aa0d-1b462cd7a193 | mp-1227253 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24
_chemical_formula_sum "Ca8 U24 Ti64 O192"
_cell_length_a 15.00948
_cell_length_b 31.43129576
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_ang... |
SuperCellAction | 3057799a-e694-4ba1-b763-d363b7372ba5 | mp-1181827 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Er12N4F40
_chemical_formula_sum "Er12 N4 F40"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er12N4F40Er12N4F40Er12N4F40Er12N4F40Er12N4F40Er12N4F40
_chemical_formula_sum "Er72 N24 F240"
_cell_length_a 16.25286646
_cell_length_b 24.37929969
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 2bec35dd-b1bb-4882-9ac3-335178fd4097 | mp-641116 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural GdMn4Cu3O12
_chemical_formula_sum "Gd1 Mn4 Cu3 O12"
_cell_length_a 6.37845994
_cell_length_b 6.4576094
_cell_length_c 6.45219108
_cell_angle_alpha 111.0051748
_cell_angle_beta 110.61174709
_cell_angle_gamma 107.00825315
_space_grou... | data_image0
_chemical_formula_structural GdMn4Cu3O12GdMn4Cu3O12GdMn4Cu3O12
_chemical_formula_sum "Gd3 Mn12 Cu9 O36"
_cell_length_a 19.13537982
_cell_length_b 6.4576094
_cell_length_c 6.45219108
_cell_angle_alpha 111.0051748
_cell_angle_beta 110.61174709
_cell_angle_gamma 1... |
SuperCellAction | 5883b605-8538-448c-965d-75dde516517e | mp-1177674 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Li12Mn16O32
_chemical_formula_sum "Li12 Mn16 O32"
_cell_length_a 8.357872
_cell_length_b 8.88809956
_cell_length_c 10.12754406
_cell_angle_alpha 116.01511995
_cell_angle_beta 114.00596833
_cell_angle_gamma 89.78675433
_space_group_... | data_image0
_chemical_formula_structural Li12Mn16O32Li12Mn16O32Li12Mn16O32Li12Mn16O32Li12Mn16O32Li12Mn16O32Li12Mn16O32Li12Mn16O32
_chemical_formula_sum "Li96 Mn128 O256"
_cell_length_a 33.431488
_cell_length_b 17.77619912
_cell_length_c 10.12754406
_cell_angle_alpha 116.01511995
... |
SuperCellAction | 7aae0e33-4b4b-4264-894d-cd3c993db12d | mp-1105260 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2Tb8In2Ge8Rh2Tb8In2Ge8Rh2Tb8In2Ge8Rh2Tb8In2Ge8Rh2Tb8In2Ge8Rh2
_chemical_formula_sum "Tb48 In12 Ge48 Rh12"
_cell_length_a 10.44400831
_cell_length_b 31.332024929999996
_cell_length_c 20.74746714
_cell_angle_alpha 75.29995745
_cel... |
SuperCellAction | 8263ced8-a6e9-4297-b5c2-d483aba51f33 | mp-1178619 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl8O32Zr2Cl8O32
_chemical_formula_sum "Zr4 Cl16 O64"
_cell_length_a 16.54200626
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
... |
SuperCellAction | c065697d-c3df-45ed-9c20-f467f702579c | mp-581602 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Zn12S12
_chemical_formula_sum "Zn12 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.845026259999922
_s... | data_image0
_chemical_formula_structural Zn12S12Zn12S12
_chemical_formula_sum "Zn24 S24"
_cell_length_a 75.6759773
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.8450262599999... |
SuperCellAction | 31ffafad-db03-451d-8b0a-47c08528e4a9 | mp-1195898 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Na32Fe8O24
_chemical_formula_sum "Na32 Fe8 O24"
_cell_length_a 8.27161625
_cell_length_b 10.735101730000002
_cell_length_c 11.804437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.32355269
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na32Fe8O24Na32Fe8O24Na32Fe8O24Na32Fe8O24Na32Fe8O24Na32Fe8O24Na32Fe8O24Na32Fe8O24
_chemical_formula_sum "Na256 Fe64 O192"
_cell_length_a 33.086465
_cell_length_b 21.470203460000004
_cell_length_c 11.804437
_cell_angle_alpha 90.0
_cell_angle... |
SuperCellAction | a449ffe2-0968-4491-b396-e425f7ba3e93 | mp-2589 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Mg4O8
_chemical_formula_sum "Mg4 O8"
_cell_length_a 4.82861247
_cell_length_b 4.82861247
_cell_length_c 4.82861247
_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 Mg4O8Mg4O8Mg4O8Mg4O8Mg4O8Mg4O8Mg4O8Mg4O8
_chemical_formula_sum "Mg32 O64"
_cell_length_a 9.65722494
_cell_length_b 19.31444988
_cell_length_c 4.82861247
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 660f2636-a188-438a-981b-1130c90f494a | mp-761038 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Li10Ni4P6O24
_chemical_formula_sum "Li10 Ni4 P6 O24"
_cell_length_a 8.318733
_cell_length_b 8.35928295
_cell_length_c 9.17467443
_cell_angle_alpha 63.41981986
_cell_angle_beta 63.34008638
_cell_angle_gamma 60.19371216
_space_group_... | data_image0
_chemical_formula_structural Li10Ni4P6O24Li10Ni4P6O24Li10Ni4P6O24Li10Ni4P6O24
_chemical_formula_sum "Li40 Ni16 P24 O96"
_cell_length_a 8.318733
_cell_length_b 33.4371318
_cell_length_c 9.17467443
_cell_angle_alpha 63.41981986
_cell_angle_beta 63.34008638
_cell_ang... |
SuperCellAction | 4c2a98c2-591c-446c-b2a9-afff71d2c970 | mp-1194528 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Dy2Fe12Sn12
_chemical_formula_sum "Dy2 Fe12 Sn12"
_cell_length_a 10.3699004
_cell_length_b 10.3699004
_cell_length_c 5.412103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 128.86439674
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Dy2Fe12Sn12Dy2Fe12Sn12Dy2Fe12Sn12Dy2Fe12Sn12Dy2Fe12Sn12Dy2Fe12Sn12Dy2Fe12Sn12Dy2Fe12Sn12
_chemical_formula_sum "Dy16 Fe96 Sn96"
_cell_length_a 20.7398008
_cell_length_b 10.3699004
_cell_length_c 21.648412
_cell_angle_alpha 90.0
_cell_angle... |
SuperCellAction | 28ebad99-93f6-4f1c-a864-9cba73ff17e7 | mp-2212246 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Sr8Nb4O18
_chemical_formula_sum "Sr8 Nb4 O18"
_cell_length_a 5.90872405
_cell_length_b 5.90872062
_cell_length_c 15.762812549999998
_cell_angle_alpha 90.00005021
_cell_angle_beta 89.99995657
_cell_angle_gamma 120.00006697999999
_sp... | data_image0
_chemical_formula_structural Sr8Nb4O18Sr8Nb4O18Sr8Nb4O18Sr8Nb4O18Sr8Nb4O18Sr8Nb4O18Sr8Nb4O18Sr8Nb4O18
_chemical_formula_sum "Sr64 Nb32 O144"
_cell_length_a 23.6348962
_cell_length_b 11.81744124
_cell_length_c 15.762812549999998
_cell_angle_alpha 90.00005021
_cell_angl... |
SuperCellAction | 7d083f36-41c7-4f6a-a082-8b94c50c8caf | mp-1237973 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Y2Mg2S6
_chemical_formula_sum "Y2 Mg2 S6"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_nam... | data_image0
_chemical_formula_structural Y2Mg2S6Y2Mg2S6Y2Mg2S6
_chemical_formula_sum "Y6 Mg6 S18"
_cell_length_a 6.92440926
_cell_length_b 20.773227780000003
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.760... |
SuperCellAction | 3417f0d2-6ae2-4fca-9516-1dae6ae9c776 | mp-543011 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Zn7S7
_chemical_formula_sum "Zn7 S7"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_space_... | data_image0
_chemical_formula_structural Zn7S7Zn7S7Zn7S7Zn7S7
_chemical_formula_sum "Zn28 S28"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 88.62952324
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.9920314... |
SuperCellAction | 658bff8d-90d3-4f3d-a6b5-1e13356ac859 | mp-1191430 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Cu4Cl12O8
_chemical_formula_sum "Cu4 Cl12 O8"
_cell_length_a 10.034075
_cell_length_b 5.768547
_cell_length_c 8.95964876
_cell_angle_alpha 69.11527901
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cu4Cl12O8Cu4Cl12O8Cu4Cl12O8
_chemical_formula_sum "Cu12 Cl36 O24"
_cell_length_a 10.034075
_cell_length_b 17.305641
_cell_length_c 8.95964876
_cell_angle_alpha 69.11527901
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 9c227cf4-e7c7-4042-a9ea-125b1d2dc246 | mp-1245289 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Cr8Fe24O48
_chemical_formula_sum "Cr8 Fe24 O48"
_cell_length_a 9.89420268
_cell_length_b 9.75812442
_cell_length_c 10.41023344
_cell_angle_alpha 97.09655927
_cell_angle_beta 92.28434856
_cell_angle_gamma 92.56407816000001
_space_gr... | data_image0
_chemical_formula_structural Cr8Fe24O48Cr8Fe24O48Cr8Fe24O48Cr8Fe24O48
_chemical_formula_sum "Cr32 Fe96 O192"
_cell_length_a 19.78840536
_cell_length_b 9.75812442
_cell_length_c 20.82046688
_cell_angle_alpha 97.09655927
_cell_angle_beta 92.28434856
_cell_angle_gamm... |
SuperCellAction | b704de19-09bc-4cd3-b00a-95e007778350 | mp-1035479 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural RbLiMg14O15
_chemical_formula_sum "Rb1 Li1 Mg14 O15"
_cell_length_a 4.204973
_cell_length_b 8.266132
_cell_length_c 10.351018
_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 RbLiMg14O15RbLiMg14O15RbLiMg14O15RbLiMg14O15RbLiMg14O15RbLiMg14O15RbLiMg14O15RbLiMg14O15
_chemical_formula_sum "Rb8 Li8 Mg112 O120"
_cell_length_a 8.409946
_cell_length_b 16.532264
_cell_length_c 20.702036
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | bec18148-0ac8-4ccf-a031-d3a51a882e75 | mp-1207356 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural RbTm3O6
_chemical_formula_sum "Rb1 Tm3 O6"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural RbTm3O6RbTm3O6RbTm3O6RbTm3O6
_chemical_formula_sum "Rb4 Tm12 O24"
_cell_length_a 19.02889402
_cell_length_b 19.02889402
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_gro... |
SuperCellAction | 06ad12eb-248c-4658-a923-60944295253c | mp-1200969 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_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 B12Pb12N4O40B12Pb12N4O40
_chemical_formula_sum "B24 Pb24 N8 O80"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 22.19160158
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | f90809ba-f187-4a49-b1ba-b8065e37459d | mp-1237178 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... | data_image0
_chemical_formula_structural Hf3NiF6Hf3NiF6Hf3NiF6Hf3NiF6
_chemical_formula_sum "Hf12 Ni4 F24"
_cell_length_a 27.28735816
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 13... |
SuperCellAction | 256d4c2f-7376-451d-9d04-ffa16416a59b | mp-28408 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural K4Tc4Cl12
_chemical_formula_sum "K4 Tc4 Cl12"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
... | data_image0
_chemical_formula_structural K4Tc4Cl12K4Tc4Cl12K4Tc4Cl12
_chemical_formula_sum "K12 Tc12 Cl36"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 27.18063375
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma ... |
SuperCellAction | 00c0b826-c5ed-43cb-aaa1-e36eee3a3c7a | mp-1021403 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Li2Mg12Sn2
_chemical_formula_sum "Li2 Mg12 Sn2"
_cell_length_a 5.113851
_cell_length_b 6.377667
_cell_length_c 11.010383
_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 Li2Mg12Sn2Li2Mg12Sn2Li2Mg12Sn2Li2Mg12Sn2Li2Mg12Sn2Li2Mg12Sn2
_chemical_formula_sum "Li12 Mg72 Sn12"
_cell_length_a 15.341553000000001
_cell_length_b 6.377667
_cell_length_c 22.020766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 63486d20-1045-45b8-b62a-7a5b0dd77481 | mp-20250 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_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_I... | data_image0
_chemical_formula_structural Pd8S8Pd8S8Pd8S8Pd8S8
_chemical_formula_sum "Pd32 S32"
_cell_length_a 12.94443572
_cell_length_b 6.47221786
_cell_length_c 13.2710636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
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