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 | b74efd61-7eab-4f2f-b8bf-c267c6ff5eb8 | mp-1191092 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Ba4Na2Cu6S10
_chemical_formula_sum "Ba4 Na2 Cu6 S10"
_cell_length_a 8.79624323
_cell_length_b 8.79624323
_cell_length_c 10.46906188
_cell_angle_alpha 81.91378841
_cell_angle_beta 81.91378841
_cell_angle_gamma 36.848718770000005
_sp... | data_image0
_chemical_formula_structural Ba4Na2Cu6S10Ba4Na2Cu6S10Ba4Na2Cu6S10Ba4Na2Cu6S10Ba4Na2Cu6S10Ba4Na2Cu6S10
_chemical_formula_sum "Ba24 Na12 Cu36 S60"
_cell_length_a 17.59248646
_cell_length_b 8.79624323
_cell_length_c 31.407185639999998
_cell_angle_alpha 81.91378841
_cell_... |
SuperCellAction | ae6a9679-d10a-48de-98ed-6b66c38979e6 | mp-2240134 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Ba2NdMgNbO6
_chemical_formula_sum "Ba2 Nd1 Mg1 Nb1 O6"
_cell_length_a 6.12345268
_cell_length_b 6.41740526
_cell_length_c 6.38935047
_cell_angle_alpha 59.65450238999999
_cell_angle_beta 61.36734736999999
_cell_angle_gamma 61.5040091... | data_image0
_chemical_formula_structural Ba2NdMgNbO6Ba2NdMgNbO6Ba2NdMgNbO6Ba2NdMgNbO6Ba2NdMgNbO6Ba2NdMgNbO6
_chemical_formula_sum "Ba12 Nd6 Mg6 Nb6 O36"
_cell_length_a 12.24690536
_cell_length_b 6.41740526
_cell_length_c 19.16805141
_cell_angle_alpha 59.65450238999999
_cell_angle... |
SuperCellAction | bfd7e66f-42a7-41ab-9395-d17070c1c2f3 | mp-28535 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Ca4Se6O16
_chemical_formula_sum "Ca4 Se6 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_group... | data_image0
_chemical_formula_structural Ca4Se6O16Ca4Se6O16
_chemical_formula_sum "Ca8 Se12 O32"
_cell_length_a 5.52447697
_cell_length_b 16.47937624
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_... |
SuperCellAction | 715b64ec-7bd2-4fbd-b9bc-d577d86586d7 | mp-755518 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Fe6O7F5
_chemical_formula_sum "Fe6 O7 F5"
_cell_length_a 5.650103
_cell_length_b 5.65500889
_cell_length_c 7.59812384
_cell_angle_alpha 69.71683941
_cell_angle_beta 69.82269299
_cell_angle_gamma 70.14977806
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Fe6O7F5Fe6O7F5Fe6O7F5Fe6O7F5
_chemical_formula_sum "Fe24 O28 F20"
_cell_length_a 5.650103
_cell_length_b 22.62003556
_cell_length_c 7.59812384
_cell_angle_alpha 69.71683941
_cell_angle_beta 69.82269299
_cell_angle_gamma 70.14977806
... |
SuperCellAction | 296e38c6-da32-40f5-b714-8465ce1cad37 | mp-558545 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural C8S4N12Cl12
_chemical_formula_sum "C8 S4 N12 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural C8S4N12Cl12C8S4N12Cl12C8S4N12Cl12C8S4N12Cl12C8S4N12Cl12C8S4N12Cl12C8S4N12Cl12C8S4N12Cl12
_chemical_formula_sum "C64 S32 N96 Cl96"
_cell_length_a 15.531842
_cell_length_b 33.304224
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_c... |
SuperCellAction | 7384bd8c-d1d8-4dbb-aed7-5415256c338d | mp-1035350 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Mg14CuSnO16
_chemical_formula_sum "Mg14 Cu1 Sn1 O16"
_cell_length_a 8.72234034
_cell_length_b 8.63741416
_cell_length_c 4.30772331
_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 Mg14CuSnO16Mg14CuSnO16Mg14CuSnO16Mg14CuSnO16Mg14CuSnO16Mg14CuSnO16
_chemical_formula_sum "Mg84 Cu6 Sn6 O96"
_cell_length_a 26.16702102
_cell_length_b 17.27482832
_cell_length_c 4.30772331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | 4330c77d-e92b-48a4-8467-7525042ac8f2 | mp-1212483 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28
_chemical_formula_sum "Hg128 P32 H32 N32 O224"
_cell_length_a 24.49773684
_cell_length_b 8.318202
_cell_length_c 38.70883628
_cell_angle_... |
SuperCellAction | 4c47b183-8561-49ea-8a1d-7d24eb4eb7e5 | mp-1095479 | Create a supercell with the size 2x2x1. | 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 Gd4S8Gd4S8Gd4S8Gd4S8
_chemical_formula_sum "Gd16 S32"
_cell_length_a 7.90220768
_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_a... |
SuperCellAction | 92b836b2-0c2f-4c7f-9c9e-99c7c02d4b95 | mp-556179 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Pr6Si4S16Cl2
_chemical_formula_sum "Pr6 Si4 S16 Cl2"
_cell_length_a 8.8060558
_cell_length_b 8.8060558
_cell_length_c 11.051096659999999
_cell_angle_alpha 83.11777061
_cell_angle_beta 83.11777061
_cell_angle_gamma 52.13035657
_spac... | data_image0
_chemical_formula_structural Pr6Si4S16Cl2Pr6Si4S16Cl2
_chemical_formula_sum "Pr12 Si8 S32 Cl4"
_cell_length_a 8.8060558
_cell_length_b 17.6121116
_cell_length_c 11.051096659999999
_cell_angle_alpha 83.11777061
_cell_angle_beta 83.11777061
_cell_angle_gamma 52.1... |
SuperCellAction | 4959d2f2-92bb-40bc-9ef4-59201960bc6f | mp-3276 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... | data_image0
_chemical_formula_structural Nb8Cr4Si10Nb8Cr4Si10
_chemical_formula_sum "Nb16 Cr8 Si20"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 18.77166416
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.544967... |
SuperCellAction | aca35002-0637-4917-b71e-dd6c1e7ae954 | mp-1194957 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Hg4Te8Xe6O8F52
_chemical_formula_sum "Hg4 Te8 Xe6 O8 F52"
_cell_length_a 18.60583
_cell_length_b 9.419066
_cell_length_c 10.24656959
_cell_angle_alpha 57.63678503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg4Te8Xe6O8F52Hg4Te8Xe6O8F52Hg4Te8Xe6O8F52
_chemical_formula_sum "Hg12 Te24 Xe18 O24 F156"
_cell_length_a 18.60583
_cell_length_b 9.419066
_cell_length_c 30.739708770000004
_cell_angle_alpha 57.636785030000006
_cell_angle_beta 90.0
_ce... |
SuperCellAction | de18c47c-35da-47e7-8696-b039dc50b426 | mp-818536 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Ce2Cr4O20
_chemical_formula_sum "Ce2 Cr4 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ce2Cr4O20Ce2Cr4O20Ce2Cr4O20Ce2Cr4O20Ce2Cr4O20Ce2Cr4O20Ce2Cr4O20Ce2Cr4O20
_chemical_formula_sum "Ce16 Cr32 O160"
_cell_length_a 21.843748
_cell_length_b 23.750044
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta ... |
SuperCellAction | cf5513d8-ec4d-428a-869c-e9afdb17d55d | mp-1020592 | Create a supercell with the size 3 by 1 by 1. | 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 Sr8Li4Si8N16O2Sr8Li4Si8N16O2Sr8Li4Si8N16O2
_chemical_formula_sum "Sr24 Li12 Si24 N48 O6"
_cell_length_a 28.122218999999998
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 80f8f933-b8f9-4a33-8432-92377003fc98 | mp-754378 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534081
_... | data_image0
_chemical_formula_structural Li2V6O8Li2V6O8Li2V6O8Li2V6O8Li2V6O8Li2V6O8Li2V6O8Li2V6O8
_chemical_formula_sum "Li16 V48 O64"
_cell_length_a 24.33190952
_cell_length_b 11.95552916
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 6... |
SuperCellAction | a24470ed-73b7-4ff6-974f-8b7f3ebec9e7 | mp-1031915 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural YMg6CdO8
_chemical_formula_sum "Y1 Mg6 Cd1 O8"
_cell_length_a 9.0489033
_cell_length_b 4.51849834
_cell_length_c 4.51849834
_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 YMg6CdO8YMg6CdO8
_chemical_formula_sum "Y2 Mg12 Cd2 O16"
_cell_length_a 9.0489033
_cell_length_b 9.03699668
_cell_length_c 4.51849834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 4e21ffb0-5415-409c-b943-57664875ad22 | mp-1518357 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... | data_image0
_chemical_formula_structural Eu2HfNbO6Eu2HfNbO6Eu2HfNbO6Eu2HfNbO6Eu2HfNbO6Eu2HfNbO6
_chemical_formula_sum "Eu12 Hf6 Nb6 O36"
_cell_length_a 5.7699676
_cell_length_b 11.53993426
_cell_length_c 17.30990937
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.9999820399... |
SuperCellAction | d82fc3d8-7bba-4564-92fd-0836cb8c4bd3 | mp-642735 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H8Pt2Rb4H8Pt2Rb4H8Pt2Rb4H8Pt2Rb4H8Pt2Rb4H8Pt2
_chemical_formula_sum "Rb24 H48 Pt12"
_cell_length_a 17.5855599
_cell_length_b 11.7237066
_cell_length_c 8.40442138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | d3b39665-a450-49e4-8e94-bd16e3abcca5 | mp-1033791 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Mg14CrCO16
_chemical_formula_sum "Mg14 Cr1 C1 O16"
_cell_length_a 8.49212571
_cell_length_b 8.49212571
_cell_length_c 4.29664522
_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 Mg14CrCO16Mg14CrCO16Mg14CrCO16Mg14CrCO16Mg14CrCO16Mg14CrCO16Mg14CrCO16Mg14CrCO16
_chemical_formula_sum "Mg112 Cr8 C8 O128"
_cell_length_a 16.98425142
_cell_length_b 16.98425142
_cell_length_c 8.59329044
_cell_angle_alpha 90.0
_cell_angle_b... |
SuperCellAction | 9b694204-bd9f-4a41-8c94-7244f11a80c6 | mp-1221478 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Na4Cd4Fe2P6O24
_chemical_formula_sum "Na4 Cd4 Fe2 P6 O24"
_cell_length_a 8.97639775
_cell_length_b 8.97639775
_cell_length_c 6.70029315
_cell_angle_alpha 72.96610006
_cell_angle_beta 72.96610006
_cell_angle_gamma 92.15005666
_space... | data_image0
_chemical_formula_structural Na4Cd4Fe2P6O24Na4Cd4Fe2P6O24Na4Cd4Fe2P6O24Na4Cd4Fe2P6O24Na4Cd4Fe2P6O24Na4Cd4Fe2P6O24Na4Cd4Fe2P6O24Na4Cd4Fe2P6O24
_chemical_formula_sum "Na32 Cd32 Fe16 P48 O192"
_cell_length_a 17.9527955
_cell_length_b 8.97639775
_cell_length_c 26.8011726
_ce... |
SuperCellAction | 4646b5e9-6a41-4309-8ba8-13df45b01cf5 | mp-1179989 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I4N16Pd2C8S8I4N16
_chemical_formula_sum "Pd4 C16 S16 I8 N32"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 23.31902962
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma... |
SuperCellAction | 969782ae-8606-4df1-bc78-828e4909a61a | mp-772024 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba12La4Br36Ba12La4Br36Ba12La4Br36Ba12La4Br36
_chemical_formula_sum "Ba48 La16 Br144"
_cell_length_a 15.077922
_cell_length_b 8.100884
_cell_length_c 63.07042314
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | cf5d06b3-82da-4992-99c9-84bdd044d332 | mp-756284 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12Li4Co4B4O12Li4Co4B4O12Li4Co4B4O12
_chemical_formula_sum "Li16 Co16 B16 O48"
_cell_length_a 3.11646909
_cell_length_b 36.62834336000001
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cel... |
SuperCellAction | d1cb1ed7-0ecc-40e9-8fbe-ef7f54dbed7a | mp-1026876 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Mg14CdCu
_chemical_formula_sum "Mg14 Cd1 Cu1"
_cell_length_a 6.31425202
_cell_length_b 6.33200746
_cell_length_c 10.06235057
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.09306793000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mg14CdCuMg14CdCuMg14CdCu
_chemical_formula_sum "Mg42 Cd3 Cu3"
_cell_length_a 6.31425202
_cell_length_b 6.33200746
_cell_length_c 30.18705171
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.09306793000002
_space_g... |
SuperCellAction | eb45252b-666e-4efd-80c5-bfc9a2aa334d | mp-1304002 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16
_chemical_formula_sum "Li64 Ni48 Bi16 O128"
_cell_length_a 12.0885802
_cell_length_b 10.53646859
_cell_length_c 24.174271239999996
_cell_angle_al... |
SuperCellAction | 31ff4df5-4571-40f5-8435-844c698ecb3f | mp-1518832 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24Ba4Na4Pr4Nb4O24Ba4Na4Pr4Nb4O24Ba4Na4Pr4Nb4O24Ba4Na4Pr4Nb4O24Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba24 Na24 Pr24 Nb24 O144"
_cell_length_a 25.91222646
_cell_length_b 17.22795656
_cell_length_c 8.61377572
_cell_angle_alpha 9... |
SuperCellAction | 93d3b868-5eee-4684-914c-cdbf0408cffe | mp-1220988 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Na2Tl6S4
_chemical_formula_sum "Na2 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_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 Na2Tl6S4Na2Tl6S4Na2Tl6S4Na2Tl6S4Na2Tl6S4Na2Tl6S4Na2Tl6S4Na2Tl6S4
_chemical_formula_sum "Na16 Tl48 S32"
_cell_length_a 4.293416
_cell_length_b 14.617016
_cell_length_c 49.50844
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 01babac2-f2e9-410f-91eb-325477ff64cd | mp-1028598 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Te6W4Se2
_chemical_formula_sum "Te6 W4 Se2"
_cell_length_a 3.49734781
_cell_length_b 3.49734781
_cell_length_c 39.674341
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999965
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Te6W4Se2Te6W4Se2
_chemical_formula_sum "Te12 W8 Se4"
_cell_length_a 6.99469562
_cell_length_b 3.49734781
_cell_length_c 39.674341
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999965
_space_group_name_H-M_alt ... |
SuperCellAction | c2be4b16-db23-4097-bc73-87c482b6a301 | mp-1319322 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Co6Te2O16
_chemical_formula_sum "Co6 Te2 O16"
_cell_length_a 5.90144483
_cell_length_b 6.06973568
_cell_length_c 10.66845073
_cell_angle_alpha 106.47630741
_cell_angle_beta 106.81744562
_cell_angle_gamma 59.1889205
_space_group_nam... | data_image0
_chemical_formula_structural Co6Te2O16Co6Te2O16Co6Te2O16Co6Te2O16
_chemical_formula_sum "Co24 Te8 O64"
_cell_length_a 23.60577932
_cell_length_b 6.06973568
_cell_length_c 10.66845073
_cell_angle_alpha 106.47630741
_cell_angle_beta 106.81744562
_cell_angle_gamma ... |
SuperCellAction | 47405853-1b9e-41ee-a481-56eb28e76aa6 | mp-531566 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn14O48La16Mn14O48La16Mn14O48La16Mn14O48La16Mn14O48La16Mn14O48
_chemical_formula_sum "La96 Mn84 O288"
_cell_length_a 23.661957
_cell_length_b 9.468976570000002
_cell_length_c 29.60021608
_cell_angle_alpha 90.67454403
_cell_angle_beta ... |
SuperCellAction | 77fe2661-d55f-45a5-8d06-dc727012e080 | mp-1211316 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural K2V4Ag2O12
_chemical_formula_sum "K2 V4 Ag2 O12"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group_na... | data_image0
_chemical_formula_structural K2V4Ag2O12K2V4Ag2O12K2V4Ag2O12
_chemical_formula_sum "K6 V12 Ag6 O36"
_cell_length_a 7.44997499
_cell_length_b 22.34992497
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.513... |
SuperCellAction | bd6dc06e-10c8-4c34-aabe-5a320f804c75 | mp-2229628 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural MgCo4OF11
_chemical_formula_sum "Mg1 Co4 O1 F11"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_group_nam... | data_image0
_chemical_formula_structural MgCo4OF11MgCo4OF11MgCo4OF11MgCo4OF11MgCo4OF11MgCo4OF11MgCo4OF11MgCo4OF11
_chemical_formula_sum "Mg8 Co32 O8 F88"
_cell_length_a 14.7161821
_cell_length_b 5.22556949
_cell_length_c 22.21195868
_cell_angle_alpha 89.62041699
_cell_angle_beta ... |
SuperCellAction | 4dad100c-b71c-4b5f-b038-20e10f5945ca | mp-19484 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 Ba4Ca4V8O28Ba4Ca4V8O28
_chemical_formula_sum "Ba8 Ca8 V16 O56"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 31.426934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | a11fc920-ccb6-4dac-abd8-4002c8d78fd1 | mp-1407867 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Y2Sn4O8
_chemical_formula_sum "Y2 Sn4 O8"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.38341797
... | data_image0
_chemical_formula_structural Y2Sn4O8Y2Sn4O8Y2Sn4O8Y2Sn4O8
_chemical_formula_sum "Y8 Sn16 O32"
_cell_length_a 27.44822908
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angl... |
SuperCellAction | 1b752063-b7d8-457c-94a0-035b01f02b46 | mp-1193265 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na12Sb4Se12Na12Sb4Se12
_chemical_formula_sum "Na24 Sb8 Se24"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 17.98447822
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | 9e3b09aa-6dde-4c1e-bd06-f75ec8dc3492 | mp-1046251 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16Ta4Zn4W2O16Ta4Zn4W2O16
_chemical_formula_sum "Ta12 Zn12 W6 O48"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 30.7806249
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma ... |
SuperCellAction | e2805676-651e-45a4-9b9f-9a1ba1cca2a6 | mp-849781 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 5.368105
_cell_length_b 7.887216
_cell_length_c 8.49714963
_cell_angle_alpha 74.9934809
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Co4Si4O16Li4Co4Si4O16Li4Co4Si4O16Li4Co4Si4O16Li4Co4Si4O16Li4Co4Si4O16
_chemical_formula_sum "Li24 Co24 Si24 O96"
_cell_length_a 10.73621
_cell_length_b 7.887216
_cell_length_c 25.491448889999997
_cell_angle_alpha 74.9934809
_cell_angle_... |
SuperCellAction | 72cb423c-39d8-42b4-a1ba-62a34b499b15 | mp-867658 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42
_chemical_formula_sum "La84 Mn78 O252"
_cell_length_a 19.36171958
_cell_length_b 29.042579370000002
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_an... |
SuperCellAction | 7da1483c-bd30-4b49-bc47-32c922d12e48 | mp-1368020 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Ca4Cu2W2O12
_chemical_formula_sum "Ca4 Cu2 W2 O12"
_cell_length_a 5.721609
_cell_length_b 5.509642
_cell_length_c 9.40067408
_cell_angle_alpha 54.37303537
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ca4Cu2W2O12Ca4Cu2W2O12Ca4Cu2W2O12Ca4Cu2W2O12Ca4Cu2W2O12Ca4Cu2W2O12Ca4Cu2W2O12Ca4Cu2W2O12
_chemical_formula_sum "Ca32 Cu16 W16 O96"
_cell_length_a 11.443218
_cell_length_b 11.019284
_cell_length_c 18.80134816
_cell_angle_alpha 54.37303537
_... |
SuperCellAction | 4d159474-574a-411c-9045-dd67f23310d6 | mp-1176929 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6P16O58Li12V6P16O58Li12V6P16O58Li12V6P16O58Li12V6P16O58Li12V6P16O58
_chemical_formula_sum "Li72 V36 P96 O348"
_cell_length_a 9.79348461
_cell_length_b 29.387457480000002
_cell_length_c 28.13152898
_cell_angle_alpha 90.95621213000001
_... |
SuperCellAction | 0bf42835-2bcd-43ca-af57-92b2b1c7be76 | mp-28301 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Os8Br32
_chemical_formula_sum "Os8 Br32"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_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 Os8Br32Os8Br32
_chemical_formula_sum "Os16 Br64"
_cell_length_a 12.76414406
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SuperCellAction | c3d2f1e7-ff1f-4323-b4de-6f6ce8e904af | mp-19440 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Li4V4O12
_chemical_formula_sum "Li4 V4 O12"
_cell_length_a 7.64851181
_cell_length_b 7.6485118100000005
_cell_length_c 5.79759828
_cell_angle_alpha 68.56626188
_cell_angle_beta 68.56626188
_cell_angle_gamma 83.53101445
_space_group... | data_image0
_chemical_formula_structural Li4V4O12Li4V4O12Li4V4O12Li4V4O12Li4V4O12Li4V4O12Li4V4O12Li4V4O12
_chemical_formula_sum "Li32 V32 O96"
_cell_length_a 30.59404724
_cell_length_b 15.297023620000001
_cell_length_c 5.79759828
_cell_angle_alpha 68.56626188
_cell_angle_beta ... |
SuperCellAction | 596936d7-6fd3-4e42-a4e4-a004c16013e0 | mp-30925 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural LaN3O6
_chemical_formula_sum "La1 N3 O6"
_cell_length_a 6.23070719
_cell_length_b 6.23070719
_cell_length_c 6.23070647
_cell_angle_alpha 114.82629154999998
_cell_angle_beta 114.82629154999998
_cell_angle_gamma 114.82628240000001
_s... | data_image0
_chemical_formula_structural LaN3O6LaN3O6LaN3O6
_chemical_formula_sum "La3 N9 O18"
_cell_length_a 18.69212157
_cell_length_b 6.23070719
_cell_length_c 6.23070647
_cell_angle_alpha 114.82629154999998
_cell_angle_beta 114.82629154999998
_cell_angle_gamma 114.8262... |
SuperCellAction | d5a37cfc-f4bd-48e4-a966-2c71849dbc72 | mp-560603 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Mg2Si10O24Na4Mg2Si10O24Na4Mg2Si10O24
_chemical_formula_sum "Na12 Mg6 Si30 O72"
_cell_length_a 8.737959
_cell_length_b 16.00128
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | f3baa95b-b738-4788-8582-bbae278f1d96 | mp-767219 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Li8Ti8Mn2Co8O36
_chemical_formula_sum "Li8 Ti8 Mn2 Co8 O36"
_cell_length_a 2.88784
_cell_length_b 9.009081
_cell_length_c 24.670932
_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 Li8Ti8Mn2Co8O36Li8Ti8Mn2Co8O36Li8Ti8Mn2Co8O36Li8Ti8Mn2Co8O36Li8Ti8Mn2Co8O36Li8Ti8Mn2Co8O36Li8Ti8Mn2Co8O36Li8Ti8Mn2Co8O36
_chemical_formula_sum "Li64 Ti64 Mn16 Co64 O288"
_cell_length_a 5.77568
_cell_length_b 36.036324
_cell_length_c 24.670932... |
SuperCellAction | 9eba4f8d-a06c-4fba-a2fb-2dddf683e4f2 | mp-1112589 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs2HgPdF6Cs2HgPdF6Cs2HgPdF6Cs2HgPdF6Cs2HgPdF6Cs2HgPdF6Cs2HgPdF6Cs2HgPdF6
_chemical_formula_sum "Cs16 Hg8 Pd8 F48"
_cell_length_a 12.90835874
_cell_length_b 12.908358740000002
_cell_length_c 12.908358739999999
_cell_angle_alpha 59.999999999... |
SuperCellAction | dcb91adc-773b-4362-8fd6-bd39fdaff1ba | mp-1204890 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... | data_image0
_chemical_formula_structural Zr4N8O36Zr4N8O36Zr4N8O36
_chemical_formula_sum "Zr12 N24 O108"
_cell_length_a 24.65810775
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259... |
SuperCellAction | d3c247c2-4083-4a99-96b4-4eebfe1d9f36 | mp-1111032 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Rb2HgIrF6
_chemical_formula_sum "Rb2 Hg1 Ir1 F6"
_cell_length_a 6.86860193
_cell_length_b 6.8686019300000005
_cell_length_c 6.86860193
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... | data_image0
_chemical_formula_structural Rb2HgIrF6Rb2HgIrF6
_chemical_formula_sum "Rb4 Hg2 Ir2 F12"
_cell_length_a 13.73720386
_cell_length_b 6.8686019300000005
_cell_length_c 6.86860193
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
SuperCellAction | dd399c3c-90e9-45f6-aa10-89fe00da7298 | mp-1028424 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CsMg14CoCsMg14CoCsMg14CoCsMg14CoCsMg14CoCsMg14CoCsMg14CoCsMg14Co
_chemical_formula_sum "Cs8 Mg112 Co8"
_cell_length_a 26.23040952
_cell_length_b 12.66976618
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 4ab9ff8a-fc59-4a1a-81ec-26be85b18c51 | mp-2218964 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural MgMn3TeO8
_chemical_formula_sum "Mg1 Mn3 Te1 O8"
_cell_length_a 6.20133901
_cell_length_b 6.36047727
_cell_length_c 6.2012102
_cell_angle_alpha 59.88171875999999
_cell_angle_beta 58.58960310999999
_cell_angle_gamma 59.88253086999999... | data_image0
_chemical_formula_structural MgMn3TeO8MgMn3TeO8
_chemical_formula_sum "Mg2 Mn6 Te2 O16"
_cell_length_a 6.20133901
_cell_length_b 12.72095454
_cell_length_c 6.2012102
_cell_angle_alpha 59.88171875999999
_cell_angle_beta 58.58960310999999
_cell_angle_gamma 59.882... |
SuperCellAction | def3e4eb-d9cd-4bfa-abf8-aa6033d12189 | mp-1173973 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... | data_image0
_chemical_formula_structural Li5Mn2CoO8Li5Mn2CoO8Li5Mn2CoO8Li5Mn2CoO8
_chemical_formula_sum "Li20 Mn8 Co4 O32"
_cell_length_a 5.13395128
_cell_length_b 23.484945879999998
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_c... |
SuperCellAction | 36217011-dc80-4ab4-a9cb-6f7e999be95b | mp-850998 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... | data_image0
_chemical_formula_structural Li4Mn6B6O18Li4Mn6B6O18Li4Mn6B6O18Li4Mn6B6O18Li4Mn6B6O18Li4Mn6B6O18Li4Mn6B6O18Li4Mn6B6O18
_chemical_formula_sum "Li32 Mn48 B48 O144"
_cell_length_a 21.197952
_cell_length_b 11.68414004
_cell_length_c 13.32200713
_cell_angle_alpha 96.9685135... |
SuperCellAction | c24958a4-a740-4e4a-a405-46d9205e6e19 | mp-1204232 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Na9U3Si4O20F2
_chemical_formula_sum "Na9 U3 Si4 O20 F2"
_cell_length_a 5.946702
_cell_length_b 7.4835360500000006
_cell_length_c 12.04553321
_cell_angle_alpha 89.95161405
_cell_angle_beta 84.72313458999999
_cell_angle_gamma 89.99330... | data_image0
_chemical_formula_structural Na9U3Si4O20F2Na9U3Si4O20F2Na9U3Si4O20F2Na9U3Si4O20F2Na9U3Si4O20F2Na9U3Si4O20F2
_chemical_formula_sum "Na54 U18 Si24 O120 F12"
_cell_length_a 5.946702
_cell_length_b 14.967072100000001
_cell_length_c 36.13659963
_cell_angle_alpha 89.9516140... |
SuperCellAction | 5f8f96df-6914-4a49-a7de-71f621b20aa8 | mp-1196102 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Fe2Ge6H8Pb2O20
_chemical_formula_sum "Fe2 Ge6 H8 Pb2 O20"
_cell_length_a 5.48014973
_cell_length_b 6.0174908
_cell_length_c 13.750376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.16266634000002
_space_group_na... | data_image0
_chemical_formula_structural Fe2Ge6H8Pb2O20Fe2Ge6H8Pb2O20Fe2Ge6H8Pb2O20Fe2Ge6H8Pb2O20Fe2Ge6H8Pb2O20Fe2Ge6H8Pb2O20Fe2Ge6H8Pb2O20Fe2Ge6H8Pb2O20
_chemical_formula_sum "Fe16 Ge48 H64 Pb16 O160"
_cell_length_a 21.92059892
_cell_length_b 12.0349816
_cell_length_c 13.750376
_ce... |
SuperCellAction | f3bebdbf-b79f-4f25-977f-0818720c471c | mp-29075 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi10Cl24Ga6Bi10Cl24Ga6Bi10Cl24Ga6Bi10Cl24
_chemical_formula_sum "Ga24 Bi40 Cl96"
_cell_length_a 48.88614604
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_... |
SuperCellAction | 9830dac2-5109-4fcb-8a26-b2d9bb82d251 | mp-30437 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Ca4Sn4Pd4
_chemical_formula_sum "Ca4 Sn4 Pd4"
_cell_length_a 4.63728853
_cell_length_b 7.35881275
_cell_length_c 7.98914883
_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 Ca4Sn4Pd4Ca4Sn4Pd4Ca4Sn4Pd4Ca4Sn4Pd4Ca4Sn4Pd4Ca4Sn4Pd4Ca4Sn4Pd4Ca4Sn4Pd4
_chemical_formula_sum "Ca32 Sn32 Pd32"
_cell_length_a 9.27457706
_cell_length_b 29.435251
_cell_length_c 7.98914883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | ff224cf4-76aa-43c5-8925-2c5ff3f553d1 | mp-1214585 | Create a supercell with the size 1 by 4 by 1. | 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 | 66676547-a728-41cc-8309-d0ceb9d62373 | mp-1026451 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Mg14BW
_chemical_formula_sum "Mg14 B1 W1"
_cell_length_a 6.1799333
_cell_length_b 6.179932829999999
_cell_length_c 9.7499251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000250999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mg14BWMg14BWMg14BWMg14BW
_chemical_formula_sum "Mg56 B4 W4"
_cell_length_a 12.3598666
_cell_length_b 12.359865659999999
_cell_length_c 9.7499251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000250999999
_spa... |
SuperCellAction | 7a0f52a0-9582-44ee-b6b3-978871dbb24a | mp-1522401 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Sr2GdWO6
_chemical_formula_sum "Sr2 Gd1 W1 O6"
_cell_length_a 5.98526548
_cell_length_b 5.98526548
_cell_length_c 5.98526548
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Sr2GdWO6Sr2GdWO6Sr2GdWO6Sr2GdWO6Sr2GdWO6Sr2GdWO6Sr2GdWO6Sr2GdWO6
_chemical_formula_sum "Sr16 Gd8 W8 O48"
_cell_length_a 11.97053096
_cell_length_b 11.97053096
_cell_length_c 11.97053096
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | 6a6507b0-23d9-46dc-8cbd-8bc37a2b5fea | mp-554835 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural K4Zr4V4F28
_chemical_formula_sum "K4 Zr4 V4 F28"
_cell_length_a 6.615048
_cell_length_b 8.076241
_cell_length_c 11.349502
_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 K4Zr4V4F28K4Zr4V4F28K4Zr4V4F28K4Zr4V4F28K4Zr4V4F28K4Zr4V4F28
_chemical_formula_sum "K24 Zr24 V24 F168"
_cell_length_a 13.230096
_cell_length_b 24.228723
_cell_length_c 11.349502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | b77b884f-1c97-44fc-a2f3-6659801e00f5 | mp-1220551 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... | data_image0
_chemical_formula_structural Nb4AgBi5O18Nb4AgBi5O18Nb4AgBi5O18Nb4AgBi5O18
_chemical_formula_sum "Nb16 Ag4 Bi20 O72"
_cell_length_a 25.8739954
_cell_length_b 25.8739954
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle... |
SuperCellAction | 5261cead-0b6a-4935-9375-c6623ff234de | mp-11465 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Mg10Hg6
_chemical_formula_sum "Mg10 Hg6"
_cell_length_a 8.22667506
_cell_length_b 8.22667412
_cell_length_c 5.86925634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000375999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg10Hg6Mg10Hg6Mg10Hg6Mg10Hg6Mg10Hg6Mg10Hg6Mg10Hg6Mg10Hg6
_chemical_formula_sum "Mg80 Hg48"
_cell_length_a 16.45335012
_cell_length_b 32.90669648
_cell_length_c 5.86925634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 2d36ab62-36e8-40fb-a31e-9a3b315d1eb8 | mp-1246013 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V2C3N6V2C3N6V2C3N6V2C3N6V2C3N6V2C3N6
_chemical_formula_sum "V12 C18 N36"
_cell_length_a 8.61995063
_cell_length_b 9.10050903
_cell_length_c 9.9316322
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.8655... |
SuperCellAction | 99911ba3-7100-4a9a-86e2-36f74c6ea548 | mp-560635 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Cs8Mo4S16
_chemical_formula_sum "Cs8 Mo4 S16"
_cell_length_a 7.30251068
_cell_length_b 10.19212873
_cell_length_c 12.9339905
_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 Cs8Mo4S16Cs8Mo4S16Cs8Mo4S16Cs8Mo4S16Cs8Mo4S16Cs8Mo4S16
_chemical_formula_sum "Cs48 Mo24 S96"
_cell_length_a 14.60502136
_cell_length_b 30.57638619
_cell_length_c 12.9339905
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | d93721dd-dab7-486e-84b6-17636dc7b4a4 | mp-697850 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Li8Cr4P16O48
_chemical_formula_sum "Li8 Cr4 P16 O48"
_cell_length_a 10.159209
_cell_length_b 9.40003
_cell_length_c 9.47136605
_cell_angle_alpha 88.12112881
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Cr4P16O48Li8Cr4P16O48Li8Cr4P16O48Li8Cr4P16O48
_chemical_formula_sum "Li32 Cr16 P64 O192"
_cell_length_a 40.636836
_cell_length_b 9.40003
_cell_length_c 9.47136605
_cell_angle_alpha 88.12112881
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 01dc0b0c-0f9b-4053-86a4-8d45113a5edb | mp-756311 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Li4Fe4Sn4O16
_chemical_formula_sum "Li4 Fe4 Sn4 O16"
_cell_length_a 6.06921841
_cell_length_b 6.316308
_cell_length_c 8.747379999999998
_cell_angle_alpha 90.00000655
_cell_angle_beta 90.00000292
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Li4Fe4Sn4O16Li4Fe4Sn4O16Li4Fe4Sn4O16Li4Fe4Sn4O16Li4Fe4Sn4O16Li4Fe4Sn4O16Li4Fe4Sn4O16Li4Fe4Sn4O16
_chemical_formula_sum "Li32 Fe32 Sn32 O128"
_cell_length_a 12.13843682
_cell_length_b 25.265232
_cell_length_c 8.747379999999998
_cell_angle_alph... |
SuperCellAction | b0ee9aa6-8334-47b0-b454-57d15c5bfcbc | mp-1103771 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Ba2Li4Mn2V4O16
_chemical_formula_sum "Ba2 Li4 Mn2 V4 O16"
_cell_length_a 5.35145904
_cell_length_b 9.1378704
_cell_length_c 9.12853731
_cell_angle_alpha 61.04528758000001
_cell_angle_beta 72.95561526
_cell_angle_gamma 73.00019055999... | data_image0
_chemical_formula_structural Ba2Li4Mn2V4O16Ba2Li4Mn2V4O16
_chemical_formula_sum "Ba4 Li8 Mn4 V8 O32"
_cell_length_a 5.35145904
_cell_length_b 18.2757408
_cell_length_c 9.12853731
_cell_angle_alpha 61.04528758000001
_cell_angle_beta 72.95561526
_cell_angle_gamma ... |
SuperCellAction | 6efa103d-47b4-40d7-86ff-81cbf6d83acb | mp-753244 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2Mn4F18Li2Mn4F18Li2Mn4F18Li2Mn4F18Li2Mn4F18Li2Mn4F18Li2Mn4F18Li2Mn4F18
_chemical_formula_sum "Li16 Mn32 F144"
_cell_length_a 10.444682
_cell_length_b 5.26049537
_cell_length_c 58.39272612
_cell_angle_alpha 92.04736841
_cell_angle_beta ... |
SuperCellAction | 016b3369-995a-42ee-87f9-8a6060d4763c | mp-1666930 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... | data_image0
_chemical_formula_structural Li10Cr4Co6O20Li10Cr4Co6O20Li10Cr4Co6O20Li10Cr4Co6O20Li10Cr4Co6O20Li10Cr4Co6O20
_chemical_formula_sum "Li60 Cr24 Co36 O120"
_cell_length_a 15.2287194
_cell_length_b 7.80439641
_cell_length_c 20.319803779999997
_cell_angle_alpha 109.30855762... |
SuperCellAction | a52fb547-3aac-48ae-b42e-7fe176b97612 | mp-1228395 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Ba6Sm3AlCu8O20
_chemical_formula_sum "Ba6 Sm3 Al1 Cu8 O20"
_cell_length_a 5.546785
_cell_length_b 8.674801310000001
_cell_length_c 12.67449835
_cell_angle_alpha 74.32509264
_cell_angle_beta 77.78694691
_cell_angle_gamma 73.28461105
... | data_image0
_chemical_formula_structural Ba6Sm3AlCu8O20Ba6Sm3AlCu8O20Ba6Sm3AlCu8O20Ba6Sm3AlCu8O20
_chemical_formula_sum "Ba24 Sm12 Al4 Cu32 O80"
_cell_length_a 5.546785
_cell_length_b 8.674801310000001
_cell_length_c 50.6979934
_cell_angle_alpha 74.32509264
_cell_angle_beta 7... |
SuperCellAction | dbd3d0f7-2377-4c2b-9b78-89aa3055d2df | mp-1247447 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... | data_image0
_chemical_formula_structural Mg2Sc3MnS8Mg2Sc3MnS8Mg2Sc3MnS8Mg2Sc3MnS8Mg2Sc3MnS8Mg2Sc3MnS8Mg2Sc3MnS8Mg2Sc3MnS8
_chemical_formula_sum "Mg16 Sc24 Mn8 S64"
_cell_length_a 15.05691534
_cell_length_b 7.47838708
_cell_length_c 30.13069684
_cell_angle_alpha 59.84947479
_cell_... |
SuperCellAction | 8aa57b91-606c-4762-b391-cb1da699b8eb | mp-1176871 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58
_chemical_formula_sum "Li112 V48 P128 O464"
_cell_length_a 19.71579688
_cell_length_b 19.7044232
_cell_length_c 27.84249292
_cell_angle_alpha ... |
SuperCellAction | ba687d45-dadc-4c80-982f-cdf98a2d2072 | mp-572465 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24
_chemical_formula_sum "Cr16 Cu16 P32 S96"
_cell_length_a 41.512052
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 05dc7d22-5997-418b-a8ed-3f71cdfdb779 | mp-1233509 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural CaSm4Tm4O12CaSm4Tm4O12
_chemical_formula_sum "Ca2 Sm8 Tm8 O24"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 11.74564724
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 1e02d8e2-23e5-4d9f-96a4-3d4c2a6e9abf | mp-1209044 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Sc20Sb12
_chemical_formula_sum "Sc20 Sb12"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sc20Sb12Sc20Sb12Sc20Sb12Sc20Sb12Sc20Sb12Sc20Sb12Sc20Sb12Sc20Sb12
_chemical_formula_sum "Sc160 Sb96"
_cell_length_a 7.61616863
_cell_length_b 35.05657864
_cell_length_c 22.35886946
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_ce... |
SuperCellAction | 1fd28e07-10ee-4f89-8212-b8612afbccc8 | mp-13602 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd12As8O32Cd12As8O32Cd12As8O32Cd12As8O32Cd12As8O32Cd12As8O32
_chemical_formula_sum "Cd72 As48 O192"
_cell_length_a 24.15992864
_cell_length_b 6.65751238
_cell_length_c 27.866417369999997
_cell_angle_alpha 81.67061731000001
_cell_angle_beta... |
SuperCellAction | bae63d6b-e0ba-4e1a-8fd7-9cc84840226f | mp-1076627 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20Sr8Ti4Mn4O20
_chemical_formula_sum "Sr16 Ti8 Mn8 O40"
_cell_length_a 5.62529
_cell_length_b 17.84984268
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.369... |
SuperCellAction | faa2a0f4-b5f4-4d66-b5a3-aed713d11e17 | mp-1173893 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_group_n... | data_image0
_chemical_formula_structural Li4Mn2Co2O8Li4Mn2Co2O8
_chemical_formula_sum "Li8 Mn4 Co4 O16"
_cell_length_a 2.920526
_cell_length_b 13.21475298
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_... |
SuperCellAction | 6072a742-18fc-4d39-b411-275458cbf30b | mp-559163 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4As8O28K4Fe4As8O28K4Fe4As8O28K4Fe4As8O28
_chemical_formula_sum "K16 Fe16 As32 O112"
_cell_length_a 15.660646
_cell_length_b 17.16546136
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cel... |
SuperCellAction | 482ec311-d4ec-4b1e-bbe7-331b0762359d | mp-1233561 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.368... | data_image0
_chemical_formula_structural MgCo4P8O28MgCo4P8O28
_chemical_formula_sum "Mg2 Co8 P16 O56"
_cell_length_a 13.67668022
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gam... |
SuperCellAction | 9edfd872-022e-48a9-aff1-c6161a8f26fe | mp-27309 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural V8F40
_chemical_formula_sum "V8 F40"
_cell_length_a 5.39836063
_cell_length_b 7.402808
_cell_length_c 16.08718786
_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 V8F40V8F40V8F40V8F40
_chemical_formula_sum "V32 F160"
_cell_length_a 21.59344252
_cell_length_b 7.402808
_cell_length_c 16.08718786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SuperCellAction | 1af85d80-622c-417b-8dd4-9f353cff64d2 | mp-690556 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Ca2La2Mn2Ru2O12
_chemical_formula_sum "Ca2 La2 Mn2 Ru2 O12"
_cell_length_a 5.716248
_cell_length_b 5.559046
_cell_length_c 9.66349457
_cell_angle_alpha 55.05739802000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Ca2La2Mn2Ru2O12Ca2La2Mn2Ru2O12
_chemical_formula_sum "Ca4 La4 Mn4 Ru4 O24"
_cell_length_a 5.716248
_cell_length_b 11.118092
_cell_length_c 9.66349457
_cell_angle_alpha 55.05739802000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | f6acec76-73af-4042-a2e4-3b114364cfe2 | mp-1029550 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Ca8Cr4N12
_chemical_formula_sum "Ca8 Cr4 N12"
_cell_length_a 5.88679425
_cell_length_b 5.88679425
_cell_length_c 11.61366427
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 124.75774528
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca8Cr4N12Ca8Cr4N12Ca8Cr4N12Ca8Cr4N12Ca8Cr4N12Ca8Cr4N12
_chemical_formula_sum "Ca48 Cr24 N72"
_cell_length_a 17.66038275
_cell_length_b 11.7735885
_cell_length_c 11.61366427
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | a04cc58c-3c0d-418a-aa45-a40652944604 | mp-1040209 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural KMg30GaO32
_chemical_formula_sum "K1 Mg30 Ga1 O32"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_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 KMg30GaO32KMg30GaO32KMg30GaO32KMg30GaO32KMg30GaO32KMg30GaO32
_chemical_formula_sum "K6 Mg180 Ga6 O192"
_cell_length_a 17.21363
_cell_length_b 25.820445
_cell_length_c 8.552012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 881ff41d-9479-49a5-b03f-98d12c9710cb | mp-1228355 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_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 Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba64 Sn16 Ge32 S128 Br32"
_cell_length_a 9.107169
_cell_length_b 18.58556
_cell_length_c 48.434612... |
SuperCellAction | d1679437-8ab6-4d49-9931-3e02f6020bbb | mp-850934 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Fe6O11F
_chemical_formula_sum "Fe6 O11 F1"
_cell_length_a 4.633818
_cell_length_b 5.50847985
_cell_length_c 7.55472791
_cell_angle_alpha 84.91090458999999
_cell_angle_beta 89.07644466999999
_cell_angle_gamma 88.78384201
_space_grou... | data_image0
_chemical_formula_structural Fe6O11FFe6O11FFe6O11FFe6O11FFe6O11FFe6O11FFe6O11FFe6O11F
_chemical_formula_sum "Fe48 O88 F8"
_cell_length_a 18.535272
_cell_length_b 11.0169597
_cell_length_c 7.55472791
_cell_angle_alpha 84.91090458999999
_cell_angle_beta 89.076444669... |
SuperCellAction | a005b08b-f2c6-4372-8ff0-ceb3c834b46f | mp-26228 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O28V4P8O28V4P8O28
_chemical_formula_sum "V12 P24 O84"
_cell_length_a 6.29171824
_cell_length_b 18.87515472
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma ... |
SuperCellAction | cea95edc-6ea9-4dea-9e11-a40a8f54fb66 | mp-568136 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br18Rb6V6Br18Rb6V6Br18
_chemical_formula_sum "Rb18 V18 Br54"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 19.37502114
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamm... |
SuperCellAction | b3d9933b-6bbf-499a-988b-c104b100224f | mp-1193101 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Sr6Mn6O18
_chemical_formula_sum "Sr6 Mn6 O18"
_cell_length_a 5.42140775
_cell_length_b 5.42140784
_cell_length_c 13.37753335
_cell_angle_alpha 89.99999897
_cell_angle_beta 90.0000015
_cell_angle_gamma 119.99995005
_space_group_name... | data_image0
_chemical_formula_structural Sr6Mn6O18Sr6Mn6O18Sr6Mn6O18Sr6Mn6O18Sr6Mn6O18Sr6Mn6O18
_chemical_formula_sum "Sr36 Mn36 O108"
_cell_length_a 16.26422325
_cell_length_b 10.84281568
_cell_length_c 13.37753335
_cell_angle_alpha 89.99999897
_cell_angle_beta 90.0000015
_c... |
SuperCellAction | 7b978740-667b-4f1c-9e17-51b912343258 | mp-755554 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Fe2F8Li2Fe2F8Li2Fe2F8Li2Fe2F8
_chemical_formula_sum "Li8 Fe8 F32"
_cell_length_a 9.17971494
_cell_length_b 11.073006
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | 7d567dab-7b69-4582-a57a-7432175e50ed | mp-754851 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Li8Co4Sn4O16
_chemical_formula_sum "Li8 Co4 Sn4 O16"
_cell_length_a 5.96131296
_cell_length_b 8.06893522
_cell_length_c 8.06876536
_cell_angle_alpha 111.35697518
_cell_angle_beta 68.32025619
_cell_angle_gamma 111.68295944000002
_sp... | data_image0
_chemical_formula_structural Li8Co4Sn4O16Li8Co4Sn4O16Li8Co4Sn4O16Li8Co4Sn4O16Li8Co4Sn4O16Li8Co4Sn4O16
_chemical_formula_sum "Li48 Co24 Sn24 O96"
_cell_length_a 17.88393888
_cell_length_b 16.13787044
_cell_length_c 8.06876536
_cell_angle_alpha 111.35697518
_cell_angle_... |
SuperCellAction | 4fb26ece-49d5-456a-a24d-35a870d975d2 | mp-558289 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural U4Ag8Se8O32
_chemical_formula_sum "U4 Ag8 Se8 O32"
_cell_length_a 6.633157
_cell_length_b 5.998611
_cell_length_c 21.68985918
_cell_angle_alpha 80.49377908
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U4Ag8Se8O32U4Ag8Se8O32U4Ag8Se8O32U4Ag8Se8O32U4Ag8Se8O32U4Ag8Se8O32U4Ag8Se8O32U4Ag8Se8O32
_chemical_formula_sum "U32 Ag64 Se64 O256"
_cell_length_a 13.266314
_cell_length_b 11.997222
_cell_length_c 43.37971836
_cell_angle_alpha 80.49377908
... |
SuperCellAction | 12955bb9-f628-4ffb-b62c-b3184ffa8624 | mp-705637 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... | data_image0
_chemical_formula_structural Ni16P16O64Ni16P16O64Ni16P16O64Ni16P16O64Ni16P16O64Ni16P16O64
_chemical_formula_sum "Ni96 P96 O384"
_cell_length_a 10.05901078
_cell_length_b 30.17703234
_cell_length_c 34.65612888
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719... |
SuperCellAction | 0ef3ad2b-98f4-4ec6-af67-510d91a6c723 | mp-1191086 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7
_chemical_formula_sum "Nd16 Mn24 Cu72 P56"
_cell_length_a 38.08811496
_cell_length_b 9.522028740000001
_cell_length_c 7.653228
_cell_angle_alpha 90.0
... |
SuperCellAction | 536920cb-f05b-42e5-ac72-3d3559fd0c67 | mp-30385 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ho8Au4Ho8Au4Ho8Au4Ho8Au4Ho8Au4Ho8Au4Ho8Au4Ho8Au4
_chemical_formula_sum "Ho64 Au32"
_cell_length_a 4.92128578
_cell_length_b 28.20422452
_cell_length_c 17.64657964
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.000... |
SuperCellAction | fe0767fa-9c4f-46df-8cf9-6f7a8eae598b | mp-735027 | Create a supercell with the size 1x1x2. | 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 V4S8N4O36V4S8N4O36
_chemical_formula_sum "V8 S16 N8 O72"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 34.85944
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | d2bd4a1b-058e-41cc-a943-d3d2ccee453f | mp-1239253 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural NbCr3Ag2S8
_chemical_formula_sum "Nb1 Cr3 Ag2 S8"
_cell_length_a 7.21965027
_cell_length_b 7.21965027
_cell_length_c 7.28202321
_cell_angle_alpha 60.76293235000001
_cell_angle_beta 60.76293234999999
_cell_angle_gamma 60.876866499999... | data_image0
_chemical_formula_structural NbCr3Ag2S8NbCr3Ag2S8NbCr3Ag2S8
_chemical_formula_sum "Nb3 Cr9 Ag6 S24"
_cell_length_a 7.21965027
_cell_length_b 21.65895081
_cell_length_c 7.28202321
_cell_angle_alpha 60.76293234999999
_cell_angle_beta 60.76293234999999
_cell_angle_ga... |
SuperCellAction | 9c3b26b5-8258-4a72-8bf0-1e015f59064e | mp-776267 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16Li4Mn3Cr3W2O16Li4Mn3Cr3W2O16
_chemical_formula_sum "Li12 Mn9 Cr9 W6 O48"
_cell_length_a 6.03107707
_cell_length_b 18.093231210000003
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_ce... |
SuperCellAction | 6c7ff89e-53f8-4407-962d-5e70f22b412d | mp-1043670 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Zn2Ni8O12
_chemical_formula_sum "Zn2 Ni8 O12"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn2Ni8O12Zn2Ni8O12Zn2Ni8O12Zn2Ni8O12Zn2Ni8O12Zn2Ni8O12Zn2Ni8O12Zn2Ni8O12
_chemical_formula_sum "Zn16 Ni64 O96"
_cell_length_a 10.18093504
_cell_length_b 5.09046752
_cell_length_c 59.59688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | e6e7f27e-2918-4e10-b0d6-17f8993f343c | mp-704879 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Ni10Te8Br4O24
_chemical_formula_sum "Ni10 Te8 Br4 O24"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma 29.10422... | data_image0
_chemical_formula_structural Ni10Te8Br4O24Ni10Te8Br4O24Ni10Te8Br4O24Ni10Te8Br4O24Ni10Te8Br4O24Ni10Te8Br4O24Ni10Te8Br4O24Ni10Te8Br4O24
_chemical_formula_sum "Ni80 Te64 Br32 O192"
_cell_length_a 21.142944
_cell_length_b 42.28588799999999
_cell_length_c 16.45824874
_cell_an... |
SuperCellAction | 418ce36d-afae-467f-912a-753928e79f91 | mp-19512 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Ba4V8P8O40
_chemical_formula_sum "Ba4 V8 P8 O40"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ba4V8P8O40Ba4V8P8O40Ba4V8P8O40Ba4V8P8O40Ba4V8P8O40Ba4V8P8O40
_chemical_formula_sum "Ba24 V48 P48 O240"
_cell_length_a 28.052607
_cell_length_b 10.593604
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cel... |
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