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 | 6bc00fd5-2067-4564-83c7-c0d4d8c2506f | mp-1185672 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Mg16Al12H
_chemical_formula_sum "Mg16 Al12 H1"
_cell_length_a 9.10495516
_cell_length_b 9.10495516
_cell_length_c 9.06015584
_cell_angle_alpha 70.47656207
_cell_angle_beta 70.47656207
_cell_angle_gamma 109.49636402000002
_space_gro... | data_image0
_chemical_formula_structural Mg16Al12HMg16Al12HMg16Al12H
_chemical_formula_sum "Mg48 Al36 H3"
_cell_length_a 9.10495516
_cell_length_b 27.314865479999995
_cell_length_c 9.06015584
_cell_angle_alpha 70.47656207
_cell_angle_beta 70.47656207
_cell_angle_gamma 109.... |
SuperCellAction | e9442d2b-c2b0-4fc1-a558-454d1f70c478 | mp-757897 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Li8Fe12Co4O32
_chemical_formula_sum "Li8 Fe12 Co4 O32"
_cell_length_a 8.101068
_cell_length_b 8.101068
_cell_length_c 8.101068
_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 Li8Fe12Co4O32Li8Fe12Co4O32Li8Fe12Co4O32Li8Fe12Co4O32
_chemical_formula_sum "Li32 Fe48 Co16 O128"
_cell_length_a 16.202136
_cell_length_b 8.101068
_cell_length_c 16.202136
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 5b5e99e1-b687-4060-9970-773f3a4c5690 | mp-1212427 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Ho8Co2
_chemical_formula_sum "Ho8 Co2"
_cell_length_a 7.44397896
_cell_length_b 7.44397896
_cell_length_c 7.44397896
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Ho8Co2Ho8Co2
_chemical_formula_sum "Ho16 Co4"
_cell_length_a 7.44397896
_cell_length_b 14.88795792
_cell_length_c 7.44397896
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
SuperCellAction | 33ed0290-c6e7-494f-8d01-27cb5d0c8780 | mp-1853 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Sr6P28
_chemical_formula_sum "Sr6 P28"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sr6P28Sr6P28Sr6P28Sr6P28Sr6P28Sr6P28
_chemical_formula_sum "Sr36 P168"
_cell_length_a 19.10505456
_cell_length_b 9.92603614
_cell_length_c 25.6033988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space... |
SuperCellAction | 595ae6c9-b6ca-4c4f-806b-6924dbdc34aa | mp-1047 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... | data_image0
_chemical_formula_structural Ca6N4Ca6N4Ca6N4
_chemical_formula_sum "Ca18 N12"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 19.725113190000002
_cell_angle_alpha 56.04671973
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
... |
SuperCellAction | baf6059e-8c89-47a5-84a2-489b23137944 | mp-1224058 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6S2O2F10Ho6S2O2F10Ho6S2O2F10Ho6S2O2F10
_chemical_formula_sum "Ho24 S8 O8 F40"
_cell_length_a 7.348866
_cell_length_b 18.744228
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | d7aca9bb-f130-4dda-92d2-b3975f8c0036 | mp-2901360 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Ca2I4O8
_chemical_formula_sum "Ca2 I4 O8"
_cell_length_a 9.42743655
_cell_length_b 3.75674854
_cell_length_c 7.122865850000001
_cell_angle_alpha 79.45788314
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca2I4O8Ca2I4O8Ca2I4O8Ca2I4O8
_chemical_formula_sum "Ca8 I16 O32"
_cell_length_a 18.8548731
_cell_length_b 7.51349708
_cell_length_c 7.122865850000001
_cell_angle_alpha 79.45788314
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 6b76022c-d916-42ad-b756-378d322cd20b | mp-1201219 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural V2H20Se2N2O18
_chemical_formula_sum "V2 H20 Se2 N2 O18"
_cell_length_a 10.192343
_cell_length_b 6.453246
_cell_length_c 6.96197425
_cell_angle_alpha 71.20626341
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural V2H20Se2N2O18V2H20Se2N2O18V2H20Se2N2O18V2H20Se2N2O18V2H20Se2N2O18V2H20Se2N2O18V2H20Se2N2O18V2H20Se2N2O18
_chemical_formula_sum "V16 H160 Se16 N16 O144"
_cell_length_a 20.384686
_cell_length_b 6.453246
_cell_length_c 27.847897
_cell_angle_alph... |
SuperCellAction | e0c52e97-cb6b-4125-a1d4-08b601584231 | mp-2217908 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural MgCd2Co2O6
_chemical_formula_sum "Mg1 Cd2 Co2 O6"
_cell_length_a 6.21992716
_cell_length_b 6.22011824
_cell_length_c 6.21995203
_cell_angle_alpha 48.15589181999999
_cell_angle_beta 48.1563082
_cell_angle_gamma 48.15577986
_space_gr... | data_image0
_chemical_formula_structural MgCd2Co2O6MgCd2Co2O6
_chemical_formula_sum "Mg2 Cd4 Co4 O12"
_cell_length_a 6.21992716
_cell_length_b 12.44023648
_cell_length_c 6.21995203
_cell_angle_alpha 48.15589181999999
_cell_angle_beta 48.1563082
_cell_angle_gamma 48.1557798... |
SuperCellAction | 648985d0-61d3-4c5d-918f-f085d9616c12 | mp-18010 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Ta4Pd6Se16
_chemical_formula_sum "Ta4 Pd6 Se16"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_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 Ta4Pd6Se16Ta4Pd6Se16Ta4Pd6Se16Ta4Pd6Se16
_chemical_formula_sum "Ta16 Pd24 Se64"
_cell_length_a 7.1658173
_cell_length_b 22.2521321
_cell_length_c 15.47467255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SuperCellAction | f3a2e221-0a1c-4ae2-bd15-98bcf98151a4 | mp-541520 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural K2V6Se4O24
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2V6Se4O24K2V6Se4O24
_chemical_formula_sum "K4 V12 Se8 O48"
_cell_length_a 7.15859961
_cell_length_b 14.31719922
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_grou... |
SuperCellAction | 90b5ca44-c508-4aff-aeae-ed7c95fa9339 | mp-3536 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural Mg2Al4O8Mg2Al4O8Mg2Al4O8Mg2Al4O8Mg2Al4O8Mg2Al4O8
_chemical_formula_sum "Mg12 Al24 O48"
_cell_length_a 5.7136991
_cell_length_b 11.4273974
_cell_length_c 17.14109895
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cel... |
SuperCellAction | caacaba0-4759-4ee1-8569-6c3a7107d4e5 | mp-1518357 | Create a supercell with the size 2 by 1 by 2. | 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 Eu2HfNbO6Eu2HfNbO6Eu2HfNbO6Eu2HfNbO6
_chemical_formula_sum "Eu8 Hf4 Nb4 O24"
_cell_length_a 11.5399352
_cell_length_b 5.76996713
_cell_length_c 11.53993958
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_ga... |
SuperCellAction | 72867e20-8247-4003-96ec-83781ea22050 | mp-1226598 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... | data_image0
_chemical_formula_structural CeTh3O8CeTh3O8
_chemical_formula_sum "Ce2 Th6 O16"
_cell_length_a 13.02289748
_cell_length_b 26.04579496
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.38526055000002... |
SuperCellAction | af2c8d74-aa24-449b-84d2-78c135ba9650 | mp-1276118 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... | data_image0
_chemical_formula_structural Sr4Y4Co4O16Sr4Y4Co4O16
_chemical_formula_sum "Sr8 Y8 Co8 O32"
_cell_length_a 6.82662412
_cell_length_b 15.312441140000002
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15... |
SuperCellAction | 2b7d14ee-190a-468c-93f6-a747aecf4162 | mp-568234 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Na8Ca2Sn12
_chemical_formula_sum "Na8 Ca2 Sn12"
_cell_length_a 10.1450155
_cell_length_b 10.1450155
_cell_length_c 7.232024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999674000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na8Ca2Sn12Na8Ca2Sn12Na8Ca2Sn12Na8Ca2Sn12Na8Ca2Sn12Na8Ca2Sn12
_chemical_formula_sum "Na48 Ca12 Sn72"
_cell_length_a 30.4350465
_cell_length_b 20.290031
_cell_length_c 7.232024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | a77f8501-3287-4307-91f5-9052f6c54317 | mp-1196042 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12Na4H36Pt2N12F12
_chemical_formula_sum "Na24 H216 Pt12 N72 F72"
_cell_length_a 8.85184657
_cell_length_b 26.555539709999998
_cell_length_c 24.19078818
_cell_angle_alpha... |
SuperCellAction | e5cca0d3-71f2-4779-a117-9ddf2da910b7 | mp-1105286 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu9Pd6Eu9Pd6Eu9Pd6Eu9Pd6
_chemical_formula_sum "Eu36 Pd24"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 31.292375920000005
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.5608819... |
SuperCellAction | 66153850-a8b0-43eb-ab8a-6fc04a128093 | mp-1028291 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.35788669
_cell_length_b 6.26407423
_cell_length_c 10.26129398
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.51309288
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14TiSnMg14TiSnMg14TiSnMg14TiSnMg14TiSnMg14TiSn
_chemical_formula_sum "Mg84 Ti6 Sn6"
_cell_length_a 6.35788669
_cell_length_b 18.79222269
_cell_length_c 20.52258796
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119... |
SuperCellAction | 0fd6b590-eef2-4baf-90dd-97bff7aa2584 | mp-557900 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36
_chemical_formula_sum "Sb32 C32 S32 Cl64 F288"
_cell_length_a 19.615564
_cell_length_b 8.027716
_cell_length_c 50.999469319999996
_cell_a... |
SuperCellAction | 2b652768-6f80-4420-82af-22c253bd1f3f | mp-722910 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4
_chemical_formula_sum "K24 B72 H60 N12 O24"
_cell_length_a 9.0225729
_cell_length_b 18.0451458
_cell_length_c 24.658134000000004
_cell_angle_alpha 90.0
_cell_angle_be... |
SuperCellAction | f1bad99e-2735-4308-9ae5-69983e2f6f99 | mp-1079659 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_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 Ta2B4Mo4Ta2B4Mo4Ta2B4Mo4
_chemical_formula_sum "Ta6 B12 Mo12"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 9.576996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 3c8009ba-9147-4da1-9bcb-eb6f0255e840 | mp-1246724 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural K12W2N8
_chemical_formula_sum "K12 W2 N8"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_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 K12W2N8K12W2N8K12W2N8K12W2N8
_chemical_formula_sum "K48 W8 N32"
_cell_length_a 8.235276
_cell_length_b 32.941104
_cell_length_c 6.767872
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | de48673c-e572-4f0b-af62-d39100b72e8a | mp-1522534 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural KSmV4O12
_chemical_formula_sum "K1 Sm1 V4 O12"
_cell_length_a 6.08342674
_cell_length_b 6.083426740000001
_cell_length_c 7.22975552
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.35195116
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural KSmV4O12KSmV4O12KSmV4O12KSmV4O12KSmV4O12KSmV4O12
_chemical_formula_sum "K6 Sm6 V24 O72"
_cell_length_a 18.25028022
_cell_length_b 6.083426740000001
_cell_length_c 14.45951104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 86e14036-28b9-44fa-908d-91b3a1c87534 | mp-1217053 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural UFe10Si2
_chemical_formula_sum "U1 Fe10 Si2"
_cell_length_a 4.730447
_cell_length_b 6.3071932
_cell_length_c 6.3071932
_cell_angle_alpha 99.35466125000002
_cell_angle_beta 112.02456319999999
_cell_angle_gamma 67.9754368
_space_grou... | data_image0
_chemical_formula_structural UFe10Si2UFe10Si2UFe10Si2UFe10Si2UFe10Si2UFe10Si2UFe10Si2UFe10Si2
_chemical_formula_sum "U8 Fe80 Si16"
_cell_length_a 18.921788
_cell_length_b 12.6143864
_cell_length_c 6.3071932
_cell_angle_alpha 99.35466125000002
_cell_angle_beta 112.... |
SuperCellAction | 76dfc1ba-8ff2-4d57-a036-efd0662a2455 | mp-771953 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16
_chemical_formula_sum "Li32 Nb16 Ni48 O128"
_cell_length_a 23.5048306
_cell_length_b 5.87620765
_cell_length_c 19.272778
_cell_angle_alpha 90.... |
SuperCellAction | 888c724a-eff6-4fa6-bac0-bc1d580d82ad | mp-765360 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural NiPt12O16
_chemical_formula_sum "Ni1 Pt12 O16"
_cell_length_a 8.02621634
_cell_length_b 8.02621634
_cell_length_c 8.02621634
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural NiPt12O16NiPt12O16NiPt12O16NiPt12O16
_chemical_formula_sum "Ni4 Pt48 O64"
_cell_length_a 16.05243268
_cell_length_b 8.02621634
_cell_length_c 16.05243268
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_ang... |
SuperCellAction | 58c445c3-2114-48da-940e-77056544c737 | mp-1227224 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24Ca4La4Nb4Co4O24Ca4La4Nb4Co4O24Ca4La4Nb4Co4O24Ca4La4Nb4Co4O24Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca24 La24 Nb24 Co24 O144"
_cell_length_a 11.5043111
_cell_length_b 29.19681654
_cell_length_c 9.701811169999997
_cell_angle_alph... |
SuperCellAction | 4a9cf98b-009e-4a95-98b1-30e988b2c5cf | mp-1032930 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural CaMg6FeO8
_chemical_formula_sum "Ca1 Mg6 Fe1 O8"
_cell_length_a 8.71752451
_cell_length_b 4.36413882
_cell_length_c 4.36413882
_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 CaMg6FeO8CaMg6FeO8CaMg6FeO8CaMg6FeO8CaMg6FeO8CaMg6FeO8
_chemical_formula_sum "Ca6 Mg36 Fe6 O48"
_cell_length_a 26.15257353
_cell_length_b 8.72827764
_cell_length_c 4.36413882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 6e8147fd-94aa-4757-adb6-70401de68d13 | mp-1030940 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural KMg6BiO8
_chemical_formula_sum "K1 Mg6 Bi1 O8"
_cell_length_a 9.03070652
_cell_length_b 4.60148896
_cell_length_c 4.60148896
_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 KMg6BiO8KMg6BiO8
_chemical_formula_sum "K2 Mg12 Bi2 O16"
_cell_length_a 9.03070652
_cell_length_b 4.60148896
_cell_length_c 9.20297792
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 2e05321e-25bb-4b3a-9818-997efcd51824 | mp-1105973 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_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 Sc4Ag4Se8Sc4Ag4Se8Sc4Ag4Se8Sc4Ag4Se8Sc4Ag4Se8Sc4Ag4Se8
_chemical_formula_sum "Sc24 Ag24 Se48"
_cell_length_a 11.987219940000001
_cell_length_b 13.5629485
_cell_length_c 13.21755954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | f207906a-f0ca-4855-b9ae-6a7ae31c7a55 | mp-1196630 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12Fe2Cu16Sb6S26N12Fe2Cu16Sb6S26N12Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe8 Cu64 Sb24 S104 N48"
_cell_length_a 49.85844988
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_ang... |
SuperCellAction | 6a878bf0-3fff-4f28-a80c-4668bb4f3c85 | mp-768947 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Li10Zn3Ge4O16
_chemical_formula_sum "Li10 Zn3 Ge4 O16"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001
_spa... | data_image0
_chemical_formula_structural Li10Zn3Ge4O16Li10Zn3Ge4O16Li10Zn3Ge4O16Li10Zn3Ge4O16Li10Zn3Ge4O16Li10Zn3Ge4O16Li10Zn3Ge4O16Li10Zn3Ge4O16
_chemical_formula_sum "Li80 Zn24 Ge32 O128"
_cell_length_a 10.46257
_cell_length_b 6.39117044
_cell_length_c 43.99508064
_cell_angle_alph... |
SuperCellAction | 1b63d0cf-3c73-4a14-ae02-819446854997 | mp-766509 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Li12Mn3VP4C4O28
_chemical_formula_sum "Li12 Mn3 V1 P4 C4 O28"
_cell_length_a 6.62103
_cell_length_b 8.529274
_cell_length_c 10.00008452
_cell_angle_alpha 85.44371267
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Li12Mn3VP4C4O28Li12Mn3VP4C4O28Li12Mn3VP4C4O28Li12Mn3VP4C4O28
_chemical_formula_sum "Li48 Mn12 V4 P16 C16 O112"
_cell_length_a 6.62103
_cell_length_b 17.058548
_cell_length_c 20.00016904
_cell_angle_alpha 85.44371267
_cell_angle_beta 90... |
SuperCellAction | ba2545e7-8a89-4af4-9a96-a45b74e5663c | mp-758323 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24Li2Ti3CoP6O24Li2Ti3CoP6O24
_chemical_formula_sum "Li6 Ti9 Co3 P18 O72"
_cell_length_a 25.94210331
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_ga... |
SuperCellAction | ea4f5222-b224-430d-9975-f1ad178a3f83 | mp-757107 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... | data_image0
_chemical_formula_structural Li4Fe4Si4O14Li4Fe4Si4O14Li4Fe4Si4O14Li4Fe4Si4O14Li4Fe4Si4O14Li4Fe4Si4O14
_chemical_formula_sum "Li24 Fe24 Si24 O84"
_cell_length_a 14.811109560000002
_cell_length_b 13.34065991
_cell_length_c 9.8738518
_cell_angle_alpha 90.04725306
_cell_a... |
SuperCellAction | 50d59d49-9c26-49dc-9182-3dd87f71a2d7 | mp-1182357 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural BH12C3N
_chemical_formula_sum "B1 H12 C3 N1"
_cell_length_a 6.05032619
_cell_length_b 6.05032619
_cell_length_c 6.0503269
_cell_angle_alpha 108.44712973
_cell_angle_beta 108.44712973
_cell_angle_gamma 108.44713410999998
_space_grou... | data_image0
_chemical_formula_structural BH12C3NBH12C3NBH12C3NBH12C3NBH12C3NBH12C3NBH12C3NBH12C3N
_chemical_formula_sum "B8 H96 C24 N8"
_cell_length_a 12.10065238
_cell_length_b 24.20130476
_cell_length_c 6.0503269
_cell_angle_alpha 108.44712973
_cell_angle_beta 108.44712973
... |
SuperCellAction | 41054bd9-fabd-4a6d-a513-049c9dd52535 | mp-1208067 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... | data_image0
_chemical_formula_structural Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4
_chemical_formula_sum "Tm128 Cd32 Pd32"
_cell_length_a 18.99762364
_cell_length_b 9.49868892
_cell_length_c 37.99502984
_cell_angle_alpha 59.99933265
_cell_an... |
SuperCellAction | 10553c95-a722-4ffd-b680-d13b34132a52 | mp-1236434 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr32 Li8 Mn16 Cu24 S32 O32"
_cell_length_a 23.64592472
_cell_length_b 11.80011686
_cell_length_c 9... |
SuperCellAction | 9f8c4c27-d76c-4b23-ac41-9f2c3c2b9918 | mp-1202130 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural K4U4Se8O32
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K4U4Se8O32K4U4Se8O32K4U4Se8O32K4U4Se8O32
_chemical_formula_sum "K16 U16 Se32 O128"
_cell_length_a 20.480482
_cell_length_b 9.050216
_cell_length_c 25.71251264
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 2b3d2068-e9c3-4572-afdc-677299ec3d6f | mp-23180 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural In10Bi6
_chemical_formula_sum "In10 Bi6"
_cell_length_a 8.99298709
_cell_length_b 8.99298709
_cell_length_c 8.99298709
_cell_angle_alpha 124.13612909
_cell_angle_beta 124.13612909
_cell_angle_gamma 82.97386521999998
_space_group_na... | data_image0
_chemical_formula_structural In10Bi6In10Bi6In10Bi6In10Bi6In10Bi6In10Bi6In10Bi6In10Bi6
_chemical_formula_sum "In80 Bi48"
_cell_length_a 35.97194836
_cell_length_b 8.99298709
_cell_length_c 17.98597418
_cell_angle_alpha 124.13612909
_cell_angle_beta 124.13612909
_ce... |
SuperCellAction | 3feb304e-6a1f-4b5b-aeff-9253b8ddf599 | mp-755150 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural LiMn3Ni2O8
_chemical_formula_sum "Li1 Mn3 Ni2 O8"
_cell_length_a 5.95560691
_cell_length_b 5.95560691
_cell_length_c 5.95560691
_cell_angle_alpha 121.21523352000003
_cell_angle_beta 120.47303682
_cell_angle_gamma 88.54526209
_space... | data_image0
_chemical_formula_structural LiMn3Ni2O8LiMn3Ni2O8LiMn3Ni2O8LiMn3Ni2O8LiMn3Ni2O8LiMn3Ni2O8
_chemical_formula_sum "Li6 Mn18 Ni12 O48"
_cell_length_a 17.86682073
_cell_length_b 11.91121382
_cell_length_c 5.95560691
_cell_angle_alpha 121.21523352000003
_cell_angle_beta ... |
SuperCellAction | b3a8a129-980e-4747-9bde-c09c113df075 | mp-1029422 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6Nb2Zn4N6
_chemical_formula_sum "Nb16 Zn32 N48"
_cell_length_a 11.38259948
_cell_length_b 5.76525118
_cell_length_c 21.55727716
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | ea45b829-d5f6-43b6-bcde-15f6b742582c | mp-1222315 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural LiLaTi2O6
_chemical_formula_sum "Li1 La1 Ti2 O6"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural LiLaTi2O6LiLaTi2O6LiLaTi2O6LiLaTi2O6
_chemical_formula_sum "Li4 La4 Ti8 O24"
_cell_length_a 22.00526484
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_an... |
SuperCellAction | d4dc85a5-cfa5-4c2e-85d3-1d47e6d2895e | mp-1204213 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S14O60Tb4Nb4S14O60Tb4Nb4S14O60
_chemical_formula_sum "Tb12 Nb12 S42 O180"
_cell_length_a 38.565852
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 72a2acb5-6b20-46ff-b629-e1e1467cd6f8 | mp-769628 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li8V6Cr2O16Li8V6Cr2O16
_chemical_formula_sum "Li16 V12 Cr4 O32"
_cell_length_a 5.17703722
_cell_length_b 11.96662214
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_... |
SuperCellAction | dcb1af6c-27df-4fcc-8e24-484c0a0f6b82 | mp-569299 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Be4B8C8
_chemical_formula_sum "Be4 B8 C8"
_cell_length_a 4.701496
_cell_length_b 5.433968
_cell_length_c 6.133034
_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 Be4B8C8Be4B8C8Be4B8C8Be4B8C8Be4B8C8Be4B8C8
_chemical_formula_sum "Be24 B48 C48"
_cell_length_a 9.402992
_cell_length_b 16.301904
_cell_length_c 6.133034
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | a40b0f75-03ac-44f1-987c-2374ec5fa911 | mp-1212808 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural Dy8Rh2Dy8Rh2Dy8Rh2Dy8Rh2Dy8Rh2Dy8Rh2Dy8Rh2Dy8Rh2
_chemical_formula_sum "Dy64 Rh16"
_cell_length_a 7.58914232
_cell_length_b 15.178284640000001
_cell_length_c 30.356569279999995
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99... |
SuperCellAction | a1ffc916-3ff4-43e1-8c4e-72499eeb05f7 | mp-1173625 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Sr20Mg6Fe4Mo10O60
_chemical_formula_sum "Sr20 Mg6 Fe4 Mo10 O60"
_cell_length_a 5.65487814
_cell_length_b 56.61730067
_cell_length_c 5.668843420000001
_cell_angle_alpha 119.77604449
_cell_angle_beta 119.74319130000002
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr20Mg6Fe4Mo10O60Sr20Mg6Fe4Mo10O60Sr20Mg6Fe4Mo10O60Sr20Mg6Fe4Mo10O60Sr20Mg6Fe4Mo10O60Sr20Mg6Fe4Mo10O60
_chemical_formula_sum "Sr120 Mg36 Fe24 Mo60 O360"
_cell_length_a 16.96463442
_cell_length_b 113.23460134
_cell_length_c 5.668843420000001
_... |
SuperCellAction | 6919fcee-ab14-4435-92dc-8599b4c9632a | mp-755804 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Lu6TeO12
_chemical_formula_sum "Lu6 Te1 O12"
_cell_length_a 6.27780857
_cell_length_b 6.27780881
_cell_length_c 6.27780799
_cell_angle_alpha 98.83322104
_cell_angle_beta 98.83322721000002
_cell_angle_gamma 98.83321398
_space_group_... | data_image0
_chemical_formula_structural Lu6TeO12Lu6TeO12Lu6TeO12Lu6TeO12
_chemical_formula_sum "Lu24 Te4 O48"
_cell_length_a 25.11123428
_cell_length_b 6.27780881
_cell_length_c 6.27780799
_cell_angle_alpha 98.83322104
_cell_angle_beta 98.83322721000002
_cell_angle_gamma ... |
SuperCellAction | cee3c0e5-197d-4746-99f4-3006415536b2 | mp-1180177 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Mn4N4Cl12
_chemical_formula_sum "Mn4 N4 Cl12"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4N4Cl12Mn4N4Cl12Mn4N4Cl12Mn4N4Cl12Mn4N4Cl12Mn4N4Cl12
_chemical_formula_sum "Mn24 N24 Cl72"
_cell_length_a 13.28638944
_cell_length_b 6.64319472
_cell_length_c 28.485414000000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 83316c3f-d1b3-47f1-9193-8b6768c48e78 | mp-1213024 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... | data_image0
_chemical_formula_structural Er4Ge6Pt18Er4Ge6Pt18
_chemical_formula_sum "Er8 Ge12 Pt36"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 20.17547504
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.21399145999999... |
SuperCellAction | cdeb4930-395d-4397-ba4c-829806eb0093 | mp-642735 | Create a supercell with the size 3X2X1. | 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 | 88c78bf3-166b-46c9-b090-1b87481e6732 | mp-2217675 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural MgMn2Al2O6
_chemical_formula_sum "Mg1 Mn2 Al2 O6"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_space... | data_image0
_chemical_formula_structural MgMn2Al2O6MgMn2Al2O6MgMn2Al2O6MgMn2Al2O6MgMn2Al2O6MgMn2Al2O6MgMn2Al2O6MgMn2Al2O6
_chemical_formula_sum "Mg8 Mn16 Al16 O48"
_cell_length_a 4.99243128
_cell_length_b 22.9261218
_cell_length_c 11.08101062
_cell_angle_alpha 69.57045259
_cell_a... |
SuperCellAction | c0e106f4-3f29-49a4-9017-2546b100159b | mp-18411 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na12Ge4Se12Na12Ge4Se12Na12Ge4Se12Na12Ge4Se12Na12Ge4Se12Na12Ge4Se12
_chemical_formula_sum "Na72 Ge24 Se72"
_cell_length_a 11.90035661
_cell_length_b 16.4752174
_cell_length_c 25.11060372
_cell_angle_alpha 60.720833670000005
_cell_angle_beta... |
SuperCellAction | 58abf15d-0b91-4da2-88aa-6f1161dab90f | mp-752888 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Li4Cu2Si2O8
_chemical_formula_sum "Li4 Cu2 Si2 O8"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cu2Si2O8Li4Cu2Si2O8Li4Cu2Si2O8Li4Cu2Si2O8
_chemical_formula_sum "Li16 Cu8 Si8 O32"
_cell_length_a 21.09058684
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.7013... |
SuperCellAction | 7e2ddc2a-3d61-411d-a4ce-790a6aa36b40 | mp-735491 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural CaMg2H24Cl6O12
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma 107.1... | data_image0
_chemical_formula_structural CaMg2H24Cl6O12CaMg2H24Cl6O12CaMg2H24Cl6O12CaMg2H24Cl6O12
_chemical_formula_sum "Ca4 Mg8 H96 Cl24 O48"
_cell_length_a 16.555648
_cell_length_b 8.954916900000002
_cell_length_c 26.122377019999995
_cell_angle_alpha 106.75466694
_cell_angle_be... |
SuperCellAction | d47ce23d-e6c3-4082-97b7-bd46f04c3efb | mp-1028424 | Create a supercell with the size 2×1×1. | 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 CsMg14CoCsMg14Co
_chemical_formula_sum "Cs2 Mg28 Co2"
_cell_length_a 13.11520476
_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... |
SuperCellAction | a5624aff-c524-404b-8305-e5e6fc24bda9 | mp-1233972 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural K2MgFe4P6O16F12
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma 91.902... | data_image0
_chemical_formula_structural K2MgFe4P6O16F12K2MgFe4P6O16F12
_chemical_formula_sum "K4 Mg2 Fe8 P12 O32 F24"
_cell_length_a 14.86016578
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angl... |
SuperCellAction | e4827631-4678-43d9-8b37-fb715c66f819 | mp-22850 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... | data_image0
_chemical_formula_structural Ru4Cl12Ru4Cl12
_chemical_formula_sum "Ru8 Cl24"
_cell_length_a 11.35230022
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_... |
SuperCellAction | 9b914499-dd52-4639-af85-efec1f121df3 | mp-1179847 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Pt4N8Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_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 Pt4N8Cl8Pt4N8Cl8
_chemical_formula_sum "Pt8 N16 Cl16"
_cell_length_a 5.209054
_cell_length_b 18.403074
_cell_length_c 9.42545
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SuperCellAction | 6b0380aa-124b-40f5-886b-3d9748c316f8 | mp-758641 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Li8Fe4Ni10O24
_chemical_formula_sum "Li8 Fe4 Ni10 O24"
_cell_length_a 8.881747
_cell_length_b 5.034984
_cell_length_c 9.77686885
_cell_angle_alpha 79.35162121
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Fe4Ni10O24Li8Fe4Ni10O24
_chemical_formula_sum "Li16 Fe8 Ni20 O48"
_cell_length_a 8.881747
_cell_length_b 10.069968
_cell_length_c 9.77686885
_cell_angle_alpha 79.35162121
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 08c20576-a2ee-48da-a2d0-8dbafc9e97b6 | mp-772952 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_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 Li8V12Sn4O32Li8V12Sn4O32Li8V12Sn4O32Li8V12Sn4O32
_chemical_formula_sum "Li32 V48 Sn16 O128"
_cell_length_a 8.510521
_cell_length_b 17.021042
_cell_length_c 17.021042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | 4f8b5538-1645-46bd-a7f4-451e864382b6 | mp-1111040 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Rb2HgBiI6
_chemical_formula_sum "Rb2 Hg1 Bi1 I6"
_cell_length_a 8.80678303
_cell_length_b 8.80678303
_cell_length_c 8.80678303
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2HgBiI6Rb2HgBiI6Rb2HgBiI6Rb2HgBiI6Rb2HgBiI6Rb2HgBiI6Rb2HgBiI6Rb2HgBiI6
_chemical_formula_sum "Rb16 Hg8 Bi8 I48"
_cell_length_a 8.80678303
_cell_length_b 35.22713212
_cell_length_c 17.61356606
_cell_angle_alpha 59.999999999999986
_cell_an... |
SuperCellAction | 38d60d45-75eb-4bb9-8238-689a9062576e | mp-1216284 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural V4Re4O16
_chemical_formula_sum "V4 Re4 O16"
_cell_length_a 4.77833602
_cell_length_b 7.50857354
_cell_length_c 7.50850184
_cell_angle_alpha 100.99219614000002
_cell_angle_beta 91.2023349
_cell_angle_gamma 91.20688056
_space_group_n... | data_image0
_chemical_formula_structural V4Re4O16V4Re4O16V4Re4O16V4Re4O16V4Re4O16V4Re4O16V4Re4O16V4Re4O16
_chemical_formula_sum "V32 Re32 O128"
_cell_length_a 9.55667204
_cell_length_b 7.50857354
_cell_length_c 30.03400736
_cell_angle_alpha 100.99219614000002
_cell_angle_beta ... |
SuperCellAction | 4895d710-192d-4a13-af4e-deea80c1149d | mp-1048483 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Ba2AlNi3O7
_chemical_formula_sum "Ba2 Al1 Ni3 O7"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_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 Ba2AlNi3O7Ba2AlNi3O7Ba2AlNi3O7Ba2AlNi3O7
_chemical_formula_sum "Ba8 Al4 Ni12 O28"
_cell_length_a 7.500224
_cell_length_b 7.823018
_cell_length_c 11.334825
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 27b7c2ff-e27b-45d2-b837-177e0ae7836c | mp-1196290 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge4P8O36Ge4P8O36Ge4P8O36Ge4P8O36Ge4P8O36Ge4P8O36
_chemical_formula_sum "Ge24 P48 O216"
_cell_length_a 9.75301
_cell_length_b 25.252737030000002
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell... |
SuperCellAction | c189353b-290b-4dc6-a8e6-f01b6f71d341 | mp-532700 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Sr3La21Zn2Cu10O48
_chemical_formula_sum "Sr3 La21 Zn2 Cu10 O48"
_cell_length_a 5.36805
_cell_length_b 5.533925
_cell_length_c 39.24638072
_cell_angle_alpha 89.80141967
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sr3La21Zn2Cu10O48Sr3La21Zn2Cu10O48Sr3La21Zn2Cu10O48Sr3La21Zn2Cu10O48Sr3La21Zn2Cu10O48Sr3La21Zn2Cu10O48Sr3La21Zn2Cu10O48Sr3La21Zn2Cu10O48
_chemical_formula_sum "Sr24 La168 Zn16 Cu80 O384"
_cell_length_a 10.7361
_cell_length_b 22.1357
_cell_length_c ... |
SuperCellAction | 6f7cbc9f-0b16-4819-931c-c26ffe9e94d5 | mp-779525 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Li6Sb6P16O58
_chemical_formula_sum "Li6 Sb6 P16 O58"
_cell_length_a 9.81431617
_cell_length_b 9.814316169999998
_cell_length_c 14.34933458
_cell_angle_alpha 89.75970408
_cell_angle_beta 89.75970408
_cell_angle_gamma 60.18746356
_sp... | data_image0
_chemical_formula_structural Li6Sb6P16O58Li6Sb6P16O58Li6Sb6P16O58Li6Sb6P16O58Li6Sb6P16O58Li6Sb6P16O58Li6Sb6P16O58Li6Sb6P16O58
_chemical_formula_sum "Li48 Sb48 P128 O464"
_cell_length_a 9.81431617
_cell_length_b 39.25726467999999
_cell_length_c 28.69866916
_cell_angle_alp... |
SuperCellAction | 93d8c811-efe3-4a6e-aed6-3c4b2c7f6ea3 | mp-1020620 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Rb5Li6B11O22
_chemical_formula_sum "Rb5 Li6 B11 O22"
_cell_length_a 6.9108715
_cell_length_b 6.910871500000001
_cell_length_c 13.90918786
_cell_angle_alpha 75.49352378
_cell_angle_beta 75.49352378
_cell_angle_gamma 62.92486309999999... | data_image0
_chemical_formula_structural Rb5Li6B11O22Rb5Li6B11O22Rb5Li6B11O22Rb5Li6B11O22
_chemical_formula_sum "Rb20 Li24 B44 O88"
_cell_length_a 13.821743
_cell_length_b 6.910871500000001
_cell_length_c 27.81837572
_cell_angle_alpha 75.49352378
_cell_angle_beta 75.49352378
... |
SuperCellAction | 1a2edb25-9ff6-4567-898b-1ddce563e097 | mp-722910 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4K4B12H10N2O4
_chemical_formula_sum "K16 B48 H40 N8 O16"
_cell_length_a 18.0451458
_cell_length_b 9.0225729
_cell_length_c 16.438756
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 1... |
SuperCellAction | bb69ad2d-7aa3-4ecf-87c1-b1ec872d99c5 | mp-2452 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O10P4O10P4O10P4O10
_chemical_formula_sum "P16 O40"
_cell_length_a 19.34006708
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_spa... |
SuperCellAction | 547abbf1-ede0-4edb-abe5-ec0908272e6f | mp-2747986 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... | data_image0
_chemical_formula_structural Cs2U4O12Cs2U4O12Cs2U4O12Cs2U4O12Cs2U4O12Cs2U4O12Cs2U4O12Cs2U4O12
_chemical_formula_sum "Cs16 U32 O96"
_cell_length_a 15.82456836
_cell_length_b 15.82403854
_cell_length_c 15.72420864
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17... |
SuperCellAction | b9fc81e6-bee3-424c-8c0c-ba6f2b69dfe3 | mp-22663 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Rb4Li2Fe2F12
_chemical_formula_sum "Rb4 Li2 Fe2 F12"
_cell_length_a 10.3533976
_cell_length_b 10.3533976
_cell_length_c 10.3533979
_cell_angle_alpha 33.65900677
_cell_angle_beta 33.65900677000001
_cell_angle_gamma 33.65901299999999
... | data_image0
_chemical_formula_structural Rb4Li2Fe2F12Rb4Li2Fe2F12Rb4Li2Fe2F12Rb4Li2Fe2F12Rb4Li2Fe2F12Rb4Li2Fe2F12Rb4Li2Fe2F12Rb4Li2Fe2F12
_chemical_formula_sum "Rb32 Li16 Fe16 F96"
_cell_length_a 20.7067952
_cell_length_b 20.7067952
_cell_length_c 20.7067958
_cell_angle_alpha 33.... |
SuperCellAction | cf37aba1-f712-4691-8694-568d400705a3 | mp-10935 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Na2Er2P2O8F2
_chemical_formula_sum "Na2 Er2 P2 O8 F2"
_cell_length_a 5.66893758
_cell_length_b 5.66893758
_cell_length_c 6.50182419
_cell_angle_alpha 77.28592238000002
_cell_angle_beta 77.28592238000002
_cell_angle_gamma 75.5885696
... | data_image0
_chemical_formula_structural Na2Er2P2O8F2Na2Er2P2O8F2Na2Er2P2O8F2Na2Er2P2O8F2Na2Er2P2O8F2Na2Er2P2O8F2Na2Er2P2O8F2Na2Er2P2O8F2
_chemical_formula_sum "Na16 Er16 P16 O64 F16"
_cell_length_a 5.66893758
_cell_length_b 11.33787516
_cell_length_c 26.00729676
_cell_angle_alpha ... |
SuperCellAction | 8e950ef7-86ed-4fe6-9da3-49f35d16a386 | mp-779533 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 Ba12Br8O8Ba12Br8O8Ba12Br8O8Ba12Br8O8
_chemical_formula_sum "Ba48 Br32 O32"
_cell_length_a 25.468548
_cell_length_b 7.584598
_cell_length_c 19.738796
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 86a9f5b5-74b1-456a-a7cd-a3628c04c1da | mp-601716 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Fe4Bi4Sb4S16
_chemical_formula_sum "Fe4 Bi4 Sb4 S16"
_cell_length_a 3.652695
_cell_length_b 11.587656
_cell_length_c 13.842758
_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 Fe4Bi4Sb4S16Fe4Bi4Sb4S16Fe4Bi4Sb4S16
_chemical_formula_sum "Fe12 Bi12 Sb12 S48"
_cell_length_a 3.652695
_cell_length_b 34.762968
_cell_length_c 13.842758
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | e24502c5-4e9e-4b55-b7ab-1ae0975fd698 | mp-19808 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Eu2Zn4Ge4
_chemical_formula_sum "Eu2 Zn4 Ge4"
_cell_length_a 4.31729603
_cell_length_b 4.31729603
_cell_length_c 10.51005343
_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 Eu2Zn4Ge4Eu2Zn4Ge4Eu2Zn4Ge4Eu2Zn4Ge4
_chemical_formula_sum "Eu8 Zn16 Ge16"
_cell_length_a 4.31729603
_cell_length_b 8.63459206
_cell_length_c 21.02010686
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 3cd6248e-cdbe-4448-a33e-3688ec7d2707 | mp-780186 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Li9Mn10O20
_chemical_formula_sum "Li9 Mn10 O20"
_cell_length_a 5.130761
_cell_length_b 7.95721245
_cell_length_c 10.58464303
_cell_angle_alpha 105.63652019
_cell_angle_beta 101.21512979
_cell_angle_gamma 105.78322504
_space_group_n... | data_image0
_chemical_formula_structural Li9Mn10O20Li9Mn10O20Li9Mn10O20
_chemical_formula_sum "Li27 Mn30 O60"
_cell_length_a 5.130761
_cell_length_b 7.95721245
_cell_length_c 31.75392909
_cell_angle_alpha 105.63652019
_cell_angle_beta 101.21512979
_cell_angle_gamma 105.783... |
SuperCellAction | 373a0a8a-8244-4ded-95d8-d6d92310ba44 | mp-765943 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... | data_image0
_chemical_formula_structural Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8
_chemical_formula_sum "Li96 V64 O128 F64"
_cell_length_a 5.28340534
_cell_length_b 59.91724264
_cell_length_c 11.78423964
_cell_angle_alpha 100.624000... |
SuperCellAction | bba86b36-febb-4936-ba8e-09a738b5ab48 | mp-20268 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4Pd4Ti4Ge4Pd4
_chemical_formula_sum "Ti8 Ge8 Pd8"
_cell_length_a 3.84471038
_cell_length_b 12.8044962
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.999999... |
SuperCellAction | 56a0a658-7f18-4891-beae-0d014a138669 | mp-17753 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Nd6Ru2O14
_chemical_formula_sum "Nd6 Ru2 O14"
_cell_length_a 6.60662235
_cell_length_b 6.606622350000001
_cell_length_c 7.52891995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.20727569
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Nd6Ru2O14Nd6Ru2O14Nd6Ru2O14Nd6Ru2O14
_chemical_formula_sum "Nd24 Ru8 O56"
_cell_length_a 6.60662235
_cell_length_b 13.213244700000002
_cell_length_c 15.0578399
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.20727... |
SuperCellAction | 457d6745-a509-46dd-8c3b-b76e59b9809b | mp-35143 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6Ba2Nb2S6Ba2Nb2S6
_chemical_formula_sum "Ba6 Nb6 S18"
_cell_length_a 20.85796827
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_gr... |
SuperCellAction | 27c30d96-80f6-45f9-9a95-2a0f755d76c4 | mp-1354855 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Ca6Ti12O24
_chemical_formula_sum "Ca6 Ti12 O24"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999994
_... | data_image0
_chemical_formula_structural Ca6Ti12O24Ca6Ti12O24Ca6Ti12O24Ca6Ti12O24Ca6Ti12O24Ca6Ti12O24
_chemical_formula_sum "Ca36 Ti72 O144"
_cell_length_a 12.73553638
_cell_length_b 19.10330457
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta ... |
SuperCellAction | bed7bd98-65e4-40bc-b37e-792adfa07e0b | mp-1233843 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... | data_image0
_chemical_formula_structural MgCo6O2F10MgCo6O2F10MgCo6O2F10MgCo6O2F10
_chemical_formula_sum "Mg4 Co24 O8 F40"
_cell_length_a 10.41353844
_cell_length_b 10.40738506
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_an... |
SuperCellAction | be165c9c-f232-4b06-81e8-3385d15ce894 | mp-1246916 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Mg2Ni10N8
_chemical_formula_sum "Mg2 Ni10 N8"
_cell_length_a 7.759587
_cell_length_b 6.009984
_cell_length_c 4.348536
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Mg2Ni10N8Mg2Ni10N8Mg2Ni10N8Mg2Ni10N8
_chemical_formula_sum "Mg8 Ni40 N32"
_cell_length_a 15.519174
_cell_length_b 12.019968
_cell_length_c 4.348536
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | aa71fee2-37e7-4d36-b89f-df851778b7e0 | mp-1043721 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20Mg4Sn4Bi4O20Mg4Sn4Bi4O20Mg4Sn4Bi4O20Mg4Sn4Bi4O20Mg4Sn4Bi4O20
_chemical_formula_sum "Mg24 Sn24 Bi24 O120"
_cell_length_a 22.10969
_cell_length_b 5.442748
_cell_length_c 26.159775299999996
_cell_angle_alpha 68.83335382
_cell_angl... |
SuperCellAction | 6842c340-b424-4f0a-b1d4-45e061e1d130 | mp-1026795 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiMg14WLiMg14WLiMg14WLiMg14W
_chemical_formula_sum "Li4 Mg56 W4"
_cell_length_a 12.59859982
_cell_length_b 6.299299410000001
_cell_length_c 19.90647368
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_sp... |
SuperCellAction | 98687d03-af9e-4b62-b57a-9842940976c0 | mp-763051 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 5.13099459
_cell_length_b 5.93920482
_cell_length_c 7.86264398
_cell_angle_alpha 100.88303528999998
_cell_angle_beta 70.52889016
_cell_angle_gamma 90.00075203
_space_gro... | data_image0
_chemical_formula_structural Li8V4O8F4Li8V4O8F4Li8V4O8F4Li8V4O8F4
_chemical_formula_sum "Li32 V16 O32 F16"
_cell_length_a 10.26198918
_cell_length_b 5.93920482
_cell_length_c 15.72528796
_cell_angle_alpha 100.88303528999998
_cell_angle_beta 70.52889016
_cell_angle... |
SuperCellAction | f1341cd2-4f0d-4019-87ba-1f613b6d479f | mp-1227489 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Ca2Al24O38
_chemical_formula_sum "Ca2 Al24 O38"
_cell_length_a 5.61109181
_cell_length_b 5.61109181
_cell_length_c 22.067731
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ca2Al24O38Ca2Al24O38Ca2Al24O38Ca2Al24O38
_chemical_formula_sum "Ca8 Al96 O152"
_cell_length_a 5.61109181
_cell_length_b 22.44436724
_cell_length_c 22.067731
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779... |
SuperCellAction | d10036d4-55e4-4d2f-81ad-979142a931e8 | mp-759328 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Li4Ti4V6O20
_chemical_formula_sum "Li4 Ti4 V6 O20"
_cell_length_a 5.14849813
_cell_length_b 7.73748258
_cell_length_c 10.46219472
_cell_angle_alpha 104.39594751
_cell_angle_beta 103.46170253
_cell_angle_gamma 78.20151557
_space_gro... | data_image0
_chemical_formula_structural Li4Ti4V6O20Li4Ti4V6O20Li4Ti4V6O20Li4Ti4V6O20Li4Ti4V6O20Li4Ti4V6O20Li4Ti4V6O20Li4Ti4V6O20
_chemical_formula_sum "Li32 Ti32 V48 O160"
_cell_length_a 10.29699626
_cell_length_b 15.47496516
_cell_length_c 20.92438944
_cell_angle_alpha 104.3959... |
SuperCellAction | 910d7c17-ee02-4db1-9744-1dd516207d1d | mp-1217947 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24
_chemical_formula_sum "Ta32 Nb32 Ag64 O192"
_cell_length_a 11.228542
_cell_length_b 5.686728
_cell_length_c 63.407536
_cell_angle_alpha 90.0
_... |
SuperCellAction | 02c6af80-a8b5-4d26-b570-6e849a72176c | mp-17728 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... | data_image0
_chemical_formula_structural Ta12Ge4Ta12Ge4Ta12Ge4Ta12Ge4Ta12Ge4Ta12Ge4Ta12Ge4Ta12Ge4
_chemical_formula_sum "Ta96 Ge32"
_cell_length_a 10.32552752
_cell_length_b 15.53390632
_cell_length_c 15.532800119999997
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467... |
SuperCellAction | 02e99e0e-4bef-45b3-a8fa-8cb49c2ad9b8 | mp-1191384 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Ca4B8H12
_chemical_formula_sum "Ca4 B8 H12"
_cell_length_a 3.639707
_cell_length_b 3.54837387
_cell_length_c 16.44897779
_cell_angle_alpha 90.92026841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca4B8H12Ca4B8H12Ca4B8H12Ca4B8H12Ca4B8H12Ca4B8H12Ca4B8H12Ca4B8H12
_chemical_formula_sum "Ca32 B64 H96"
_cell_length_a 3.639707
_cell_length_b 7.09674774
_cell_length_c 65.79591116
_cell_angle_alpha 90.92026841
_cell_angle_beta 90.0
_cel... |
SuperCellAction | 2d5ebe25-aa10-45a1-b834-0a5e4ef2ebf4 | mp-1213000 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Eu2Ag2W4O16
_chemical_formula_sum "Eu2 Ag2 W4 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_... | data_image0
_chemical_formula_structural Eu2Ag2W4O16Eu2Ag2W4O16Eu2Ag2W4O16Eu2Ag2W4O16
_chemical_formula_sum "Eu8 Ag8 W16 O64"
_cell_length_a 7.55169242
_cell_length_b 15.103384840000002
_cell_length_c 14.9350686
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell... |
SuperCellAction | fef635f0-5300-442d-8c99-45b345b0a65b | mp-989551 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural LiTl2InF6
_chemical_formula_sum "Li1 Tl2 In1 F6"
_cell_length_a 6.05849797
_cell_length_b 6.05849797
_cell_length_c 6.05849797
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural LiTl2InF6LiTl2InF6
_chemical_formula_sum "Li2 Tl4 In2 F12"
_cell_length_a 12.11699594
_cell_length_b 6.05849797
_cell_length_c 6.05849797
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... |
SuperCellAction | 1f6ee1b2-4e6d-4826-9027-d92fd2b5ddee | mp-779858 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Sm12Nb4O28
_chemical_formula_sum "Sm12 Nb4 O28"
_cell_length_a 7.6038
_cell_length_b 7.722814
_cell_length_c 10.832305
_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 Sm12Nb4O28Sm12Nb4O28Sm12Nb4O28Sm12Nb4O28Sm12Nb4O28Sm12Nb4O28
_chemical_formula_sum "Sm72 Nb24 O168"
_cell_length_a 15.2076
_cell_length_b 7.722814
_cell_length_c 32.496915
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 2ae1cded-c1f8-4177-a58c-51ccced8a7ab | mp-1022594 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Mg12Zn2Ga2
_chemical_formula_sum "Mg12 Zn2 Ga2"
_cell_length_a 4.935307
_cell_length_b 6.310967
_cell_length_c 10.63879
_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 Mg12Zn2Ga2Mg12Zn2Ga2Mg12Zn2Ga2Mg12Zn2Ga2Mg12Zn2Ga2Mg12Zn2Ga2
_chemical_formula_sum "Mg72 Zn12 Ga12"
_cell_length_a 4.935307
_cell_length_b 12.621934
_cell_length_c 31.91637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | a7050589-db19-4dec-bad3-15ed878029b0 | mp-2226940 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural MgZn2Ni4O8
_chemical_formula_sum "Mg1 Zn2 Ni4 O8"
_cell_length_a 6.24496673
_cell_length_b 5.848643550000001
_cell_length_c 5.85074879
_cell_angle_alpha 59.87032730000001
_cell_angle_beta 61.83354084
_cell_angle_gamma 61.98039920000... | data_image0
_chemical_formula_structural MgZn2Ni4O8MgZn2Ni4O8MgZn2Ni4O8MgZn2Ni4O8MgZn2Ni4O8MgZn2Ni4O8MgZn2Ni4O8MgZn2Ni4O8
_chemical_formula_sum "Mg8 Zn16 Ni32 O64"
_cell_length_a 12.48993346
_cell_length_b 11.697287100000002
_cell_length_c 11.70149758
_cell_angle_alpha 59.8703273... |
SuperCellAction | 3544190e-6c55-4f6c-82b3-a6f5333a854f | mp-1226097 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Cr6Co2CuSe12
_chemical_formula_sum "Cr6 Co2 Cu1 Se12"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_grou... | data_image0
_chemical_formula_structural Cr6Co2CuSe12Cr6Co2CuSe12Cr6Co2CuSe12
_chemical_formula_sum "Cr18 Co6 Cu3 Se36"
_cell_length_a 19.8897945
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma ... |
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