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 | ab572d80-c610-4682-927f-881538efaf3a | mp-27041 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Li2Cr2P2O8
_chemical_formula_sum "Li2 Cr2 P2 O8"
_cell_length_a 7.39277275
_cell_length_b 6.28365082
_cell_length_c 5.58373517
_cell_angle_alpha 76.81230335
_cell_angle_beta 55.84855332
_cell_angle_gamma 47.33914332999999
_space_gr... | data_image0
_chemical_formula_structural Li2Cr2P2O8Li2Cr2P2O8Li2Cr2P2O8
_chemical_formula_sum "Li6 Cr6 P6 O24"
_cell_length_a 7.39277275
_cell_length_b 6.28365082
_cell_length_c 16.751205510000002
_cell_angle_alpha 76.81230335
_cell_angle_beta 55.84855332
_cell_angle_gamma ... |
SuperCellAction | 7e09c4aa-6f31-451b-ba3a-d0eba1f713bb | mp-753731 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Ba4Ca2I12
_chemical_formula_sum "Ba4 Ca2 I12"
_cell_length_a 7.898283
_cell_length_b 7.898283
_cell_length_c 15.327723
_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 Ba4Ca2I12Ba4Ca2I12Ba4Ca2I12Ba4Ca2I12
_chemical_formula_sum "Ba16 Ca8 I48"
_cell_length_a 7.898283
_cell_length_b 31.593132
_cell_length_c 15.327723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | ce1203a5-32bb-4cd9-8449-c42470585602 | mp-17728 | Create a supercell with the size 2x1x3. | 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 Ta12Ge4Ta12Ge4Ta12Ge4Ta12Ge4Ta12Ge4Ta12Ge4
_chemical_formula_sum "Ta72 Ge24"
_cell_length_a 10.32552752
_cell_length_b 7.76695316
_cell_length_c 23.299200179999996
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_ga... |
SuperCellAction | 14fe943d-2577-4210-b8f8-35c96da747f2 | mp-753829 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Cr4O6
_chemical_formula_sum "Cr4 O6"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space... | data_image0
_chemical_formula_structural Cr4O6Cr4O6Cr4O6
_chemical_formula_sum "Cr12 O18"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 15.172286159999999
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22... |
SuperCellAction | e056253e-7472-4286-9914-239d05a61484 | mp-615141 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pb2Cl4O8Pb2Cl4O8Pb2Cl4O8
_chemical_formula_sum "Pb6 Cl12 O24"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 18.340163999999998
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
... |
SuperCellAction | eb00b808-553d-462d-9d00-034a61e9d24c | mp-559248 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural V4H40N8O8F16
_chemical_formula_sum "V4 H40 N8 O8 F16"
_cell_length_a 9.807839
_cell_length_b 7.079551
_cell_length_c 10.31354053
_cell_angle_alpha 78.36193377
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V4H40N8O8F16V4H40N8O8F16V4H40N8O8F16V4H40N8O8F16
_chemical_formula_sum "V16 H160 N32 O32 F64"
_cell_length_a 9.807839
_cell_length_b 7.079551
_cell_length_c 41.25416212
_cell_angle_alpha 78.36193377
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 66df128b-b379-463e-9b41-2649849e4f35 | mp-1221196 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Na4EuSi2Te6
_chemical_formula_sum "Na4 Eu1 Si2 Te6"
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 8.51669282
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angle_gamma 119.89827411
_space_grou... | data_image0
_chemical_formula_structural Na4EuSi2Te6Na4EuSi2Te6Na4EuSi2Te6Na4EuSi2Te6
_chemical_formula_sum "Na16 Eu4 Si8 Te24"
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 34.06677128
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angl... |
SuperCellAction | a32901e4-e591-4c8f-8234-39b083cd8e5b | mp-1032871 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_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 HfMg6AlO8HfMg6AlO8
_chemical_formula_sum "Hf2 Mg12 Al2 O16"
_cell_length_a 8.96578721
_cell_length_b 8.69676458
_cell_length_c 4.34838229
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | 204362bc-5ab7-4580-8dd7-be6c20c82504 | mp-1225071 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural ErAl6Cu6
_chemical_formula_sum "Er1 Al6 Cu6"
_cell_length_a 4.97331248
_cell_length_b 6.563630650000001
_cell_length_c 6.5636306499999995
_cell_angle_alpha 99.08310517
_cell_angle_beta 112.26270552
_cell_angle_gamma 67.73729448
_sp... | data_image0
_chemical_formula_structural ErAl6Cu6ErAl6Cu6ErAl6Cu6ErAl6Cu6
_chemical_formula_sum "Er4 Al24 Cu24"
_cell_length_a 9.94662496
_cell_length_b 6.563630650000001
_cell_length_c 13.127261299999999
_cell_angle_alpha 99.08310517
_cell_angle_beta 112.26270552
_cell_angle... |
SuperCellAction | b2b45008-b8a6-4ed7-8e1f-b2eaec5b2435 | mp-1644899 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24
_chemical_formula_sum "Li48 V32 C64 O192"
_cell_length_a 7.66037472
_cell_length_b 30.63217936
_cell_length_c 17.86091812
_cell_angle_alpha 106.1839728
_cell_... |
SuperCellAction | ae7b80bb-0d63-4aff-bc05-009808d3f329 | mp-1023480 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_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 Mg12Al2Ni2Mg12Al2Ni2Mg12Al2Ni2Mg12Al2Ni2Mg12Al2Ni2Mg12Al2Ni2
_chemical_formula_sum "Mg72 Al12 Ni12"
_cell_length_a 9.718064
_cell_length_b 6.040872
_cell_length_c 31.403370000000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | a9345f50-811c-4f4b-aa5e-a1efc5276fbb | mp-778508 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Li12Mn4V4P12O48
_chemical_formula_sum "Li12 Mn4 V4 P12 O48"
_cell_length_a 9.831781
_cell_length_b 9.87281945
_cell_length_c 9.92081065
_cell_angle_alpha 85.77918818999999
_cell_angle_beta 87.70494136999999
_cell_angle_gamma 87.5770... | data_image0
_chemical_formula_structural Li12Mn4V4P12O48Li12Mn4V4P12O48Li12Mn4V4P12O48Li12Mn4V4P12O48Li12Mn4V4P12O48Li12Mn4V4P12O48
_chemical_formula_sum "Li72 Mn24 V24 P72 O288"
_cell_length_a 9.831781
_cell_length_b 29.61845835
_cell_length_c 19.8416213
_cell_angle_alpha 85.779... |
SuperCellAction | b3801cce-aa5d-4396-9db0-0c8782e25ee1 | mp-779444 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Li4Mn2Fe2B4O12
_chemical_formula_sum "Li4 Mn2 Fe2 B4 O12"
_cell_length_a 5.23969178
_cell_length_b 8.20273029
_cell_length_c 5.99169676
_cell_angle_alpha 77.13265952
_cell_angle_beta 89.0143268
_cell_angle_gamma 90.75553767
_space_... | data_image0
_chemical_formula_structural Li4Mn2Fe2B4O12Li4Mn2Fe2B4O12Li4Mn2Fe2B4O12Li4Mn2Fe2B4O12Li4Mn2Fe2B4O12Li4Mn2Fe2B4O12Li4Mn2Fe2B4O12Li4Mn2Fe2B4O12
_chemical_formula_sum "Li32 Mn16 Fe16 B32 O96"
_cell_length_a 10.47938356
_cell_length_b 16.40546058
_cell_length_c 11.98339352
_... |
SuperCellAction | aef2a397-7cee-4cce-937f-b75fd88d02fd | mp-777904 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... | data_image0
_chemical_formula_structural Li4Ti6Cr2O16Li4Ti6Cr2O16Li4Ti6Cr2O16Li4Ti6Cr2O16Li4Ti6Cr2O16Li4Ti6Cr2O16
_chemical_formula_sum "Li24 Ti36 Cr12 O96"
_cell_length_a 5.89554411
_cell_length_b 17.686632330000002
_cell_length_c 19.293778
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | 12a635bf-34b3-4306-88a9-84deaa331673 | mp-1020592 | Create a supercell with the size 1X2X2. | 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 Sr8Li4Si8N16O2Sr8Li4Si8N16O2Sr8Li4Si8N16O2Sr8Li4Si8N16O2
_chemical_formula_sum "Sr32 Li16 Si32 N64 O8"
_cell_length_a 9.374073
_cell_length_b 18.748146
_cell_length_c 11.217576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | c717a85e-352a-4469-80a8-8be945d4e33b | mp-1386638 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16
_chemical_formula_sum "Na40 Cu24 P32 O128"
_cell_length_a 10.306622
_cell_length_b 17.00360456
_cell_length_c 18.38571766
_cell_angle_alpha 116.132201... |
SuperCellAction | a974ffee-aff9-4abe-b54b-3fb94249859d | mp-19489 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40
_chemical_formula_sum "Sm24 Co24 B120 O240"
_cell_length_a 7.654513
_cell_length_b 17.492596
_cell_length_c 28.408847730000005
_cell_angle_alpha 86.99432535
_cell_ang... |
SuperCellAction | 31638dbc-5308-4004-a4bb-778245e8c128 | mp-6955 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural K4Ge4N4O4K4Ge4N4O4K4Ge4N4O4K4Ge4N4O4
_chemical_formula_sum "K16 Ge16 N16 O16"
_cell_length_a 10.58235
_cell_length_b 5.81047
_cell_length_c 16.3845
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | 382cf937-0035-4043-a807-df9f6ccd4088 | mp-770361 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Li4V8B4O20
_chemical_formula_sum "Li4 V8 B4 O20"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Li4V8B4O20Li4V8B4O20Li4V8B4O20Li4V8B4O20
_chemical_formula_sum "Li16 V32 B16 O80"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 49.606012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | cfa11d6e-f14b-4126-9b7e-0015368d95b9 | mp-7998 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge4O10Li4Ge4O10Li4Ge4O10Li4Ge4O10Li4Ge4O10Li4Ge4O10
_chemical_formula_sum "Li24 Ge24 O60"
_cell_length_a 8.20316122
_cell_length_b 24.60948366
_cell_length_c 9.89811822
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | dacb84ad-b144-49cb-96fc-99a27f032b61 | mp-1190131 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural La4Sc4S12
_chemical_formula_sum "La4 Sc4 S12"
_cell_length_a 6.58114518
_cell_length_b 7.21722551
_cell_length_c 9.64897414
_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 La4Sc4S12La4Sc4S12La4Sc4S12La4Sc4S12La4Sc4S12La4Sc4S12
_chemical_formula_sum "La24 Sc24 S72"
_cell_length_a 19.74343554
_cell_length_b 14.43445102
_cell_length_c 9.64897414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 622bcc75-7db5-4dde-ab25-f9577b1c5e16 | mp-1105068 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7
_chemical_formula_sum "Ba6 Y6 Fe24 O42"
_cell_length_a 12.9498249
_cell_length_b 6.47491245
_cell_length_c 19.42473735
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_... |
SuperCellAction | 29931ab0-d882-49f4-8199-1d419b2b36ab | mp-774789 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32Li8Ti4Co6Sb6O32Li8Ti4Co6Sb6O32Li8Ti4Co6Sb6O32Li8Ti4Co6Sb6O32Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li48 Ti24 Co36 Sb36 O192"
_cell_length_a 12.32235086
_cell_length_b 11.44884562
_cell_length_c 31.913376989999996
_cell_angle_al... |
SuperCellAction | cee3cfd2-5db6-4777-9344-e7cad9da6466 | mp-23013 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural U4Cl8O8U4Cl8O8U4Cl8O8U4Cl8O8
_chemical_formula_sum "U16 Cl32 O32"
_cell_length_a 5.76341914
_cell_length_b 16.88810408
_cell_length_c 17.47600232
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SuperCellAction | 3b743194-e890-4ffc-9e69-740a9b1f0258 | mp-1220955 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural NaSr2Fe6As6NaSr2Fe6As6NaSr2Fe6As6NaSr2Fe6As6
_chemical_formula_sum "Na4 Sr8 Fe24 As24"
_cell_length_a 11.03180542
_cell_length_b 6.51737211
_cell_length_c 17.71013658
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_an... |
SuperCellAction | a8621738-e9a1-4c14-a83b-0a386a7953d5 | mp-1110736 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Rb3AlBr6
_chemical_formula_sum "Rb3 Al1 Br6"
_cell_length_a 8.15533404
_cell_length_b 8.15533404
_cell_length_c 8.15533404
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Rb3AlBr6Rb3AlBr6Rb3AlBr6Rb3AlBr6Rb3AlBr6Rb3AlBr6Rb3AlBr6Rb3AlBr6
_chemical_formula_sum "Rb24 Al8 Br48"
_cell_length_a 8.15533404
_cell_length_b 32.62133616
_cell_length_c 16.31066808
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | 219a3c85-edc0-4636-8a03-463e6c6ee4dc | mp-1360929 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Mg3Cr6Fe4O24
_chemical_formula_sum "Mg3 Cr6 Fe4 O24"
_cell_length_a 6.69328991
_cell_length_b 8.15055763
_cell_length_c 9.82946339
_cell_angle_alpha 104.80703253
_cell_angle_beta 105.89604363
_cell_angle_gamma 102.07778496
_space_g... | data_image0
_chemical_formula_structural Mg3Cr6Fe4O24Mg3Cr6Fe4O24Mg3Cr6Fe4O24Mg3Cr6Fe4O24
_chemical_formula_sum "Mg12 Cr24 Fe16 O96"
_cell_length_a 26.77315964
_cell_length_b 8.15055763
_cell_length_c 9.82946339
_cell_angle_alpha 104.80703253
_cell_angle_beta 105.89604363
_ce... |
SuperCellAction | 1b1cda4d-b1fe-4598-978d-70ab24dcf1e4 | mp-770481 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta9PO25Ta9PO25
_chemical_formula_sum "Ta18 P2 O50"
_cell_length_a 11.21513065
_cell_length_b 22.43025034
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_gr... |
SuperCellAction | bb4bca8c-1b44-465c-b878-525b48b6cdba | mp-1193081 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Cs12Cr4O14
_chemical_formula_sum "Cs12 Cr4 O14"
_cell_length_a 7.2455194
_cell_length_b 9.81900027
_cell_length_c 9.892262060000002
_cell_angle_alpha 89.99825766
_cell_angle_beta 90.89857344999999
_cell_angle_gamma 90.00020682000002... | data_image0
_chemical_formula_structural Cs12Cr4O14Cs12Cr4O14
_chemical_formula_sum "Cs24 Cr8 O28"
_cell_length_a 7.2455194
_cell_length_b 19.63800054
_cell_length_c 9.892262060000002
_cell_angle_alpha 89.99825766
_cell_angle_beta 90.89857344999999
_cell_angle_gamma 90.000... |
SuperCellAction | 359990f5-5879-4933-9029-61c22469a3e1 | mp-13514 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... | data_image0
_chemical_formula_structural Nd4B4O12Nd4B4O12Nd4B4O12Nd4B4O12
_chemical_formula_sum "Nd16 B16 O48"
_cell_length_a 25.16456036
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma ... |
SuperCellAction | 87488121-e794-4aa1-ad4b-8b72018956a8 | mp-17256 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... | data_image0
_chemical_formula_structural Rb4Hf6O2F24Rb4Hf6O2F24Rb4Hf6O2F24
_chemical_formula_sum "Rb12 Hf18 O6 F72"
_cell_length_a 10.8372027
_cell_length_b 32.5116081
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193427999999
_cell_angle_beta 41.33193428
_cell_angle_gamm... |
SuperCellAction | 894021a4-e285-4c84-99a1-00f0d96f2e74 | mp-1221954 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTi2ZnO6MgTi2ZnO6MgTi2ZnO6MgTi2ZnO6
_chemical_formula_sum "Mg4 Ti8 Zn4 O24"
_cell_length_a 22.15423436
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
... |
SuperCellAction | dc8a32b4-4a45-4c84-8c84-ffa8ca722092 | mp-1181584 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural H16C4N16O8
_chemical_formula_sum "H16 C4 N16 O8"
_cell_length_a 15.64905994
_cell_length_b 12.69497605
_cell_length_c 9.453627849999998
_cell_angle_alpha 88.65347747000001
_cell_angle_beta 54.19426781999998
_cell_angle_gamma 37.1522... | data_image0
_chemical_formula_structural H16C4N16O8H16C4N16O8H16C4N16O8
_chemical_formula_sum "H48 C12 N48 O24"
_cell_length_a 15.64905994
_cell_length_b 38.084928149999996
_cell_length_c 9.453627849999998
_cell_angle_alpha 88.65347747000001
_cell_angle_beta 54.19426781999998... |
SuperCellAction | 2f0021b9-416e-4709-bb78-8c768da5de62 | mp-1193732 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te32 Pd16 Pb32 Cl32 O96"
_cell_length_a 11.108722
_cell_length_b 16.635188
_cell_length_c 26.60943... |
SuperCellAction | fbc3f424-0f6d-403e-8728-9d3a94df3d2e | mp-29829 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Li4Au4S4
_chemical_formula_sum "Li4 Au4 S4"
_cell_length_a 6.36289158
_cell_length_b 6.36289199
_cell_length_c 7.21163204
_cell_angle_alpha 116.47822777999998
_cell_angle_beta 116.47822393999999
_cell_angle_gamma 89.38917855000001
... | data_image0
_chemical_formula_structural Li4Au4S4Li4Au4S4Li4Au4S4Li4Au4S4
_chemical_formula_sum "Li16 Au16 S16"
_cell_length_a 25.45156632
_cell_length_b 6.36289199
_cell_length_c 7.21163204
_cell_angle_alpha 116.47822777999998
_cell_angle_beta 116.47822393999999
_cell_angle_... |
SuperCellAction | c4d52a69-d7f0-4109-a271-305bcbe3d749 | mp-1031226 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_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 RbMg6TiO8RbMg6TiO8RbMg6TiO8
_chemical_formula_sum "Rb3 Mg18 Ti3 O24"
_cell_length_a 25.974889230000002
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 01e7a993-ef91-4ed0-82ec-2afe099a6ee3 | mp-29226 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... | data_image0
_chemical_formula_structural Ca9Ga12O27Ca9Ga12O27Ca9Ga12O27Ca9Ga12O27
_chemical_formula_sum "Ca36 Ga48 O108"
_cell_length_a 44.23474736
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98... |
SuperCellAction | 208c1d95-9691-4855-ba8d-d5defe80fdaf | mp-531661 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39Nd10Ti12O39
_chemical_formula_sum "Nd20 Ti24 O78"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 25.06129192
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.926138... |
SuperCellAction | 7d1fd0ab-bcd4-4e38-8069-6d78601b196a | mp-27330 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural La3Os2O10
_chemical_formula_sum "La3 Os2 O10"
_cell_length_a 5.62184173
_cell_length_b 5.62184182
_cell_length_c 6.940714679999999
_cell_angle_alpha 107.87126291
_cell_angle_beta 107.8712631
_cell_angle_gamma 90.60547313999999
_spa... | data_image0
_chemical_formula_structural La3Os2O10La3Os2O10La3Os2O10La3Os2O10La3Os2O10La3Os2O10
_chemical_formula_sum "La18 Os12 O60"
_cell_length_a 11.24368346
_cell_length_b 5.62184182
_cell_length_c 20.822144039999998
_cell_angle_alpha 107.87126291
_cell_angle_beta 107.871... |
SuperCellAction | d7b981f9-04e2-40f4-9d66-c4c8625b44df | mp-685992 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Li8Cr4Cl16
_chemical_formula_sum "Li8 Cr4 Cl16"
_cell_length_a 7.228764
_cell_length_b 7.42284197
_cell_length_c 12.83742393
_cell_angle_alpha 78.00485524
_cell_angle_beta 74.78317196
_cell_angle_gamma 62.50011299999999
_space_grou... | data_image0
_chemical_formula_structural Li8Cr4Cl16Li8Cr4Cl16Li8Cr4Cl16Li8Cr4Cl16
_chemical_formula_sum "Li32 Cr16 Cl64"
_cell_length_a 7.228764
_cell_length_b 29.69136788
_cell_length_c 12.83742393
_cell_angle_alpha 78.00485524
_cell_angle_beta 74.78317196
_cell_angle_gamma ... |
SuperCellAction | 1c245bb8-a8b5-4d4c-a86e-954202fa554b | mp-1198379 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural U8Cl8O40
_chemical_formula_sum "U8 Cl8 O40"
_cell_length_a 5.916021
_cell_length_b 11.02909539
_cell_length_c 19.22433123
_cell_angle_alpha 103.30643445999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U8Cl8O40U8Cl8O40U8Cl8O40U8Cl8O40U8Cl8O40U8Cl8O40U8Cl8O40U8Cl8O40
_chemical_formula_sum "U64 Cl64 O320"
_cell_length_a 23.664084
_cell_length_b 11.02909539
_cell_length_c 38.44866246
_cell_angle_alpha 103.30643445999999
_cell_angle_beta ... |
SuperCellAction | cf6cbdb1-3a99-44eb-8ac7-e4f8af3c30db | mp-779456 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 Y8Re4O20Y8Re4O20
_chemical_formula_sum "Y16 Re8 O40"
_cell_length_a 16.99677214
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SuperCellAction | 4c195d60-9303-4351-8b39-ce792735c1ca | mp-29057 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb3SBr7Nb3SBr7Nb3SBr7Nb3SBr7Nb3SBr7Nb3SBr7
_chemical_formula_sum "Nb18 S6 Br42"
_cell_length_a 7.17997263
_cell_length_b 14.35994508
_cell_length_c 19.638509820000003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 12... |
SuperCellAction | dde88108-0202-4ea8-a4b1-aa0f2e55895a | mp-2503 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8Pd14Se8Pd14Se8Pd14Se8
_chemical_formula_sum "Pd56 Se32"
_cell_length_a 10.61739518
_cell_length_b 14.07475012
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283... |
SuperCellAction | 19300adf-07e6-4972-8cb6-1046c181b11e | mp-1343823 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Ca4Ta2Sb2O12
_chemical_formula_sum "Ca4 Ta2 Sb2 O12"
_cell_length_a 8.036065
_cell_length_b 5.719254
_cell_length_c 5.9235469
_cell_angle_alpha 89.03685924
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4Ta2Sb2O12Ca4Ta2Sb2O12Ca4Ta2Sb2O12Ca4Ta2Sb2O12
_chemical_formula_sum "Ca16 Ta8 Sb8 O48"
_cell_length_a 8.036065
_cell_length_b 22.877016
_cell_length_c 5.9235469
_cell_angle_alpha 89.03685924
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | c7619f48-8481-44cf-99cf-e4561c593cc8 | mp-1191448 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... | data_image0
_chemical_formula_structural Co2I4O16Co2I4O16Co2I4O16Co2I4O16
_chemical_formula_sum "Co8 I16 O64"
_cell_length_a 4.66295458
_cell_length_b 13.339129
_cell_length_c 20.11476222
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641... |
SuperCellAction | dccf7563-181c-4402-a2a0-8a008e183977 | mp-1225420 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Fe3W4N8
_chemical_formula_sum "Fe3 W4 N8"
_cell_length_a 10.79563324
_cell_length_b 10.79563324
_cell_length_c 4.999819900000001
_cell_angle_alpha 78.12233291
_cell_angle_beta 78.12233291
_cell_angle_gamma 15.285989940000006
_space... | data_image0
_chemical_formula_structural Fe3W4N8Fe3W4N8Fe3W4N8Fe3W4N8
_chemical_formula_sum "Fe12 W16 N32"
_cell_length_a 21.59126648
_cell_length_b 21.59126648
_cell_length_c 4.999819900000001
_cell_angle_alpha 78.12233291
_cell_angle_beta 78.12233291
_cell_angle_gamma 15... |
SuperCellAction | c4907874-4fc4-4788-920c-ed5a4e74f9fa | mp-1044670 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... | data_image0
_chemical_formula_structural Zn2Ag4O8Zn2Ag4O8Zn2Ag4O8Zn2Ag4O8Zn2Ag4O8Zn2Ag4O8
_chemical_formula_sum "Zn12 Ag24 O48"
_cell_length_a 18.91753257
_cell_length_b 6.30584419
_cell_length_c 12.61168872
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.365550540000... |
SuperCellAction | bcb01df7-8683-4a06-9327-1b248cd1e411 | mp-1110571 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6Na3CrF6Na3CrF6Na3CrF6Na3CrF6Na3CrF6
_chemical_formula_sum "Na18 Cr6 F36"
_cell_length_a 17.39916
_cell_length_b 5.79972013
_cell_length_c 11.59944076
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma ... |
SuperCellAction | 8a55e285-9ed9-4848-96d6-e152f655c99d | mp-558102 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O10K2Li2Si4O10
_chemical_formula_sum "K4 Li4 Si8 O20"
_cell_length_a 4.874509
_cell_length_b 12.1694
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SuperCellAction | e677112e-74ba-4f7e-b875-211d951216a7 | mp-1219949 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16Pr2AlFe16
_chemical_formula_sum "Pr16 Al8 Fe128"
_cell_length_a 25.88863904
_cell_length_b 12.94431952
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cel... |
SuperCellAction | 78bfe998-53a6-4a84-a4bf-8e39afd4a081 | mp-1201394 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural K8Zn4H32N16
_chemical_formula_sum "K8 Zn4 H32 N16"
_cell_length_a 7.330377
_cell_length_b 7.71889881
_cell_length_c 13.45082991
_cell_angle_alpha 106.05557938
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Zn4H32N16K8Zn4H32N16K8Zn4H32N16K8Zn4H32N16
_chemical_formula_sum "K32 Zn16 H128 N64"
_cell_length_a 7.330377
_cell_length_b 7.71889881
_cell_length_c 53.80331964
_cell_angle_alpha 106.05557938
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | e3e54002-61fe-4871-9ca9-b41d39a59bfe | mp-18953 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Na2V2O4F4
_chemical_formula_sum "Na2 V2 O4 F4"
_cell_length_a 3.575516
_cell_length_b 6.56286279
_cell_length_c 7.32158901
_cell_angle_alpha 110.04631364
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na2V2O4F4Na2V2O4F4Na2V2O4F4Na2V2O4F4Na2V2O4F4Na2V2O4F4
_chemical_formula_sum "Na12 V12 O24 F24"
_cell_length_a 3.575516
_cell_length_b 13.12572558
_cell_length_c 21.96476703
_cell_angle_alpha 110.04631364
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | aa48d6c0-bf6b-4c45-bd5b-9356c869f1dd | mp-580525 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 Dy12Ni12Sn24Dy12Ni12Sn24Dy12Ni12Sn24Dy12Ni12Sn24Dy12Ni12Sn24Dy12Ni12Sn24
_chemical_formula_sum "Dy72 Ni72 Sn144"
_cell_length_a 8.882426
_cell_length_b 43.941798
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | 39a008ce-7eea-4f84-90d4-652e33a7cf85 | mp-1105973 | Create a supercell with the size 4×2×1. | 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 Sc4Ag4Se8Sc4Ag4Se8Sc4Ag4Se8Sc4Ag4Se8Sc4Ag4Se8Sc4Ag4Se8Sc4Ag4Se8Sc4Ag4Se8
_chemical_formula_sum "Sc32 Ag32 Se64"
_cell_length_a 15.98295992
_cell_length_b 13.5629485
_cell_length_c 13.21755954
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | b689882e-146f-443e-9e3b-46dbd6c724d8 | mp-1228192 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... | data_image0
_chemical_formula_structural Al8Si4Mo6Al8Si4Mo6Al8Si4Mo6Al8Si4Mo6Al8Si4Mo6Al8Si4Mo6
_chemical_formula_sum "Al48 Si24 Mo36"
_cell_length_a 14.4117039
_cell_length_b 4.803901299999999
_cell_length_c 26.91894834
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054... |
SuperCellAction | 128a1895-3e16-4f8a-92f5-4baa9a03a1b2 | mp-774885 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural V3CrCo2P6O24
_chemical_formula_sum "V3 Cr1 Co2 P6 O24"
_cell_length_a 8.50726384
_cell_length_b 8.50726384
_cell_length_c 8.50726429
_cell_angle_alpha 60.766009279999984
_cell_angle_beta 60.766009279999984
_cell_angle_gamma 60.76600... | data_image0
_chemical_formula_structural V3CrCo2P6O24V3CrCo2P6O24V3CrCo2P6O24V3CrCo2P6O24V3CrCo2P6O24V3CrCo2P6O24V3CrCo2P6O24V3CrCo2P6O24
_chemical_formula_sum "V24 Cr8 Co16 P48 O192"
_cell_length_a 17.01452768
_cell_length_b 8.50726384
_cell_length_c 34.02905716
_cell_angle_alpha ... |
SuperCellAction | c96f349a-7a79-49e1-b9e8-306bc95c4dc4 | mp-787524 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Li8Fe2W6O24
_chemical_formula_sum "Li8 Fe2 W6 O24"
_cell_length_a 5.11933652
_cell_length_b 10.195318270000001
_cell_length_c 10.09545099
_cell_angle_alpha 60.32184485
_cell_angle_beta 90.65949022
_cell_angle_gamma 90.32099601
_spa... | data_image0
_chemical_formula_structural Li8Fe2W6O24Li8Fe2W6O24Li8Fe2W6O24Li8Fe2W6O24Li8Fe2W6O24Li8Fe2W6O24Li8Fe2W6O24Li8Fe2W6O24
_chemical_formula_sum "Li64 Fe16 W48 O192"
_cell_length_a 10.23867304
_cell_length_b 10.195318270000001
_cell_length_c 40.38180396
_cell_angle_alpha 6... |
SuperCellAction | 1dfd3e46-48c5-485f-9015-643ef4c0829b | mp-2217353 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Ba2MgBi2O6
_chemical_formula_sum "Ba2 Mg1 Bi2 O6"
_cell_length_a 6.19601964
_cell_length_b 6.19601946
_cell_length_c 7.51072299
_cell_angle_alpha 64.56155273
_cell_angle_beta 64.56155424
_cell_angle_gamma 61.34173851
_space_group_n... | data_image0
_chemical_formula_structural Ba2MgBi2O6Ba2MgBi2O6Ba2MgBi2O6Ba2MgBi2O6Ba2MgBi2O6Ba2MgBi2O6Ba2MgBi2O6Ba2MgBi2O6
_chemical_formula_sum "Ba16 Mg8 Bi16 O48"
_cell_length_a 12.39203928
_cell_length_b 12.39203892
_cell_length_c 15.02144598
_cell_angle_alpha 64.56155273
_cell... |
SuperCellAction | 77fd5987-365a-464f-b2a8-c8c5c4aea9b2 | mp-1234726 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.37459148
_cell_length_b 5.317915359999999
_cell_length_c 11.582483039999998
_cell_angle_alpha 89.02297118
_cell_angle_beta 87.61815172
_cell_angle_gamma 93.09989270999... | data_image0
_chemical_formula_structural MgFe8O8F8MgFe8O8F8MgFe8O8F8MgFe8O8F8MgFe8O8F8MgFe8O8F8
_chemical_formula_sum "Mg6 Fe48 O48 F48"
_cell_length_a 16.123774440000002
_cell_length_b 10.635830719999998
_cell_length_c 11.582483039999998
_cell_angle_alpha 89.02297118
_cell_angle... |
SuperCellAction | a659d829-803c-4e40-9d10-e278706c43be | mp-18051 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... | data_image0
_chemical_formula_structural La8Ti4O20La8Ti4O20La8Ti4O20La8Ti4O20
_chemical_formula_sum "La32 Ti16 O80"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 45.76372776
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma ... |
SuperCellAction | 69375e98-04c4-4f8f-9072-32f271e39505 | mp-1020027 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li16P8O28Li16P8O28Li16P8O28Li16P8O28
_chemical_formula_sum "Li64 P32 O112"
_cell_length_a 21.202012
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SuperCellAction | 598fe154-414f-4d30-8c02-d0863775b031 | mp-1214552 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural Ba8Cu6Si40Ba8Cu6Si40Ba8Cu6Si40Ba8Cu6Si40Ba8Cu6Si40Ba8Cu6Si40
_chemical_formula_sum "Ba48 Cu36 Si240"
_cell_length_a 20.68724992
_cell_length_b 31.030882619999996
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta ... |
SuperCellAction | eb936e6f-4c9c-4b67-ab96-48e91f35155e | mp-1191101 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural K4Mg4B4O12
_chemical_formula_sum "K4 Mg4 B4 O12"
_cell_length_a 6.908451
_cell_length_b 6.908451
_cell_length_c 6.908451
_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 K4Mg4B4O12K4Mg4B4O12K4Mg4B4O12K4Mg4B4O12K4Mg4B4O12K4Mg4B4O12
_chemical_formula_sum "K24 Mg24 B24 O72"
_cell_length_a 13.816902
_cell_length_b 20.725353000000002
_cell_length_c 6.908451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 529b8af8-01bb-49dc-ad2a-4ee1fe5b6c38 | mp-1210838 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mg2P2H12N2O10Mg2P2H12N2O10Mg2P2H12N2O10Mg2P2H12N2O10
_chemical_formula_sum "Mg8 P8 H48 N8 O40"
_cell_length_a 5.398913
_cell_length_b 14.361218
_cell_length_c 20.56529
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | e379e28a-4bbf-4fd0-8abd-c92ce56d7a37 | mp-1079648 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural U2Ge4Rh4U2Ge4Rh4U2Ge4Rh4U2Ge4Rh4
_chemical_formula_sum "U8 Ge16 Rh16"
_cell_length_a 16.817812
_cell_length_b 4.204453
_cell_length_c 10.180361
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 2bfd54b3-b478-4054-bb2d-cdcf0a6b24df | mp-1238837 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B24H24B24H24
_chemical_formula_sum "B48 H48"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 21.65768782
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_grou... |
SuperCellAction | 4b2a08d7-a408-4eaf-be9c-397ebda3d82b | mp-1205925 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_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 Sm4In2Au4Sm4In2Au4Sm4In2Au4Sm4In2Au4Sm4In2Au4Sm4In2Au4Sm4In2Au4Sm4In2Au4
_chemical_formula_sum "Sm32 In16 Au32"
_cell_length_a 8.02911356
_cell_length_b 32.11645424
_cell_length_c 7.60637938
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | 2cb12e69-24d9-4387-8910-986d0df95400 | mp-1110571 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6Na3CrF6Na3CrF6Na3CrF6Na3CrF6Na3CrF6
_chemical_formula_sum "Na18 Cr6 F36"
_cell_length_a 11.59944
_cell_length_b 5.79972013
_cell_length_c 17.39916114
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma ... |
SuperCellAction | db8fe230-4b3d-4cce-ac76-e6fd0783bcce | mp-1202750 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P12Ru19Nd5P12Ru19Nd5P12Ru19Nd5P12Ru19Nd5P12Ru19Nd5P12Ru19Nd5P12Ru19Nd5P12Ru19
_chemical_formula_sum "Nd40 P96 Ru152"
_cell_length_a 50.50770856
_cell_length_b 12.62692714
_cell_length_c 8.028364
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 10698811-28b7-4049-be9c-e680904f1eb1 | mp-1101922 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Eu4Fe8Eu4Fe8Eu4Fe8
_chemical_formula_sum "Eu12 Fe24"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 25.608798
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt ... |
SuperCellAction | 222d69e9-01e6-45ba-8d33-a10e94b69693 | mp-1246013 | Create a supercell with the size 1x2x2. | 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 V2C3N6V2C3N6V2C3N6V2C3N6
_chemical_formula_sum "V8 C12 N24"
_cell_length_a 8.61995063
_cell_length_b 6.06700602
_cell_length_c 9.9316322
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_... |
SuperCellAction | 5690d6ef-4fa5-4943-a58d-93acd5767c55 | mp-1180291 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... | data_image0
_chemical_formula_structural MnFe2P2O18MnFe2P2O18MnFe2P2O18MnFe2P2O18MnFe2P2O18MnFe2P2O18MnFe2P2O18MnFe2P2O18
_chemical_formula_sum "Mn8 Fe16 P16 O144"
_cell_length_a 21.301728
_cell_length_b 14.44031814
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_a... |
SuperCellAction | 441f43df-823a-45bd-a821-80658a55726b | mp-3792 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Y4Al4O12
_chemical_formula_sum "Y4 Al4 O12"
_cell_length_a 5.17603105
_cell_length_b 5.31735851
_cell_length_c 7.37249317
_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 Y4Al4O12Y4Al4O12Y4Al4O12Y4Al4O12Y4Al4O12Y4Al4O12Y4Al4O12Y4Al4O12
_chemical_formula_sum "Y32 Al32 O96"
_cell_length_a 5.17603105
_cell_length_b 10.63471702
_cell_length_c 29.48997268
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 7f333145-d24c-48a6-84cf-d084f0b4de39 | mp-607917 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12La21Fe8Sn7C12La21Fe8Sn7C12La21Fe8Sn7C12
_chemical_formula_sum "La84 Fe32 Sn28 C48"
_cell_length_a 46.57425
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 5... |
SuperCellAction | 063cf43c-5768-469d-9000-85f045381bd2 | mp-2228789 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 6.93682881
_cell_length_b 15.10297566
_cell_length_c 3.10243694
_cell_angle_alpha 90.08972542
_cell_angle_beta 90.08295703
_cell_angle_gamma 135.01619084
_space_group_n... | data_image0
_chemical_formula_structural MgFe6O6F6MgFe6O6F6MgFe6O6F6MgFe6O6F6
_chemical_formula_sum "Mg4 Fe24 O24 F24"
_cell_length_a 6.93682881
_cell_length_b 60.41190264
_cell_length_c 3.10243694
_cell_angle_alpha 90.08972542
_cell_angle_beta 90.08295703
_cell_angle_gamma ... |
SuperCellAction | dd0cc61a-6f92-409e-832d-6fbf10a31a20 | mp-2232136 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... | data_image0
_chemical_formula_structural K2RbTbMgV2O8K2RbTbMgV2O8K2RbTbMgV2O8K2RbTbMgV2O8
_chemical_formula_sum "K8 Rb4 Tb4 Mg4 V8 O32"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 33.53374936
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | f7d91c56-4453-4961-880c-9e92ade6904c | mp-804134 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Li5Ni3Sb2O10
_chemical_formula_sum "Li5 Ni3 Sb2 O10"
_cell_length_a 5.23986
_cell_length_b 5.36264358
_cell_length_c 7.922721919999999
_cell_angle_alpha 106.90686584
_cell_angle_beta 102.75707066000001
_cell_angle_gamma 101.80098846... | data_image0
_chemical_formula_structural Li5Ni3Sb2O10Li5Ni3Sb2O10Li5Ni3Sb2O10Li5Ni3Sb2O10Li5Ni3Sb2O10Li5Ni3Sb2O10Li5Ni3Sb2O10Li5Ni3Sb2O10
_chemical_formula_sum "Li40 Ni24 Sb16 O80"
_cell_length_a 5.23986
_cell_length_b 10.72528716
_cell_length_c 31.690887679999996
_cell_angle_alpha ... |
SuperCellAction | 61eee9e2-8949-4ac0-b45b-98fd5f8868a1 | mp-1233214 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Ba2Y2MgFe4O10
_chemical_formula_sum "Ba2 Y2 Mg1 Fe4 O10"
_cell_length_a 3.868654
_cell_length_b 8.214905
_cell_length_c 8.698939
_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 Ba2Y2MgFe4O10Ba2Y2MgFe4O10Ba2Y2MgFe4O10Ba2Y2MgFe4O10
_chemical_formula_sum "Ba8 Y8 Mg4 Fe16 O40"
_cell_length_a 3.868654
_cell_length_b 32.85962
_cell_length_c 8.698939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | f236781f-5fe9-4769-9d3a-95dde219477c | mp-850933 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2
_chemical_formula_sum "Fe64 O112 F16"
_cell_length_a 7.3298373
_cell_length_b 29.3193492
_cell_length_c 12.883128
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 1dcfbf20-9de9-44d7-80b1-5b835c0e5087 | mp-776026 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_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 Li8Fe8F24Li8Fe8F24Li8Fe8F24Li8Fe8F24Li8Fe8F24Li8Fe8F24Li8Fe8F24Li8Fe8F24
_chemical_formula_sum "Li64 Fe64 F192"
_cell_length_a 17.623038
_cell_length_b 35.246076
_cell_length_c 6.203392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | fe4698f8-35dc-4b13-96b0-2300b841363b | mp-1208177 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U8Co2U8Co2U8Co2U8Co2U8Co2U8Co2U8Co2U8Co2
_chemical_formula_sum "U64 Co16"
_cell_length_a 6.73577333
_cell_length_b 13.47154666
_cell_length_c 26.94309332
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angl... |
SuperCellAction | 2cd9bb0b-7f81-4057-b3c0-32187f722e18 | mp-1219042 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural SmMn5Co7
_chemical_formula_sum "Sm1 Mn5 Co7"
_cell_length_a 6.34837552
_cell_length_b 6.34837552
_cell_length_c 6.34837552
_cell_angle_alpha 137.60390248999997
_cell_angle_beta 97.53482762
_cell_angle_gamma 97.49096846
_space_group... | data_image0
_chemical_formula_structural SmMn5Co7SmMn5Co7SmMn5Co7SmMn5Co7SmMn5Co7SmMn5Co7SmMn5Co7SmMn5Co7
_chemical_formula_sum "Sm8 Mn40 Co56"
_cell_length_a 25.39350208
_cell_length_b 12.69675104
_cell_length_c 6.34837552
_cell_angle_alpha 137.60390248999997
_cell_angle_beta ... |
SuperCellAction | bf7a2c75-44d4-4925-a69e-6eb873d58c26 | mp-1026556 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CrCMg14CrCMg14CrC
_chemical_formula_sum "Mg42 Cr3 C3"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 29.048549639999997
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_spac... |
SuperCellAction | 6d2dabeb-5bb0-4c7f-9f4e-40b5d35f6396 | mp-3380 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural La4Rh4C8La4Rh4C8La4Rh4C8La4Rh4C8
_chemical_formula_sum "La16 Rh16 C32"
_cell_length_a 15.965164
_cell_length_b 3.991291
_cell_length_c 15.419415
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | b95a1783-9316-404a-b6e7-3ba67662d28a | mp-570405 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_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 Ti4Hg24P16Cl28Ti4Hg24P16Cl28Ti4Hg24P16Cl28Ti4Hg24P16Cl28
_chemical_formula_sum "Ti16 Hg96 P64 Cl112"
_cell_length_a 24.093588
_cell_length_b 24.093588
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 82a48576-f335-42a6-b696-872b5de90813 | mp-19489 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40Sm4Co4B20O40
_chemical_formula_sum "Sm8 Co8 B40 O80"
_cell_length_a 15.309026
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 334fb270-d192-4438-942f-3a4acb1e9789 | mp-1197276 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural La14I6O36
_chemical_formula_sum "La14 I6 O36"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La14I6O36La14I6O36La14I6O36La14I6O36
_chemical_formula_sum "La56 I24 O144"
_cell_length_a 16.40249444
_cell_length_b 65.60997776
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000001779999... |
SuperCellAction | adc2d9da-dcda-4099-a3ed-648af1a7f4bf | mp-1205145 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_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 Na8Ti4Si16H8O52Na8Ti4Si16H8O52Na8Ti4Si16H8O52
_chemical_formula_sum "Na24 Ti12 Si48 H24 O156"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 49.59079199999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 3678d146-f14b-4902-9428-332da24c14f3 | mp-1177530 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16Li4Mn2Ni3Sn3O16Li4Mn2Ni3Sn3O16Li4Mn2Ni3Sn3O16Li4Mn2Ni3Sn3O16Li4Mn2Ni3Sn3O16Li4Mn2Ni3Sn3O16Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li32 Mn16 Ni24 Sn24 O128"
_cell_length_a 6.03544694
_cell_length_b 12.07089388
_cell_length_c 38.1... |
SuperCellAction | 14806c48-7496-4da4-83b3-5d1aaf5a03d7 | mp-19484 | Create a supercell with the size 2*2*1. | 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 Ba4Ca4V8O28Ba4Ca4V8O28Ba4Ca4V8O28Ba4Ca4V8O28
_chemical_formula_sum "Ba16 Ca16 V32 O112"
_cell_length_a 11.743886
_cell_length_b 15.230092
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | 60a12425-bc0c-4eb7-baeb-42bdeadaa177 | mp-1237178 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... | data_image0
_chemical_formula_structural Hf3NiF6Hf3NiF6Hf3NiF6
_chemical_formula_sum "Hf9 Ni3 F18"
_cell_length_a 20.46551862
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.255391... |
SuperCellAction | 7c49e01c-8d85-450f-ab23-954f56ec7fc9 | mp-11609 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4
_chemical_formula_sum "Sb16 Mo32 S32"
_cell_length_a 6.40695126
_cell_length_b 6.55778366
_cell_length_c 37.93036424
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
... |
SuperCellAction | b52e39d5-739f-408c-8097-7a2199211026 | mp-752908 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Li6Ni5O10
_chemical_formula_sum "Li6 Ni5 O10"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_group... | data_image0
_chemical_formula_structural Li6Ni5O10Li6Ni5O10Li6Ni5O10Li6Ni5O10
_chemical_formula_sum "Li24 Ni20 O40"
_cell_length_a 10.347684
_cell_length_b 11.27193062
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gam... |
SuperCellAction | 22369b97-1d6a-4f8a-a6fb-754e62c6f4ee | mp-1224446 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8Hf3TaFe8Hf3TaFe8Hf3TaFe8Hf3TaFe8Hf3TaFe8Hf3TaFe8Hf3TaFe8
_chemical_formula_sum "Hf24 Ta8 Fe64"
_cell_length_a 4.94351674
_cell_length_b 19.77406892
_cell_length_c 16.1251399
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.999... |
SuperCellAction | 4d77b4dc-f1af-4777-adec-43cc449511b3 | mp-1234927 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural MgFe8O14F2
_chemical_formula_sum "Mg1 Fe8 O14 F2"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.09013924
... | data_image0
_chemical_formula_structural MgFe8O14F2MgFe8O14F2
_chemical_formula_sum "Mg2 Fe16 O28 F4"
_cell_length_a 10.34636046
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 1... |
SuperCellAction | bf2d8dc0-87cd-4b3f-9eed-7c0bc1f6ca90 | mp-2230845 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural MgTi2Si4O12
_chemical_formula_sum "Mg1 Ti2 Si4 O12"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001
_space... | data_image0
_chemical_formula_structural MgTi2Si4O12MgTi2Si4O12MgTi2Si4O12MgTi2Si4O12
_chemical_formula_sum "Mg4 Ti8 Si16 O48"
_cell_length_a 6.63563542
_cell_length_b 26.54253992
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle... |
SuperCellAction | 0d96e481-b408-45ab-ba7d-68b0171803d7 | mp-27741 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te4Au4I4Te4Au4I4
_chemical_formula_sum "Te8 Au8 I8"
_cell_length_a 14.60854448
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name... |
SuperCellAction | ef4fb538-bd6d-4abd-9e7c-58d968646133 | mp-600038 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 Si10O20Si10O20Si10O20Si10O20Si10O20Si10O20
_chemical_formula_sum "Si60 O120"
_cell_length_a 13.81934545
_cell_length_b 13.8211673
_cell_length_c 19.25699664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 2dcd8f1f-64ff-4cfb-acb2-3cf65d802fe1 | mp-28179 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta4Cl24Na4Ta4Cl24
_chemical_formula_sum "Na8 Ta8 Cl48"
_cell_length_a 13.81457312
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
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