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 | e16f417e-0749-4e62-9b41-02eea184b343 | mp-758066 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Li4V6P8O28
_chemical_formula_sum "Li4 V6 P8 O28"
_cell_length_a 5.338507
_cell_length_b 6.625273469999999
_cell_length_c 16.03223444
_cell_angle_alpha 81.67600264000001
_cell_angle_beta 83.46847737
_cell_angle_gamma 72.26610188
_sp... | data_image0
_chemical_formula_structural Li4V6P8O28Li4V6P8O28Li4V6P8O28Li4V6P8O28Li4V6P8O28Li4V6P8O28
_chemical_formula_sum "Li24 V36 P48 O168"
_cell_length_a 5.338507
_cell_length_b 19.87582041
_cell_length_c 32.06446888
_cell_angle_alpha 81.67600264000001
_cell_angle_beta 8... |
SuperCellAction | a85b30d7-d8b3-4055-9e67-e917f15fdba3 | mp-753702 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Li4V4Si4O16
_chemical_formula_sum "Li4 V4 Si4 O16"
_cell_length_a 4.97352403
_cell_length_b 9.243516709999998
_cell_length_c 6.241561
_cell_angle_alpha 89.99882645000001
_cell_angle_beta 90.00073469
_cell_angle_gamma 97.01219666
_s... | data_image0
_chemical_formula_structural Li4V4Si4O16Li4V4Si4O16Li4V4Si4O16Li4V4Si4O16Li4V4Si4O16Li4V4Si4O16Li4V4Si4O16Li4V4Si4O16
_chemical_formula_sum "Li32 V32 Si32 O128"
_cell_length_a 19.89409612
_cell_length_b 18.487033419999996
_cell_length_c 6.241561
_cell_angle_alpha 89.9... |
SuperCellAction | 35f2c753-7893-4396-8162-07b1e63d4c28 | mp-696283 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... | data_image0
_chemical_formula_structural H8S8N12O2H8S8N12O2H8S8N12O2H8S8N12O2H8S8N12O2H8S8N12O2H8S8N12O2H8S8N12O2
_chemical_formula_sum "H64 S64 N96 O16"
_cell_length_a 19.23022636
_cell_length_b 9.61511318
_cell_length_c 28.39927248
_cell_angle_alpha 75.06927197
_cell_angle_beta... |
SuperCellAction | fe059d54-5d31-4338-aa62-c8cd41c6a789 | mp-1096809 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Al8Zn4S16
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_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 Al8Zn4S16Al8Zn4S16Al8Zn4S16Al8Zn4S16Al8Zn4S16Al8Zn4S16Al8Zn4S16Al8Zn4S16
_chemical_formula_sum "Al64 Zn32 S128"
_cell_length_a 23.642176
_cell_length_b 7.22181
_cell_length_c 24.949972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 72b977a2-15c9-4f7a-884f-b86411697c61 | mp-754713 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Al8Cr4O20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400000... | data_image0
_chemical_formula_structural Al8Cr4O20Al8Cr4O20Al8Cr4O20Al8Cr4O20Al8Cr4O20Al8Cr4O20Al8Cr4O20Al8Cr4O20
_chemical_formula_sum "Al64 Cr32 O160"
_cell_length_a 20.23315104
_cell_length_b 7.185476969999999
_cell_length_c 20.4987647
_cell_angle_alpha 74.62419369000001
_cell... |
SuperCellAction | 8886818c-96a8-4b0f-ba33-e109b7163b7d | mp-2240560 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6MgTiCo2O6
_chemical_formula_sum "Mg2 Ti2 Co4 O12"
_cell_length_a 13.47373174
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma ... |
SuperCellAction | 23bec4b2-30e1-4bdb-aa7d-8231e5776786 | mp-1320208 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... | data_image0
_chemical_formula_structural Ba4Y2Cr6O14Ba4Y2Cr6O14Ba4Y2Cr6O14Ba4Y2Cr6O14Ba4Y2Cr6O14Ba4Y2Cr6O14
_chemical_formula_sum "Ba24 Y12 Cr36 O84"
_cell_length_a 11.24468918
_cell_length_b 37.34568882
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta ... |
SuperCellAction | d2295618-55e0-4c49-92b0-37d80af85f46 | mp-556409 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20Ba7Ca2Mn5O20Ba7Ca2Mn5O20Ba7Ca2Mn5O20Ba7Ca2Mn5O20Ba7Ca2Mn5O20Ba7Ca2Mn5O20Ba7Ca2Mn5O20
_chemical_formula_sum "Ba56 Ca16 Mn40 O160"
_cell_length_a 71.0213054
_cell_length_b 35.5106527
_cell_length_c 17.75532621
_cell_angle_alpha 1... |
SuperCellAction | fa1ceb20-219f-4ad4-bbc1-bc643257ae1e | mp-768771 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Li12Bi4B8O24
_chemical_formula_sum "Li12 Bi4 B8 O24"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li12Bi4B8O24Li12Bi4B8O24Li12Bi4B8O24Li12Bi4B8O24Li12Bi4B8O24Li12Bi4B8O24Li12Bi4B8O24Li12Bi4B8O24
_chemical_formula_sum "Li96 Bi32 B64 O192"
_cell_length_a 9.188294
_cell_length_b 10.64256
_cell_length_c 48.02003092000001
_cell_angle_alpha ... |
SuperCellAction | 15de938e-a42b-4b64-b7b5-5d663b79f5bd | mp-1377792 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Mg4V2Ir2O12
_chemical_formula_sum "Mg4 V2 Ir2 O12"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg4V2Ir2O12Mg4V2Ir2O12Mg4V2Ir2O12Mg4V2Ir2O12Mg4V2Ir2O12Mg4V2Ir2O12Mg4V2Ir2O12Mg4V2Ir2O12
_chemical_formula_sum "Mg32 V16 Ir16 O96"
_cell_length_a 21.101876
_cell_length_b 10.230522
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_c... |
SuperCellAction | 5458c3ab-faf5-4a7e-9692-d30a0dc41603 | mp-764815 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Li3Fe8B8O24
_chemical_formula_sum "Li3 Fe8 B8 O24"
_cell_length_a 5.255842
_cell_length_b 5.27095882
_cell_length_c 20.07931436
_cell_angle_alpha 90.31009899
_cell_angle_beta 90.40631797
_cell_angle_gamma 119.25181349
_space_group_... | data_image0
_chemical_formula_structural Li3Fe8B8O24Li3Fe8B8O24Li3Fe8B8O24Li3Fe8B8O24Li3Fe8B8O24Li3Fe8B8O24Li3Fe8B8O24Li3Fe8B8O24
_chemical_formula_sum "Li24 Fe64 B64 O192"
_cell_length_a 21.023368
_cell_length_b 10.54191764
_cell_length_c 20.07931436
_cell_angle_alpha 90.3100989... |
SuperCellAction | 8e61441a-e123-444c-823c-f74bf98dbe43 | mp-3887 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16Li24Ga8N16Li24Ga8N16Li24Ga8N16
_chemical_formula_sum "Li96 Ga32 N64"
_cell_length_a 16.57398152
_cell_length_b 16.57401012
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angl... |
SuperCellAction | ad201806-979b-402f-9fa4-0fb460ed5408 | mp-1210568 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Lu12Co4Sn2
_chemical_formula_sum "Lu12 Co4 Sn2"
_cell_length_a 8.12214077
_cell_length_b 8.12212615
_cell_length_c 8.12215372
_cell_angle_alpha 111.34907923
_cell_angle_beta 109.57515188
_cell_angle_gamma 107.51213659
_space_group_... | data_image0
_chemical_formula_structural Lu12Co4Sn2Lu12Co4Sn2Lu12Co4Sn2Lu12Co4Sn2Lu12Co4Sn2Lu12Co4Sn2Lu12Co4Sn2Lu12Co4Sn2
_chemical_formula_sum "Lu96 Co32 Sn16"
_cell_length_a 32.48856308
_cell_length_b 16.2442523
_cell_length_c 8.12215372
_cell_angle_alpha 111.34907923
_cell_ang... |
SuperCellAction | 5d82f5cf-4e9b-415b-a901-e48e7eebab9f | mp-1356795 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn6Bi4P4O24Zn6Bi4P4O24Zn6Bi4P4O24Zn6Bi4P4O24Zn6Bi4P4O24Zn6Bi4P4O24
_chemical_formula_sum "Zn36 Bi24 P24 O144"
_cell_length_a 5.253354
_cell_length_b 23.815683
_cell_length_c 24.088782
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0... |
SuperCellAction | 57042167-6c45-41f2-89c4-320ea042e4a6 | mp-1027815 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14CoKMg14CoKMg14CoKMg14CoKMg14CoKMg14CoKMg14CoKMg14Co
_chemical_formula_sum "K8 Mg112 Co8"
_cell_length_a 12.6669883
_cell_length_b 6.33349365
_cell_length_c 41.94655948
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | a05dd076-9331-4aad-8a8d-eca91cbd670e | mp-18292 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La8Mn2S12O2La8Mn2S12O2La8Mn2S12O2La8Mn2S12O2La8Mn2S12O2La8Mn2S12O2
_chemical_formula_sum "La48 Mn12 S72 O12"
_cell_length_a 28.524163799999997
_cell_length_b 9.5080546
_cell_length_c 13.731882
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | f7be84f1-77da-4323-8ea3-26e75e2ef6a9 | mp-1210133 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28Na4Ga4P8O28Na4Ga4P8O28Na4Ga4P8O28
_chemical_formula_sum "Na16 Ga16 P32 O112"
_cell_length_a 15.84613
_cell_length_b 7.374088
_cell_length_c 19.14866572
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 2ed829fd-6c89-4320-aa05-1541ceef1bf2 | mp-1233053 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural MgV8O8F8MgV8O8F8MgV8O8F8MgV8O8F8MgV8O8F8MgV8O8F8
_chemical_formula_sum "Mg6 V48 O48 F48"
_cell_length_a 9.85263174
_cell_length_b 31.568689080000002
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.0936... |
SuperCellAction | ea6abc92-f572-4f26-9c81-4b5d99b50790 | mp-27888 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Zr3GeO8
_chemical_formula_sum "Zr3 Ge1 O8"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group_... | data_image0
_chemical_formula_structural Zr3GeO8Zr3GeO8Zr3GeO8Zr3GeO8Zr3GeO8Zr3GeO8
_chemical_formula_sum "Zr18 Ge6 O48"
_cell_length_a 5.01459289
_cell_length_b 10.0291769
_cell_length_c 19.00254957
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gam... |
SuperCellAction | 39b5aec0-91dd-4a80-9e99-894256db3b61 | mp-1176929 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6P16O58Li12V6P16O58
_chemical_formula_sum "Li24 V12 P32 O116"
_cell_length_a 9.79348461
_cell_length_b 19.59163832
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60... |
SuperCellAction | e674e7aa-41c9-4c11-8a53-ed242e2fade8 | mp-639682 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 7.19367919
_cell_length_b 7.19367919
_cell_length_c 12.12717244
_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 Si10O20Si10O20Si10O20Si10O20
_chemical_formula_sum "Si40 O80"
_cell_length_a 7.19367919
_cell_length_b 7.19367919
_cell_length_c 48.50868976
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SuperCellAction | a95ba29f-3877-4b84-9da0-245145a9ea4b | mp-757139 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... | data_image0
_chemical_formula_structural Li6TiMn3P6O24Li6TiMn3P6O24Li6TiMn3P6O24Li6TiMn3P6O24Li6TiMn3P6O24Li6TiMn3P6O24Li6TiMn3P6O24Li6TiMn3P6O24
_chemical_formula_sum "Li48 Ti8 Mn24 P48 O192"
_cell_length_a 17.240074
_cell_length_b 34.62640372
_cell_length_c 8.76631981
_cell_angle_... |
SuperCellAction | 1e89ece3-14fb-43ec-916a-ae8871e1f614 | mp-1099221 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural CsMg6BO7
_chemical_formula_sum "Cs1 Mg6 B1 O7"
_cell_length_a 4.876208
_cell_length_b 4.876208
_cell_length_c 7.931088
_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 CsMg6BO7CsMg6BO7
_chemical_formula_sum "Cs2 Mg12 B2 O14"
_cell_length_a 4.876208
_cell_length_b 9.752416
_cell_length_c 7.931088
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | cca9b445-c307-4edf-b143-fc15fd6bf6b0 | mp-1043461 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Ni4Sb4P8O36
_chemical_formula_sum "Ni4 Sb4 P8 O36"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_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 Ni4Sb4P8O36Ni4Sb4P8O36Ni4Sb4P8O36Ni4Sb4P8O36Ni4Sb4P8O36Ni4Sb4P8O36
_chemical_formula_sum "Ni24 Sb24 P48 O216"
_cell_length_a 12.797042
_cell_length_b 7.881027
_cell_length_c 42.209496
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 53858d06-48d2-4047-85f9-7464e48abf0e | mp-2231769 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural MgMn2Se4O12
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_space_... | data_image0
_chemical_formula_structural MgMn2Se4O12MgMn2Se4O12MgMn2Se4O12MgMn2Se4O12
_chemical_formula_sum "Mg4 Mn8 Se16 O48"
_cell_length_a 10.88924898
_cell_length_b 13.78931778
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell... |
SuperCellAction | fc8cca22-2c04-4d4b-a807-0aee5c868cbf | mp-1213688 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Cs4Ca4I12
_chemical_formula_sum "Cs4 Ca4 I12"
_cell_length_a 8.57588159
_cell_length_b 8.78260577
_cell_length_c 12.28814489
_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 Cs4Ca4I12Cs4Ca4I12Cs4Ca4I12Cs4Ca4I12Cs4Ca4I12Cs4Ca4I12
_chemical_formula_sum "Cs24 Ca24 I72"
_cell_length_a 17.15176318
_cell_length_b 8.78260577
_cell_length_c 36.86443467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 086ee43f-7c1b-4bcd-ae73-f5083ffcf632 | mp-1227253 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24
_chemical_formula_sum "Ca8 U24 Ti64 O192"
_cell_length_a 30.01896
_cell_length_b 15.71564788
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_ang... |
SuperCellAction | 9dc5e510-4844-42a7-8fab-4a8ac2426b08 | mp-561179 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba8Cu4I4O8Ba8Cu4I4O8Ba8Cu4I4O8Ba8Cu4I4O8Ba8Cu4I4O8Ba8Cu4I4O8Ba8Cu4I4O8Ba8Cu4I4O8
_chemical_formula_sum "Ba64 Cu32 I32 O64"
_cell_length_a 4.44409499
_cell_length_b 44.34179708
_cell_length_c 28.261244040000005
_cell_angle_alpha 88.26392371... |
SuperCellAction | e01d8c19-506d-4e34-9392-7f6ddff11eca | mp-559041 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4Tl2Mo4Cl14O4
_chemical_formula_sum "Tl4 Mo8 Cl28 O8"
_cell_length_a 14.534038
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377... |
SuperCellAction | ec64b730-6399-4bd8-a1a9-14a41eaa7912 | mp-761710 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Li2Fe2Co2O8
_chemical_formula_sum "Li2 Fe2 Co2 O8"
_cell_length_a 5.84785554
_cell_length_b 5.847855770000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.157337
_cell_angle_gamma 59.184920010000006
... | data_image0
_chemical_formula_structural Li2Fe2Co2O8Li2Fe2Co2O8Li2Fe2Co2O8Li2Fe2Co2O8Li2Fe2Co2O8Li2Fe2Co2O8
_chemical_formula_sum "Li12 Fe12 Co12 O48"
_cell_length_a 17.54356662
_cell_length_b 11.695711540000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_... |
SuperCellAction | 32ac8a99-585d-4020-8b4a-98e0f1b292e3 | mp-22385 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural NpAl8Fe4
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_space... | data_image0
_chemical_formula_structural NpAl8Fe4NpAl8Fe4NpAl8Fe4NpAl8Fe4NpAl8Fe4NpAl8Fe4NpAl8Fe4NpAl8Fe4
_chemical_formula_sum "Np8 Al64 Fe32"
_cell_length_a 13.34502418
_cell_length_b 26.69004836
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta ... |
SuperCellAction | 7f01b36a-2e8e-466c-9518-a8af66d2c951 | mp-2713621 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na72 Zr24 Ti24 Si48 P24 O288"
_cell_length_a 15.70059751
_cell_length_b 27.250025880000003
_cell_length_c 18.0... |
SuperCellAction | 23625be5-cc71-4b01-b046-9891a13af7f8 | mp-759955 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.937069
_cell_length_b 6.03219996
_cell_length_c 15.07458003
_cell_angle_alpha 80.25103232000001
_cell_angle_beta 85.17375532
_cell_angle_gamma 60.75174218
_space_g... | data_image0
_chemical_formula_structural Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8
_chemical_formula_sum "Li96 V64 O128 F64"
_cell_length_a 11.874138
_cell_length_b 6.03219996
_cell_length_c 60.29832012
_cell_angle_alpha 80.251032320... |
SuperCellAction | b992ccb9-4ae0-4603-adeb-29a76a88346e | mp-1377792 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Mg4V2Ir2O12
_chemical_formula_sum "Mg4 V2 Ir2 O12"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg4V2Ir2O12Mg4V2Ir2O12Mg4V2Ir2O12Mg4V2Ir2O12
_chemical_formula_sum "Mg16 V8 Ir8 O48"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 36.15404808
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | c43275f1-efcc-4474-a8a3-7e050478685e | mp-1174544 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 2.944711
_cell_length_b 5.1004160800000005
_cell_length_c 17.2736048
_cell_angle_alpha 95.32903194999999
_cell_angle_beta 88.82123337
_cell_angle_gamma 105.12908574... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14
_chemical_formula_sum "Li64 Mn16 Co32 O112"
_cell_length_a 5.889422
_cell_length_b 5.1004160800000005
_cell_length_c 69.0944192
_cell_angle_alpha... |
SuperCellAction | 338f340a-e015-4c39-a1c5-b04f0fb92db3 | mp-733581 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Pr8H8Se16O48
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_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 Pr8H8Se16O48Pr8H8Se16O48Pr8H8Se16O48Pr8H8Se16O48
_chemical_formula_sum "Pr32 H32 Se64 O192"
_cell_length_a 28.32619324
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 2a371e22-8ecb-4fd3-8023-d3c4e51a9ef5 | mp-532718 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_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 Ca6Nd6Mn12O36Ca6Nd6Mn12O36Ca6Nd6Mn12O36Ca6Nd6Mn12O36
_chemical_formula_sum "Ca24 Nd24 Mn48 O144"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 30.810032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 0b4f6b2c-5646-4cbd-ab4f-3f104dcc370d | mp-756218 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Li2V2Cr2O8
_chemical_formula_sum "Li2 V2 Cr2 O8"
_cell_length_a 5.84010577
_cell_length_b 5.83504027
_cell_length_c 5.77845652
_cell_angle_alpha 91.6471868
_cell_angle_beta 120.44420644
_cell_angle_gamma 59.70630936
_space_group_na... | data_image0
_chemical_formula_structural Li2V2Cr2O8Li2V2Cr2O8Li2V2Cr2O8Li2V2Cr2O8Li2V2Cr2O8Li2V2Cr2O8Li2V2Cr2O8Li2V2Cr2O8
_chemical_formula_sum "Li16 V16 Cr16 O64"
_cell_length_a 23.36042308
_cell_length_b 5.83504027
_cell_length_c 11.55691304
_cell_angle_alpha 91.6471868
_cell_a... |
SuperCellAction | cf43acfe-418d-400e-8dc1-67b16dc72deb | mp-23792 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18
_chemical_formula_sum "Na12 Ca24 Si36 H12 O108"
_cell_length_a 7.090316
_cell_length_b 14.23248068
_cell_length_c 24.256855740000002
_cell_angle_alpha 95.... |
SuperCellAction | e9706942-2479-4f97-adf3-9183a4dfe459 | mp-754356 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Na10Mn4P4C4O28
_chemical_formula_sum "Na10 Mn4 P4 C4 O28"
_cell_length_a 6.63058431
_cell_length_b 10.56808174
_cell_length_c 10.433935000000002
_cell_angle_alpha 119.59234913
_cell_angle_beta 88.81323704
_cell_angle_gamma 90.146987... | data_image0
_chemical_formula_structural Na10Mn4P4C4O28Na10Mn4P4C4O28
_chemical_formula_sum "Na20 Mn8 P8 C8 O56"
_cell_length_a 13.26116862
_cell_length_b 10.56808174
_cell_length_c 10.433935000000002
_cell_angle_alpha 119.59234913
_cell_angle_beta 88.81323704
_cell_angle_gam... |
SuperCellAction | 690364d6-4038-4810-b6b7-0c70d0b7ba17 | mp-1213037 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_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 K4Li4As4K4Li4As4
_chemical_formula_sum "K8 Li8 As8"
_cell_length_a 8.623174
_cell_length_b 12.867966
_cell_length_c 14.594449
_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 | 827a6f36-205d-4ef4-ae64-28ee8ad463d1 | mp-1193391 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Co2P2N2O20
_chemical_formula_sum "Co2 P2 N2 O20"
_cell_length_a 7.846009
_cell_length_b 4.907373
_cell_length_c 12.329286
_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 Co2P2N2O20Co2P2N2O20Co2P2N2O20Co2P2N2O20Co2P2N2O20Co2P2N2O20Co2P2N2O20Co2P2N2O20
_chemical_formula_sum "Co16 P16 N16 O160"
_cell_length_a 7.846009
_cell_length_b 9.814746
_cell_length_c 49.317144
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 4a2fe5ea-f6c3-4346-8c4f-794dc9d04494 | mp-759392 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Li8Mn4F20
_chemical_formula_sum "Li8 Mn4 F20"
_cell_length_a 5.136198
_cell_length_b 7.41645
_cell_length_c 9.929168740000001
_cell_angle_alpha 70.28427604000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Mn4F20Li8Mn4F20Li8Mn4F20
_chemical_formula_sum "Li24 Mn12 F60"
_cell_length_a 5.136198
_cell_length_b 22.24935
_cell_length_c 9.929168740000001
_cell_angle_alpha 70.28427604
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | dbceeca2-0d52-4bc7-8a4c-a5dbf869e858 | mp-755952 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural VCu3P4O16
_chemical_formula_sum "V1 Cu3 P4 O16"
_cell_length_a 5.911984
_cell_length_b 4.853885
_cell_length_c 9.78967238
_cell_angle_alpha 89.39078934
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural VCu3P4O16VCu3P4O16VCu3P4O16VCu3P4O16
_chemical_formula_sum "V4 Cu12 P16 O64"
_cell_length_a 11.823968
_cell_length_b 4.853885
_cell_length_c 19.57934476
_cell_angle_alpha 89.39078934
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | 16be7276-3096-479c-994d-8c1d94691255 | mp-1172905 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6
_chemical_formula_sum "Ag24 Bi24 S48"
_cell_length_a 8.09688194
_cell_length_b 8.09688194
_cell_length_c 38.220554
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | a5f33470-ec5d-41a3-9f51-14a7119080aa | mp-1198564 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Eu12Cu12Ge12
_chemical_formula_sum "Eu12 Cu12 Ge12"
_cell_length_a 4.500955
_cell_length_b 7.637562
_cell_length_c 22.479168
_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 Eu12Cu12Ge12Eu12Cu12Ge12Eu12Cu12Ge12Eu12Cu12Ge12Eu12Cu12Ge12Eu12Cu12Ge12Eu12Cu12Ge12Eu12Cu12Ge12
_chemical_formula_sum "Eu96 Cu96 Ge96"
_cell_length_a 9.00191
_cell_length_b 15.275124
_cell_length_c 44.958336
_cell_angle_alpha 90.0
_cell_a... |
SuperCellAction | e4a14389-4760-4a72-8f36-001fa83ad114 | mp-1033833 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg6O7CsRbMg6O7
_chemical_formula_sum "Cs2 Rb2 Mg12 O14"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 10.231077079999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_sp... |
SuperCellAction | f0b2be61-3272-45fe-a9db-7823888a8c7a | mp-1220828 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O48F8Nb16Pb12O48F8Nb16Pb12O48F8Nb16Pb12O48F8
_chemical_formula_sum "Nb64 Pb48 O192 F32"
_cell_length_a 25.83739714
_cell_length_b 12.91869857
_cell_length_c 15.168486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | c5d3f7f4-988e-4dc7-891e-cc70bc0b7839 | mp-1197275 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Tb8Fe56C4
_chemical_formula_sum "Tb8 Fe56 C4"
_cell_length_a 8.729041
_cell_length_b 8.729041
_cell_length_c 11.772369
_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 Tb8Fe56C4Tb8Fe56C4
_chemical_formula_sum "Tb16 Fe112 C8"
_cell_length_a 8.729041
_cell_length_b 8.729041
_cell_length_c 23.544738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SuperCellAction | 5fc130d8-fe31-43e6-8939-773cd624ad1c | mp-1039781 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural NaMg30WO32
_chemical_formula_sum "Na1 Mg30 W1 O32"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_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 NaMg30WO32NaMg30WO32NaMg30WO32NaMg30WO32NaMg30WO32NaMg30WO32
_chemical_formula_sum "Na6 Mg180 W6 O192"
_cell_length_a 17.131332
_cell_length_b 8.565666
_cell_length_c 25.68054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | d007cf77-bb0a-4be0-87f5-1d72c313cda5 | mp-866658 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural H16RhN5Cl6O3
_chemical_formula_sum "H16 Rh1 N5 Cl6 O3"
_cell_length_a 9.33784635
_cell_length_b 9.33784635
_cell_length_c 9.33784639
_cell_angle_alpha 43.55420994000001
_cell_angle_beta 43.55420994
_cell_angle_gamma 43.5542098099999... | data_image0
_chemical_formula_structural H16RhN5Cl6O3H16RhN5Cl6O3H16RhN5Cl6O3H16RhN5Cl6O3H16RhN5Cl6O3H16RhN5Cl6O3
_chemical_formula_sum "H96 Rh6 N30 Cl36 O18"
_cell_length_a 28.01353905
_cell_length_b 18.6756927
_cell_length_c 9.33784639
_cell_angle_alpha 43.55420994000001
_cell_... |
SuperCellAction | 6542d102-a5ae-4704-a895-94884b91217b | mp-1224552 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Ho4NiSn8
_chemical_formula_sum "Ho4 Ni1 Sn8"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_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 Ho4NiSn8Ho4NiSn8Ho4NiSn8Ho4NiSn8Ho4NiSn8Ho4NiSn8Ho4NiSn8Ho4NiSn8
_chemical_formula_sum "Ho32 Ni8 Sn64"
_cell_length_a 17.56398
_cell_length_b 4.397435
_cell_length_c 33.776098
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | ca5908d6-e8e2-48ec-b8a1-626727707dee | mp-1200515 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... | data_image0
_chemical_formula_structural Tb20Si16Tb20Si16Tb20Si16Tb20Si16Tb20Si16Tb20Si16Tb20Si16Tb20Si16
_chemical_formula_sum "Tb160 Si128"
_cell_length_a 29.95596036
_cell_length_b 7.70841404
_cell_length_c 29.28577838
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 9... |
SuperCellAction | 0720c454-2e2d-40db-b4ef-2491277162c5 | mp-1205091 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural K4B24F24
_chemical_formula_sum "K4 B24 F24"
_cell_length_a 8.36979153
_cell_length_b 8.36979153
_cell_length_c 11.53401593
_cell_angle_alpha 88.54504346999998
_cell_angle_beta 88.54504346999998
_cell_angle_gamma 120.21922669999998
... | data_image0
_chemical_formula_structural K4B24F24K4B24F24K4B24F24K4B24F24K4B24F24K4B24F24
_chemical_formula_sum "K24 B144 F144"
_cell_length_a 8.36979153
_cell_length_b 16.73958306
_cell_length_c 34.60204779
_cell_angle_alpha 88.54504346999998
_cell_angle_beta 88.545043469999... |
SuperCellAction | 90e9a0dd-8f12-4c43-8837-4aff86b5da35 | mp-621667 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Eu6Ag4Eu6Ag4Eu6Ag4Eu6Ag4
_chemical_formula_sum "Eu24 Ag16"
_cell_length_a 4.3545106
_cell_length_b 16.86930144
_cell_length_c 16.86935668
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | d1076b14-05da-4631-9a16-33d245be506f | mp-1305321 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 3.05235613
_cell_length_b 14.693265340000002
_cell_length_c 5.06606481
_cell_angle_alpha 81.73800875
_cell_angle_beta 86.33348749
_cell_angle_gamma 86.62612284000001
_... | data_image0
_chemical_formula_structural Li8Mn4O8F4Li8Mn4O8F4Li8Mn4O8F4Li8Mn4O8F4Li8Mn4O8F4Li8Mn4O8F4
_chemical_formula_sum "Li48 Mn24 O48 F24"
_cell_length_a 9.157068390000001
_cell_length_b 14.693265340000002
_cell_length_c 10.13212962
_cell_angle_alpha 81.73800875
_cell_angle_... |
SuperCellAction | 9ea50185-f984-4d02-9056-b6f02272e1f2 | mp-1042364 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Ca8Ta8Bi8O40
_chemical_formula_sum "Ca8 Ta8 Bi8 O40"
_cell_length_a 5.630171
_cell_length_b 11.515526
_cell_length_c 16.534408
_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 Ca8Ta8Bi8O40Ca8Ta8Bi8O40Ca8Ta8Bi8O40Ca8Ta8Bi8O40Ca8Ta8Bi8O40Ca8Ta8Bi8O40
_chemical_formula_sum "Ca48 Ta48 Bi48 O240"
_cell_length_a 5.630171
_cell_length_b 34.546578
_cell_length_c 33.068816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | f78e3198-a74a-4284-bde3-40ab644f693a | mp-1218449 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12
_chemical_formula_sum "Sr12 Ca36 Ir12 O72"
_cell_length_a 6.682358
_cell_length_b 13.364716
_cell_length_c 20.165022719999996
_cell_angle_alpha 89.13156517
_cell_angl... |
SuperCellAction | 6509b41b-0e06-4a65-a9e8-0ce6021f66e3 | mp-2219699 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural K2MgRe2O8
_chemical_formula_sum "K2 Mg1 Re2 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_gr... | data_image0
_chemical_formula_structural K2MgRe2O8K2MgRe2O8K2MgRe2O8K2MgRe2O8K2MgRe2O8K2MgRe2O8
_chemical_formula_sum "K12 Mg6 Re12 O48"
_cell_length_a 11.09099122
_cell_length_b 6.37898571
_cell_length_c 23.948350800000004
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.... |
SuperCellAction | df9ae174-cbe7-462b-bf28-fedb8d627bed | mp-777965 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Na4Ti11O24
_chemical_formula_sum "Na4 Ti11 O24"
_cell_length_a 10.50339217
_cell_length_b 10.50339217
_cell_length_c 6.15520938
_cell_angle_alpha 73.95641705
_cell_angle_beta 73.95641705
_cell_angle_gamma 119.97407326000001
_space_... | data_image0
_chemical_formula_structural Na4Ti11O24Na4Ti11O24Na4Ti11O24Na4Ti11O24Na4Ti11O24Na4Ti11O24Na4Ti11O24Na4Ti11O24
_chemical_formula_sum "Na32 Ti88 O192"
_cell_length_a 42.01356868
_cell_length_b 21.00678434
_cell_length_c 6.15520938
_cell_angle_alpha 73.95641705
_cell_ang... |
SuperCellAction | 181e3dd1-6214-47da-9121-c363141c2974 | mp-1218473 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Sr3CaCu2O6
_chemical_formula_sum "Sr3 Ca1 Cu2 O6"
_cell_length_a 6.80543418
_cell_length_b 6.80543418
_cell_length_c 6.96655439
_cell_angle_alpha 75.182527
_cell_angle_beta 75.182527
_cell_angle_gamma 33.62898998999999
_space_group... | data_image0
_chemical_formula_structural Sr3CaCu2O6Sr3CaCu2O6Sr3CaCu2O6Sr3CaCu2O6
_chemical_formula_sum "Sr12 Ca4 Cu8 O24"
_cell_length_a 6.80543418
_cell_length_b 6.80543418
_cell_length_c 27.86621756
_cell_angle_alpha 75.182527
_cell_angle_beta 75.182527
_cell_angle_gamma ... |
SuperCellAction | fa01b6e1-086d-454e-bcde-8cf5f1983081 | mp-2230615 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... | data_image0
_chemical_formula_structural MgCo5SnO12MgCo5SnO12MgCo5SnO12MgCo5SnO12
_chemical_formula_sum "Mg4 Co20 Sn4 O48"
_cell_length_a 10.3359645
_cell_length_b 10.1245717
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_ang... |
SuperCellAction | 1f044630-7acd-445b-aeff-8d32b5bb3efb | mp-1209541 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Se3N3O12
_chemical_formula_sum "Se3 N3 O12"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... | data_image0
_chemical_formula_structural Se3N3O12Se3N3O12Se3N3O12Se3N3O12Se3N3O12Se3N3O12Se3N3O12Se3N3O12
_chemical_formula_sum "Se24 N24 O96"
_cell_length_a 9.26032011
_cell_length_b 37.04128044
_cell_length_c 11.37765204
_cell_angle_alpha 82.87290882000002
_cell_angle_beta ... |
SuperCellAction | c507416d-d9aa-427c-afa5-e69b4e6f2a6f | mp-1209106 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Sb8Cl2O12
_chemical_formula_sum "Sb8 Cl2 O12"
_cell_length_a 9.8282001
_cell_length_b 9.8282001
_cell_length_c 10.9813657
_cell_angle_alpha 69.18075124000002
_cell_angle_beta 69.18075124000002
_cell_angle_gamma 24.235533709999995
_... | data_image0
_chemical_formula_structural Sb8Cl2O12Sb8Cl2O12Sb8Cl2O12Sb8Cl2O12Sb8Cl2O12Sb8Cl2O12Sb8Cl2O12Sb8Cl2O12
_chemical_formula_sum "Sb64 Cl16 O96"
_cell_length_a 39.3128004
_cell_length_b 19.6564002
_cell_length_c 10.9813657
_cell_angle_alpha 69.18075124000002
_cell_angle_be... |
SuperCellAction | f4d22b75-cfe9-4141-9d36-3146d675ca74 | mp-1518830 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural K4Ba4Tb4Bi4O24
_chemical_formula_sum "K4 Ba4 Tb4 Bi4 O24"
_cell_length_a 8.74178874
_cell_length_b 8.70938544
_cell_length_c 8.75197493
_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 K4Ba4Tb4Bi4O24K4Ba4Tb4Bi4O24
_chemical_formula_sum "K8 Ba8 Tb8 Bi8 O48"
_cell_length_a 17.48357748
_cell_length_b 8.70938544
_cell_length_c 8.75197493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 0dc5e927-6fda-400c-9450-80b6a07b3219 | mp-1047828 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Mg2Mn8O18
_chemical_formula_sum "Mg2 Mn8 O18"
_cell_length_a 8.490018
_cell_length_b 8.490018
_cell_length_c 4.787582
_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 Mg2Mn8O18Mg2Mn8O18Mg2Mn8O18Mg2Mn8O18
_chemical_formula_sum "Mg8 Mn32 O72"
_cell_length_a 8.490018
_cell_length_b 33.960072
_cell_length_c 4.787582
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | f72bde3b-66fd-4f22-9a79-9640058c5ad3 | mp-1205734 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Y2Re4Si2C2
_chemical_formula_sum "Y2 Re4 Si2 C2"
_cell_length_a 5.80737617
_cell_length_b 5.807376170000001
_cell_length_c 7.317291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.13848847999995
_space_group_name... | data_image0
_chemical_formula_structural Y2Re4Si2C2Y2Re4Si2C2Y2Re4Si2C2Y2Re4Si2C2Y2Re4Si2C2Y2Re4Si2C2Y2Re4Si2C2Y2Re4Si2C2
_chemical_formula_sum "Y16 Re32 Si16 C16"
_cell_length_a 5.80737617
_cell_length_b 11.614752340000003
_cell_length_c 29.269164
_cell_angle_alpha 90.0
_cell_an... |
SuperCellAction | 89453319-1e46-474c-b4b1-0233415f2069 | mp-559790 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural K4Nb6Cl14O10
_chemical_formula_sum "K4 Nb6 Cl14 O10"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999
_spa... | data_image0
_chemical_formula_structural K4Nb6Cl14O10K4Nb6Cl14O10K4Nb6Cl14O10K4Nb6Cl14O10K4Nb6Cl14O10K4Nb6Cl14O10
_chemical_formula_sum "K24 Nb36 Cl84 O60"
_cell_length_a 19.3133693
_cell_length_b 9.65668465
_cell_length_c 33.95201675999999
_cell_angle_alpha 69.91254741
_cell_ang... |
SuperCellAction | 4ce877f7-8807-4bc4-8a4a-fc788618dc95 | mp-2209216 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Li16Zn4Ge6
_chemical_formula_sum "Li16 Zn4 Ge6"
_cell_length_a 9.14862888
_cell_length_b 9.14862888
_cell_length_c 9.14862899
_cell_angle_alpha 48.211775040000006
_cell_angle_beta 48.211775040000006
_cell_angle_gamma 48.21177448
_s... | data_image0
_chemical_formula_structural Li16Zn4Ge6Li16Zn4Ge6Li16Zn4Ge6
_chemical_formula_sum "Li48 Zn12 Ge18"
_cell_length_a 9.14862888
_cell_length_b 27.445886639999998
_cell_length_c 9.14862899
_cell_angle_alpha 48.211775040000006
_cell_angle_beta 48.211775040000006
_cell_... |
SuperCellAction | f7215189-732b-497e-85b1-363d97d68e0b | mp-1221055 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31NaMg2Al6VSi6B3H3O31NaMg2Al6VSi6B3H3O31NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na4 Mg8 Al24 V4 Si24 B12 H12 O124"
_cell_length_a 38.4580804
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.427357... |
SuperCellAction | 7a4d4585-a43f-4a1d-ac97-99d5194233b3 | mp-850962 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Li6Fe12Si12O48
_chemical_formula_sum "Li6 Fe12 Si12 O48"
_cell_length_a 10.90735927
_cell_length_b 10.90735927
_cell_length_c 11.848258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_... | data_image0
_chemical_formula_structural Li6Fe12Si12O48Li6Fe12Si12O48Li6Fe12Si12O48
_chemical_formula_sum "Li18 Fe36 Si36 O144"
_cell_length_a 32.72207781
_cell_length_b 10.90735927
_cell_length_c 11.848258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119... |
SuperCellAction | f9b01bb3-e3cc-4b00-88e1-6ae897bef9fc | mp-1202398 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Ge4C16N4Cl12
_chemical_formula_sum "Ge4 C16 N4 Cl12"
_cell_length_a 8.123458
_cell_length_b 8.500134
_cell_length_c 12.085114
_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 Ge4C16N4Cl12Ge4C16N4Cl12Ge4C16N4Cl12Ge4C16N4Cl12Ge4C16N4Cl12Ge4C16N4Cl12Ge4C16N4Cl12Ge4C16N4Cl12
_chemical_formula_sum "Ge32 C128 N32 Cl96"
_cell_length_a 32.493832
_cell_length_b 17.000268
_cell_length_c 12.085114
_cell_angle_alpha 90.0
_... |
SuperCellAction | d33c32fa-9241-44e3-9b0f-5b0cd8e747c3 | mp-1246294 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Dy2Mg2Ti2S8
_chemical_formula_sum "Dy2 Mg2 Ti2 S8"
_cell_length_a 7.75151795
_cell_length_b 7.607206660000001
_cell_length_c 7.60030167
_cell_angle_alpha 58.66867511000001
_cell_angle_beta 59.36751187
_cell_angle_gamma 59.34563601
... | data_image0
_chemical_formula_structural Dy2Mg2Ti2S8Dy2Mg2Ti2S8Dy2Mg2Ti2S8Dy2Mg2Ti2S8
_chemical_formula_sum "Dy8 Mg8 Ti8 S32"
_cell_length_a 15.5030359
_cell_length_b 7.607206660000001
_cell_length_c 15.20060334
_cell_angle_alpha 58.66867511000001
_cell_angle_beta 59.36751187... |
SuperCellAction | 056e642e-2cb3-41b5-8ab8-e6ab922fcea5 | mp-554002 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al2H6O6Al2H6O6Al2H6O6Al2H6O6Al2H6O6Al2H6O6
_chemical_formula_sum "Al12 H36 O36"
_cell_length_a 4.959562
_cell_length_b 15.44423964
_cell_length_c 10.39116964
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma... |
SuperCellAction | 6bec6eb9-e3b4-432a-a32e-a05bd464779c | mp-765804 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Li6VF8
_chemical_formula_sum "Li6 V1 F8"
_cell_length_a 5.93882439
_cell_length_b 5.93882439
_cell_length_c 5.93882439
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Li6VF8Li6VF8
_chemical_formula_sum "Li12 V2 F16"
_cell_length_a 11.87764878
_cell_length_b 5.93882439
_cell_length_c 5.93882439
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
SuperCellAction | c686bb4e-5eac-4f86-8088-eb375561ad63 | mp-1250606 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma 100... | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16Ca4Al2H20Cl2O16Ca4Al2H20Cl2O16Ca4Al2H20Cl2O16Ca4Al2H20Cl2O16Ca4Al2H20Cl2O16Ca4Al2H20Cl2O16Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca32 Al16 H160 Cl16 O128"
_cell_length_a 21.48579558
_cell_length_b 35.43241152
_cell_length_c 8.8... |
SuperCellAction | 77b708ee-923b-42f4-8c82-63b1d19b4275 | mp-2216235 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural MgBi4P8O28
_chemical_formula_sum "Mg1 Bi4 P8 O28"
_cell_length_a 9.23606738
_cell_length_b 5.248148989999999
_cell_length_c 13.60261934
_cell_angle_alpha 89.69533841
_cell_angle_beta 103.8476226
_cell_angle_gamma 90.14299218999999
... | data_image0
_chemical_formula_structural MgBi4P8O28MgBi4P8O28
_chemical_formula_sum "Mg2 Bi8 P16 O56"
_cell_length_a 9.23606738
_cell_length_b 5.248148989999999
_cell_length_c 27.20523868
_cell_angle_alpha 89.69533841
_cell_angle_beta 103.8476226
_cell_angle_gamma 90.14299... |
SuperCellAction | 73f4436a-5442-463b-85cd-2d6f1157449a | mp-554749 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P18Ir6O54P18Ir6O54P18Ir6O54P18Ir6O54
_chemical_formula_sum "P72 Ir24 O216"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 46.4984088
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma ... |
SuperCellAction | 17608715-d3cb-4090-ba37-9c71c781f9b8 | mp-1040209 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural KMg30GaO32
_chemical_formula_sum "K1 Mg30 Ga1 O32"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural KMg30GaO32KMg30GaO32KMg30GaO32
_chemical_formula_sum "K3 Mg90 Ga3 O96"
_cell_length_a 8.606815
_cell_length_b 25.820445
_cell_length_c 8.552012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | d17256da-8bfd-40f4-b2d0-bde1da7f416d | mp-19408 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Li4V8O20
_chemical_formula_sum "Li4 V8 O20"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_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 Li4V8O20Li4V8O20Li4V8O20Li4V8O20
_chemical_formula_sum "Li16 V32 O80"
_cell_length_a 7.284284
_cell_length_b 19.78216
_cell_length_c 11.118627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | be47d49a-ddab-4568-9f74-3cf577582211 | mp-9750 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Sb2P2O10
_chemical_formula_sum "Sb2 P2 O10"
_cell_length_a 5.26815699
_cell_length_b 5.268157899999999
_cell_length_c 7.05433983
_cell_angle_alpha 106.36092716
_cell_angle_beta 106.36092178999999
_cell_angle_gamma 99.94077481000001
... | data_image0
_chemical_formula_structural Sb2P2O10Sb2P2O10Sb2P2O10Sb2P2O10Sb2P2O10Sb2P2O10Sb2P2O10Sb2P2O10
_chemical_formula_sum "Sb16 P16 O80"
_cell_length_a 5.26815699
_cell_length_b 10.536315799999999
_cell_length_c 28.21735932
_cell_angle_alpha 106.36092716
_cell_angle_beta ... |
SuperCellAction | 4eb709cf-0716-4594-9eb4-8e165c0cf989 | mp-1028096 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Mg14MnSi
_chemical_formula_sum "Mg14 Mn1 Si1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14MnSiMg14MnSiMg14MnSi
_chemical_formula_sum "Mg42 Mn3 Si3"
_cell_length_a 18.62201016
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_... |
SuperCellAction | 7cc52cd1-3835-4fc1-b094-241eec8b3f39 | mp-680113 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Cd11I22
_chemical_formula_sum "Cd11 I22"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd11I22Cd11I22Cd11I22Cd11I22
_chemical_formula_sum "Cd44 I88"
_cell_length_a 8.6877771
_cell_length_b 4.34388855
_cell_length_c 162.074868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_gro... |
SuperCellAction | eaeb2c17-5150-4d1f-8248-e2d51402dcdc | mp-729907 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... | data_image0
_chemical_formula_structural NiH48C16S8N2O14NiH48C16S8N2O14NiH48C16S8N2O14NiH48C16S8N2O14NiH48C16S8N2O14NiH48C16S8N2O14
_chemical_formula_sum "Ni6 H288 C96 S48 N12 O84"
_cell_length_a 29.609436
_cell_length_b 10.48013754
_cell_length_c 22.832496040000002
_cell_angle_alph... |
SuperCellAction | dc4f3f7a-b3ff-4719-8633-7aaccf38bdce | mp-622785 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Fe16S16N16O16
_chemical_formula_sum "Fe16 S16 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Fe16S16N16O16Fe16S16N16O16Fe16S16N16O16Fe16S16N16O16Fe16S16N16O16Fe16S16N16O16
_chemical_formula_sum "Fe96 S96 N96 O96"
_cell_length_a 31.305117
_cell_length_b 22.434008
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999... |
SuperCellAction | 2360081b-7012-4047-bcef-103449ee3592 | mp-1207874 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Y6Si7Ni16Y6Si7Ni16Y6Si7Ni16Y6Si7Ni16
_chemical_formula_sum "Y24 Si28 Ni64"
_cell_length_a 16.6110442
_cell_length_b 8.3055221
_cell_length_c 16.6110442
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_... |
SuperCellAction | 6e13b8d1-b08f-4105-a7fb-27fd2fd861ea | mp-11609 | Create a supercell with the size 1×2×1. | 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 Sb2Mo4S4Sb2Mo4S4
_chemical_formula_sum "Sb4 Mo8 S8"
_cell_length_a 3.20347563
_cell_length_b 13.11556732
_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_al... |
SuperCellAction | ddac64f3-fef3-4c19-b406-ba2f8cff3c37 | mp-861612 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16
_chemical_formula_sum "Cr16 Fe16 P32 O128"
_cell_length_a 5.848363
_cell_length_b 9.674624
_cell_length_c 39.861614
_cell_angle_alpha 88.98505063
_cel... |
SuperCellAction | 4fc5d8de-d9b0-4176-b719-1ea5f99a3565 | mp-661715 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2
_chemical_formula_sum "Ti8 S8 Cl48 O8"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 44.90060108
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gam... |
SuperCellAction | f4af2c90-badb-42b2-a649-bccebd6e4521 | mp-28730 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural In28Cl36
_chemical_formula_sum "In28 Cl36"
_cell_length_a 12.2317628
_cell_length_b 12.2317628
_cell_length_c 12.2317628
_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 In28Cl36In28Cl36In28Cl36In28Cl36In28Cl36In28Cl36In28Cl36In28Cl36
_chemical_formula_sum "In224 Cl288"
_cell_length_a 12.2317628
_cell_length_b 48.9270512
_cell_length_c 24.4635256
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 095caa74-8ff9-4f9a-ad88-142a06981d24 | mp-1245687 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_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 Ta16Te12N8Ta16Te12N8Ta16Te12N8
_chemical_formula_sum "Ta48 Te36 N24"
_cell_length_a 5.530197
_cell_length_b 32.242401
_cell_length_c 15.00584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SuperCellAction | 30259574-9a3b-4a35-b79e-94d6fea9e0a0 | mp-1033461 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_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 BaMg6CrO8BaMg6CrO8BaMg6CrO8BaMg6CrO8BaMg6CrO8BaMg6CrO8BaMg6CrO8BaMg6CrO8
_chemical_formula_sum "Ba8 Mg48 Cr8 O64"
_cell_length_a 8.75022402
_cell_length_b 18.8372798
_cell_length_c 9.4186399
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | b924e4e7-d614-4f7c-9f8a-222e389a7621 | mp-1223543 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural K4H12Se8O24
_chemical_formula_sum "K4 H12 Se8 O24"
_cell_length_a 6.438519
_cell_length_b 6.476977
_cell_length_c 16.205754
_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 K4H12Se8O24K4H12Se8O24
_chemical_formula_sum "K8 H24 Se16 O48"
_cell_length_a 6.438519
_cell_length_b 12.953954
_cell_length_c 16.205754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | d2f3bee9-8b54-4875-8645-db2383696c1c | mp-1176381 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Na4Li2Fe2P2C2O14
_chemical_formula_sum "Na4 Li2 Fe2 P2 C2 O14"
_cell_length_a 5.160677
_cell_length_b 6.65493372
_cell_length_c 8.860766310000002
_cell_angle_alpha 89.02148639
_cell_angle_beta 87.9522642
_cell_angle_gamma 89.8605170... | data_image0
_chemical_formula_structural Na4Li2Fe2P2C2O14Na4Li2Fe2P2C2O14Na4Li2Fe2P2C2O14Na4Li2Fe2P2C2O14
_chemical_formula_sum "Na16 Li8 Fe8 P8 C8 O56"
_cell_length_a 20.642708
_cell_length_b 6.65493372
_cell_length_c 8.860766310000002
_cell_angle_alpha 89.02148639
_cell_angle_b... |
SuperCellAction | 19cbb665-f508-43c4-ad4c-4f2bef5f3013 | mp-1206399 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiVCl6Rb2LiVCl6Rb2LiVCl6Rb2LiVCl6
_chemical_formula_sum "Rb8 Li4 V4 Cl24"
_cell_length_a 7.12508199
_cell_length_b 14.250163979999998
_cell_length_c 12.15245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999... |
SuperCellAction | acc83468-ca8c-489e-a64b-085a5598e710 | mp-1219666 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Rb3Se2O8
_chemical_formula_sum "Rb3 Se2 O8"
_cell_length_a 6.15841454
_cell_length_b 6.15841454
_cell_length_c 8.52826787
_cell_angle_alpha 67.49247653
_cell_angle_beta 67.49247652999999
_cell_angle_gamma 60.11680434000001
_space_g... | data_image0
_chemical_formula_structural Rb3Se2O8Rb3Se2O8Rb3Se2O8
_chemical_formula_sum "Rb9 Se6 O24"
_cell_length_a 18.47524362
_cell_length_b 6.15841454
_cell_length_c 8.52826787
_cell_angle_alpha 67.49247653
_cell_angle_beta 67.49247653
_cell_angle_gamma 60.116804340000... |
SuperCellAction | b31e498e-7c99-4475-a6a6-615d12c96cad | mp-1190028 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Tm3Al9Ni6Tm3Al9Ni6Tm3Al9Ni6Tm3Al9Ni6Tm3Al9Ni6Tm3Al9Ni6
_chemical_formula_sum "Tm18 Al54 Ni36"
_cell_length_a 26.691409229999998
_cell_length_b 17.79427282
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | c8255ab7-f37d-4745-93b4-f6bb829cffdf | mp-1042880 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Zn4Ni6O16
_chemical_formula_sum "Zn4 Ni6 O16"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn4Ni6O16Zn4Ni6O16Zn4Ni6O16Zn4Ni6O16Zn4Ni6O16Zn4Ni6O16Zn4Ni6O16Zn4Ni6O16
_chemical_formula_sum "Zn32 Ni48 O128"
_cell_length_a 11.50716096
_cell_length_b 11.50716096
_cell_length_c 18.376978
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | 4a431daf-93dc-4e39-83e9-43caac075edf | mp-1217245 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Ti3FeBi5O15
_chemical_formula_sum "Ti3 Fe1 Bi5 O15"
_cell_length_a 3.9680035
_cell_length_b 3.9680035
_cell_length_c 20.70600862
_cell_angle_alpha 84.57108651
_cell_angle_beta 84.57108651
_cell_angle_gamma 88.55952303
_space_group_... | data_image0
_chemical_formula_structural Ti3FeBi5O15Ti3FeBi5O15Ti3FeBi5O15Ti3FeBi5O15
_chemical_formula_sum "Ti12 Fe4 Bi20 O60"
_cell_length_a 3.9680035
_cell_length_b 7.936007
_cell_length_c 41.41201724
_cell_angle_alpha 84.57108651
_cell_angle_beta 84.57108651
_cell_angle_g... |
SuperCellAction | 60626749-fa5a-4115-843f-97017042c21e | mp-755643 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Rb6In2O6
_chemical_formula_sum "Rb6 In2 O6"
_cell_length_a 7.06166937
_cell_length_b 7.06166937
_cell_length_c 6.99356755
_cell_angle_alpha 84.12665671
_cell_angle_beta 84.12665671
_cell_angle_gamma 114.54365522
_space_group_name_H... | data_image0
_chemical_formula_structural Rb6In2O6Rb6In2O6Rb6In2O6Rb6In2O6Rb6In2O6Rb6In2O6
_chemical_formula_sum "Rb36 In12 O36"
_cell_length_a 14.12333874
_cell_length_b 7.06166937
_cell_length_c 20.980702649999998
_cell_angle_alpha 84.12665671
_cell_angle_beta 84.12665671
_c... |
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