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 | 2ec1be74-1d34-40f5-8aaf-66e13a833926 | mp-1352636 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... | data_image0
_chemical_formula_structural Y4Cr12O36Y4Cr12O36Y4Cr12O36Y4Cr12O36
_chemical_formula_sum "Y16 Cr48 O144"
_cell_length_a 22.29794
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.... |
SuperCellAction | dfe40789-6289-4827-94ec-b01edfb26f6a | mp-1112917 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Cs2ErCuCl6
_chemical_formula_sum "Cs2 Er1 Cu1 Cl6"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 7.42327063
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2ErCuCl6Cs2ErCuCl6
_chemical_formula_sum "Cs4 Er2 Cu2 Cl12"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 14.84654126
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
SuperCellAction | 882e25fc-7fe9-43a4-842b-0c74297fddc8 | mp-1247259 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N6Ca6Rh2N6Ca6Rh2N6Ca6Rh2N6
_chemical_formula_sum "Ca24 Rh8 N24"
_cell_length_a 7.29271414
_cell_length_b 14.59449022
_cell_length_c 9.91103604
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
... |
SuperCellAction | 4faafe42-29a4-48f0-94af-569f6a0f37b5 | mp-1173764 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na30 Ce18 Ti36 Nb12 O144"
_cell_length_a 11.07707686
_cell_length_b 5.51219945
_cell_length_c 46.563448380000004
_cell_angle_alp... |
SuperCellAction | 1459e812-31ba-4c3f-aa1d-81dd9cd2cd81 | mp-1196133 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural U8P4Cl44O4
_chemical_formula_sum "U8 P4 Cl44 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_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 U8P4Cl44O4U8P4Cl44O4U8P4Cl44O4U8P4Cl44O4
_chemical_formula_sum "U32 P16 Cl176 O16"
_cell_length_a 17.034384
_cell_length_b 8.615967
_cell_length_c 47.1931
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 66c334e9-bb82-4fe0-8875-685a59af101f | mp-1192809 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N12O12Ag4N12O12Ag4N12O12Ag4N12O12Ag4N12O12Ag4N12O12
_chemical_formula_sum "Ag24 N72 O72"
_cell_length_a 18.087843
_cell_length_b 7.930658
_cell_length_c 20.871718
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | cca13aee-7677-4e56-8371-ae013526ec9b | mp-989637 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Ba4Re4N12
_chemical_formula_sum "Ba4 Re4 N12"
_cell_length_a 7.98970704
_cell_length_b 7.98970704
_cell_length_c 6.14392328
_cell_angle_alpha 81.54328597999998
_cell_angle_beta 81.54328597999998
_cell_angle_gamma 91.19638265
_space... | data_image0
_chemical_formula_structural Ba4Re4N12Ba4Re4N12Ba4Re4N12Ba4Re4N12
_chemical_formula_sum "Ba16 Re16 N48"
_cell_length_a 15.97941408
_cell_length_b 7.98970704
_cell_length_c 12.28784656
_cell_angle_alpha 81.54328597999998
_cell_angle_beta 81.54328597999998
_cell_ang... |
SuperCellAction | 48b772e3-87eb-4bca-bea8-d95bcc87f65f | mp-1411320 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Y2V4O8
_chemical_formula_sum "Y2 V4 O8"
_cell_length_a 6.41888559
_cell_length_b 6.41888559
_cell_length_c 6.418884680000001
_cell_angle_alpha 58.70190772000001
_cell_angle_beta 58.70190772000001
_cell_angle_gamma 58.70191093
_spac... | data_image0
_chemical_formula_structural Y2V4O8Y2V4O8Y2V4O8Y2V4O8Y2V4O8Y2V4O8
_chemical_formula_sum "Y12 V24 O48"
_cell_length_a 6.41888559
_cell_length_b 12.83777118
_cell_length_c 19.256654039999997
_cell_angle_alpha 58.701907719999994
_cell_angle_beta 58.701907719999994
_c... |
SuperCellAction | 5c686b07-580d-41a8-ae15-e533be55b1c2 | mp-1246013 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V2C3N6V2C3N6V2C3N6V2C3N6V2C3N6V2C3N6
_chemical_formula_sum "V12 C18 N36"
_cell_length_a 8.61995063
_cell_length_b 6.06700602
_cell_length_c 14.897448299999999
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma ... |
SuperCellAction | 16e898f5-cf50-468a-a7c4-4b05d9f9b4c9 | mp-613 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Te4Pd6Te4Pd6Te4Pd6Te4Pd6Te4Pd6Te4Pd6Te4Pd6Te4Pd6
_chemical_formula_sum "Te32 Pd48"
_cell_length_a 7.79482028
_cell_length_b 26.691441480000005
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 7db4990d-2353-4ec5-baff-91ac65b0ce42 | mp-1357031 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Nb6Tl2Cu2Cl18
_chemical_formula_sum "Nb6 Tl2 Cu2 Cl18"
_cell_length_a 9.378582
_cell_length_b 9.38646857
_cell_length_c 9.40366541
_cell_angle_alpha 119.46482336999999
_cell_angle_beta 105.21942018000001
_cell_angle_gamma 96.1155967... | data_image0
_chemical_formula_structural Nb6Tl2Cu2Cl18Nb6Tl2Cu2Cl18Nb6Tl2Cu2Cl18Nb6Tl2Cu2Cl18
_chemical_formula_sum "Nb24 Tl8 Cu8 Cl72"
_cell_length_a 9.378582
_cell_length_b 18.77293714
_cell_length_c 18.80733082
_cell_angle_alpha 119.46482336999999
_cell_angle_beta 105.2194... |
SuperCellAction | a67daeea-5180-4171-8365-92b46d852226 | mp-2230736 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Rb4MgV4O10
_chemical_formula_sum "Rb4 Mg1 V4 O10"
_cell_length_a 5.80427581
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma 89.23265963000001
_... | data_image0
_chemical_formula_structural Rb4MgV4O10Rb4MgV4O10Rb4MgV4O10
_chemical_formula_sum "Rb12 Mg3 V12 O30"
_cell_length_a 17.41282743
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma ... |
SuperCellAction | ea37fc93-ae39-47fb-8cdd-4ab03678dacc | mp-752888 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Li4Cu2Si2O8
_chemical_formula_sum "Li4 Cu2 Si2 O8"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cu2Si2O8Li4Cu2Si2O8Li4Cu2Si2O8Li4Cu2Si2O8Li4Cu2Si2O8Li4Cu2Si2O8
_chemical_formula_sum "Li24 Cu12 Si12 O48"
_cell_length_a 10.54529342
_cell_length_b 5.27264671
_cell_length_c 18.908820000000002
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 6f91139b-e3cc-4e87-bb2b-0e8218b117af | mp-1103256 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe4Sb4Se4Fe4Sb4Se4Fe4Sb4Se4Fe4Sb4Se4
_chemical_formula_sum "Fe16 Sb16 Se16"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 24.83757408
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | 6296ef54-142b-4535-880e-51bb0a015708 | mp-1233440 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural MgGa4P6H6O18
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgGa4P6H6O18MgGa4P6H6O18MgGa4P6H6O18MgGa4P6H6O18MgGa4P6H6O18MgGa4P6H6O18
_chemical_formula_sum "Mg6 Ga24 P36 H36 O108"
_cell_length_a 17.02039546
_cell_length_b 8.51019737
_cell_length_c 24.30471483
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | fb9ca5fb-4525-498a-9b0a-f3cd8560b6be | mp-775903 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P8O28Li8Mn4P8O28Li8Mn4P8O28
_chemical_formula_sum "Li24 Mn12 P24 O84"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 30.65830641
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_ga... |
SuperCellAction | 7c1a5446-9977-416a-ae96-46626593c9d8 | mp-1233765 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH20Br4N4O4MgH20Br4N4O4MgH20Br4N4O4MgH20Br4N4O4
_chemical_formula_sum "Mg4 H80 Br16 N16 O16"
_cell_length_a 7.12466648
_cell_length_b 30.29872808
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176... |
SuperCellAction | 75ddac2d-1f38-4958-a209-46efb48628ce | mp-530953 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Ho16Ti8O40
_chemical_formula_sum "Ho16 Ti8 O40"
_cell_length_a 7.41089067
_cell_length_b 7.410890670000001
_cell_length_c 17.77621955
_cell_angle_alpha 89.47158481
_cell_angle_beta 89.47158481
_cell_angle_gamma 58.75277637
_space_g... | data_image0
_chemical_formula_structural Ho16Ti8O40Ho16Ti8O40Ho16Ti8O40Ho16Ti8O40
_chemical_formula_sum "Ho64 Ti32 O160"
_cell_length_a 14.82178134
_cell_length_b 7.410890670000001
_cell_length_c 35.5524391
_cell_angle_alpha 89.47158481
_cell_angle_beta 89.47158481
_cell_angl... |
SuperCellAction | 85b60fa8-daf0-4da0-bbe5-ce76b3b8fa1b | mp-1233593 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O16Ho2MgAg2W4O16
_chemical_formula_sum "Ho4 Mg2 Ag4 W8 O32"
_cell_length_a 7.46856282
_cell_length_b 16.1368378
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma ... |
SuperCellAction | c78f520c-8357-4102-9fad-d77fed98b44f | mp-1209821 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Np4Ge4O8
_chemical_formula_sum "Np4 Ge4 O8"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_name_... | data_image0
_chemical_formula_structural Np4Ge4O8Np4Ge4O8Np4Ge4O8Np4Ge4O8Np4Ge4O8Np4Ge4O8
_chemical_formula_sum "Np24 Ge24 O48"
_cell_length_a 14.76813138
_cell_length_b 22.15219707
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_a... |
SuperCellAction | dfa4e5d3-6e42-4993-9451-7207a92b74aa | mp-1200885 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Y16C28
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Y16C28Y16C28Y16C28Y16C28Y16C28Y16C28
_chemical_formula_sum "Y96 C168"
_cell_length_a 11.116569
_cell_length_b 12.60303057
_cell_length_c 27.4189571
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 1839fe0a-056b-476f-b706-0f29e1c2e9ce | mp-1213955 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 Cd4N4O20Cd4N4O20Cd4N4O20Cd4N4O20Cd4N4O20Cd4N4O20Cd4N4O20Cd4N4O20
_chemical_formula_sum "Cd32 N32 O160"
_cell_length_a 7.588928
_cell_length_b 15.203454
_cell_length_c 28.811412
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | 04890dde-cb34-4962-8b45-45795efbc429 | mp-43188 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Na8BeAl4Si7Br2O24
_chemical_formula_sum "Na8 Be1 Al4 Si7 Br2 O24"
_cell_length_a 9.043344
_cell_length_b 9.043344
_cell_length_c 9.093718
_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 Na8BeAl4Si7Br2O24Na8BeAl4Si7Br2O24Na8BeAl4Si7Br2O24Na8BeAl4Si7Br2O24
_chemical_formula_sum "Na32 Be4 Al16 Si28 Br8 O96"
_cell_length_a 9.043344
_cell_length_b 18.086688
_cell_length_c 18.187436
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 9e36762b-2edc-4c7a-8094-4be1a3ae9099 | mp-27911 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Bi4As4O16
_chemical_formula_sum "Bi4 As4 O16"
_cell_length_a 7.17354141
_cell_length_b 6.74462747
_cell_length_c 8.29296855
_cell_angle_alpha 53.29390939999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Bi4As4O16Bi4As4O16
_chemical_formula_sum "Bi8 As8 O32"
_cell_length_a 7.17354141
_cell_length_b 13.48925494
_cell_length_c 8.29296855
_cell_angle_alpha 53.29390939999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | e78d33dd-f841-4645-a2f0-0402aa785c54 | mp-1217365 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural ThZr2U2O10
_chemical_formula_sum "Th1 Zr2 U2 O10"
_cell_length_a 15.50643753
_cell_length_b 15.50643753
_cell_length_c 15.5064372
_cell_angle_alpha 14.078482140000034
_cell_angle_beta 14.078482140000034
_cell_angle_gamma 14.07848291... | data_image0
_chemical_formula_structural ThZr2U2O10ThZr2U2O10ThZr2U2O10ThZr2U2O10ThZr2U2O10ThZr2U2O10ThZr2U2O10ThZr2U2O10
_chemical_formula_sum "Th8 Zr16 U16 O80"
_cell_length_a 31.01287506
_cell_length_b 15.50643753
_cell_length_c 62.0257488
_cell_angle_alpha 14.078482140000034
... |
SuperCellAction | a1a1e1c9-ad08-41e7-b490-c440c602b171 | mp-1228099 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ba6Al6F30
_chemical_formula_sum "Ba6 Al6 F30"
_cell_length_a 5.294875
_cell_length_b 7.50576356
_cell_length_c 15.15086871
_cell_angle_alpha 79.41647962999998
_cell_angle_beta 88.48177167000001
_cell_angle_gamma 88.12946573
_space_... | data_image0
_chemical_formula_structural Ba6Al6F30Ba6Al6F30Ba6Al6F30Ba6Al6F30Ba6Al6F30Ba6Al6F30
_chemical_formula_sum "Ba36 Al36 F180"
_cell_length_a 5.294875
_cell_length_b 15.01152712
_cell_length_c 45.45260613000001
_cell_angle_alpha 79.41647962999998
_cell_angle_beta 88.4... |
SuperCellAction | 61f97d6d-c26c-4bd7-808c-43785c42666b | mp-1195795 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22La4Y11S22La4Y11S22La4Y11S22
_chemical_formula_sum "La16 Y44 S88"
_cell_length_a 39.70591026
_cell_length_b 19.85295513
_cell_length_c 22.89418358
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma ... |
SuperCellAction | 54d28ab4-b18a-45ac-8561-a54b73c3fd3a | mp-849617 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24859
_cell_length_b 9.14136416
_cell_length_c 11.30782167
_cell_angle_alpha 112.71046395999998
_cell_angle_beta 103.3578393
_cell_angle_gamma 90.05467985
_space_g... | data_image0
_chemical_formula_structural Li4Fe8B8O24Li4Fe8B8O24
_chemical_formula_sum "Li8 Fe16 B16 O48"
_cell_length_a 5.24859
_cell_length_b 18.28272832
_cell_length_c 11.30782167
_cell_angle_alpha 112.71046395999998
_cell_angle_beta 103.3578393
_cell_angle_gamma 90.0546... |
SuperCellAction | 3ea218ea-e420-405e-a965-341d38882664 | mp-1100579 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.901586
_cell_length_b 5.200861
_cell_length_c 19.42563306
_cell_angle_alpha 84.16596321
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li36 Mn8 Co20 O64"
_cell_length_a 2.901586
_cell_length_b 10.401722
_cell_length_c 38.85126612
_cell_angle_alpha 84.16596321
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 90413866-f2a1-4fb0-bdf9-68f139dc2298 | mp-1173638 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O20Sr10CuRu4O20
_chemical_formula_sum "Sr20 Cu2 Ru8 O40"
_cell_length_a 17.77334924
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angl... |
SuperCellAction | 24d50fdb-c104-45b0-a5e7-643e3308e387 | mp-1211409 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural K4Tb4Mo8O32
_chemical_formula_sum "K4 Tb4 Mo8 O32"
_cell_length_a 5.158313
_cell_length_b 8.16187
_cell_length_c 18.467511
_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 K4Tb4Mo8O32K4Tb4Mo8O32K4Tb4Mo8O32K4Tb4Mo8O32K4Tb4Mo8O32K4Tb4Mo8O32
_chemical_formula_sum "K24 Tb24 Mo48 O192"
_cell_length_a 15.474939
_cell_length_b 16.32374
_cell_length_c 18.467511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 0cfcb41d-e006-4118-a4e9-98ee252a1b6c | mp-1026412 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14SnBaMg14SnBaMg14SnBaMg14Sn
_chemical_formula_sum "Ba4 Mg56 Sn4"
_cell_length_a 13.15999428
_cell_length_b 13.15999314
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999... |
SuperCellAction | 621b4e87-e02e-4351-a5c6-ca4f0087934c | mp-776026 | Create a supercell with the size 3x1x1. | 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 Li8Fe8F24Li8Fe8F24Li8Fe8F24
_chemical_formula_sum "Li24 Fe24 F72"
_cell_length_a 26.434557
_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_al... |
SuperCellAction | 313b496d-16be-4a15-a8ef-c2508282bafb | mp-1519680 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural NaLaTi4O12
_chemical_formula_sum "Na1 La1 Ti4 O12"
_cell_length_a 5.44900287
_cell_length_b 5.44900287
_cell_length_c 7.87305644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00667187
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural NaLaTi4O12NaLaTi4O12NaLaTi4O12NaLaTi4O12
_chemical_formula_sum "Na4 La4 Ti16 O48"
_cell_length_a 5.44900287
_cell_length_b 10.89800574
_cell_length_c 15.74611288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0066... |
SuperCellAction | 5c6e7834-8f62-422a-aabb-fe1d75ef2a47 | mp-771159 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16Li4V6W2O16Li4V6W2O16Li4V6W2O16Li4V6W2O16Li4V6W2O16Li4V6W2O16Li4V6W2O16
_chemical_formula_sum "Li32 V48 W16 O128"
_cell_length_a 12.23763284
_cell_length_b 10.558866989999999
_cell_length_c 24.144313679999996
_cell_angle_alpha 105... |
SuperCellAction | 5daa5fbc-45a1-40f4-9392-90649613b7cf | mp-16136 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14Sr3TaGa3Si2O14
_chemical_formula_sum "Sr6 Ta2 Ga6 Si4 O28"
_cell_length_a 16.8243885
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
... |
SuperCellAction | 63f3bd5d-157c-4faf-8d72-83fa7d85ec4e | mp-675042 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Mg16Ti8O8
_chemical_formula_sum "Mg16 Ti8 O8"
_cell_length_a 5.932729
_cell_length_b 6.12230804
_cell_length_c 20.971494330000002
_cell_angle_alpha 82.08305461000002
_cell_angle_beta 82.36754106
_cell_angle_gamma 62.10751249999999
... | data_image0
_chemical_formula_structural Mg16Ti8O8Mg16Ti8O8Mg16Ti8O8Mg16Ti8O8Mg16Ti8O8Mg16Ti8O8
_chemical_formula_sum "Mg96 Ti48 O48"
_cell_length_a 11.865458
_cell_length_b 18.36692412
_cell_length_c 20.971494330000002
_cell_angle_alpha 82.08305461000002
_cell_angle_beta 82.... |
SuperCellAction | a4972c4c-d5bd-41f0-8213-b4f4b452d478 | mp-1103868 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural ZnRe2O12
_chemical_formula_sum "Zn1 Re2 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_group_... | data_image0
_chemical_formula_structural ZnRe2O12ZnRe2O12ZnRe2O12ZnRe2O12ZnRe2O12ZnRe2O12
_chemical_formula_sum "Zn6 Re12 O72"
_cell_length_a 12.079578
_cell_length_b 21.44612859
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell... |
SuperCellAction | 6b87e446-ef04-48e5-8b58-1caca40c40eb | mp-616196 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... | data_image0
_chemical_formula_structural Os2C6I4O6Os2C6I4O6Os2C6I4O6Os2C6I4O6Os2C6I4O6Os2C6I4O6Os2C6I4O6Os2C6I4O6
_chemical_formula_sum "Os16 C48 I32 O48"
_cell_length_a 27.29537928
_cell_length_b 13.64768964
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_bet... |
SuperCellAction | 7b09dd22-bbcc-412f-9c97-2c400ac144dc | mp-559695 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Cs2RbBiF6
_chemical_formula_sum "Cs2 Rb1 Bi1 F6"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Cs2RbBiF6Cs2RbBiF6Cs2RbBiF6
_chemical_formula_sum "Cs6 Rb3 Bi3 F18"
_cell_length_a 21.1593219
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_... |
SuperCellAction | 08f5d20a-10b7-41ce-aea0-47baa50f0f4a | mp-850538 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60.15158... | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24Mn2Fe3SnP6O24Mn2Fe3SnP6O24Mn2Fe3SnP6O24Mn2Fe3SnP6O24Mn2Fe3SnP6O24
_chemical_formula_sum "Mn12 Fe18 Sn6 P36 O144"
_cell_length_a 26.02551705
_cell_length_b 8.67517235
_cell_length_c 17.35034392
_cell_angle_alpha 60.151591209999... |
SuperCellAction | 5a1d7567-4871-46ee-b9c7-8f41c4272f89 | mp-1190089 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Cs2Hf4Br18
_chemical_formula_sum "Cs2 Hf4 Br18"
_cell_length_a 6.88181403
_cell_length_b 10.17559558
_cell_length_c 13.247795399999998
_cell_angle_alpha 66.70110233
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs2Hf4Br18Cs2Hf4Br18Cs2Hf4Br18Cs2Hf4Br18Cs2Hf4Br18Cs2Hf4Br18
_chemical_formula_sum "Cs12 Hf24 Br108"
_cell_length_a 13.76362806
_cell_length_b 10.17559558
_cell_length_c 39.743386199999996
_cell_angle_alpha 66.70110233
_cell_angle_beta ... |
SuperCellAction | 426e5b5d-c07f-4741-bc53-b44436cb92d0 | mp-1219192 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural SmErTi2Fe16Co6
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space_group... | data_image0
_chemical_formula_structural SmErTi2Fe16Co6SmErTi2Fe16Co6SmErTi2Fe16Co6SmErTi2Fe16Co6SmErTi2Fe16Co6SmErTi2Fe16Co6SmErTi2Fe16Co6SmErTi2Fe16Co6
_chemical_formula_sum "Sm8 Er8 Ti16 Fe128 Co48"
_cell_length_a 9.422716
_cell_length_b 6.4268911
_cell_length_c 47.77077652
_cell... |
SuperCellAction | b5dc47ea-5d89-4658-b86b-2be59b570774 | mp-29239 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Lu4B8Ru4
_chemical_formula_sum "Lu4 B8 Ru4"
_cell_length_a 5.23437906
_cell_length_b 5.79218908
_cell_length_c 6.26149198
_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 Lu4B8Ru4Lu4B8Ru4Lu4B8Ru4Lu4B8Ru4Lu4B8Ru4Lu4B8Ru4
_chemical_formula_sum "Lu24 B48 Ru24"
_cell_length_a 10.46875812
_cell_length_b 5.79218908
_cell_length_c 18.78447594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 628a4b5e-f104-4697-bc52-79dc5185ad75 | mp-555986 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural As2C2S6N4F22
_chemical_formula_sum "As2 C2 S6 N4 F22"
_cell_length_a 6.318984
_cell_length_b 7.2213999
_cell_length_c 13.37401907
_cell_angle_alpha 95.59998720999998
_cell_angle_beta 96.66692612
_cell_angle_gamma 104.08669523999998
... | data_image0
_chemical_formula_structural As2C2S6N4F22As2C2S6N4F22
_chemical_formula_sum "As4 C4 S12 N8 F44"
_cell_length_a 6.318984
_cell_length_b 7.2213999
_cell_length_c 26.74803814
_cell_angle_alpha 95.59998720999998
_cell_angle_beta 96.66692612
_cell_angle_gamma 104.08... |
SuperCellAction | 5acf2cd2-5840-46fe-a1f8-d78ce8130457 | mp-1223688 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural La2Fe10Bi8O30
_chemical_formula_sum "La2 Fe10 Bi8 O30"
_cell_length_a 5.583138
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_angle_gamma 102.87975701
_... | data_image0
_chemical_formula_structural La2Fe10Bi8O30La2Fe10Bi8O30La2Fe10Bi8O30La2Fe10Bi8O30La2Fe10Bi8O30La2Fe10Bi8O30La2Fe10Bi8O30La2Fe10Bi8O30
_chemical_formula_sum "La16 Fe80 Bi64 O240"
_cell_length_a 11.166276
_cell_length_b 50.11309684
_cell_length_c 9.677179550000002
_cell_an... |
SuperCellAction | af118d5e-1fad-4b66-89e1-147406fc8456 | mp-698063 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural Na8P8H8O28Na8P8H8O28Na8P8H8O28Na8P8H8O28
_chemical_formula_sum "Na32 P32 H32 O112"
_cell_length_a 15.21915904
_cell_length_b 28.63924636
_cell_length_c 14.22906306
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_... |
SuperCellAction | a3447d9a-0f32-46a3-afd3-091f9d0dff07 | mp-1226178 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Cr12BP3
_chemical_formula_sum "Cr12 B1 P3"
_cell_length_a 4.462446
_cell_length_b 6.68693698
_cell_length_c 6.7490850799999995
_cell_angle_alpha 85.43454322
_cell_angle_beta 108.94953747999999
_cell_angle_gamma 108.90029558
_space_... | data_image0
_chemical_formula_structural Cr12BP3Cr12BP3Cr12BP3
_chemical_formula_sum "Cr36 B3 P9"
_cell_length_a 4.462446
_cell_length_b 20.06081094
_cell_length_c 6.7490850799999995
_cell_angle_alpha 85.43454322
_cell_angle_beta 108.94953747999999
_cell_angle_gamma 108.90... |
SuperCellAction | f171179a-fbc9-45f5-9ce2-455c3fb8f902 | mp-2219347 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... | data_image0
_chemical_formula_structural MgTe4Mo2W2S4MgTe4Mo2W2S4MgTe4Mo2W2S4MgTe4Mo2W2S4MgTe4Mo2W2S4MgTe4Mo2W2S4MgTe4Mo2W2S4MgTe4Mo2W2S4
_chemical_formula_sum "Mg8 Te32 Mo16 W16 S32"
_cell_length_a 13.468256
_cell_length_b 3.36752034
_cell_length_c 87.58636526000001
_cell_angle_alp... |
SuperCellAction | e9c2db12-1bda-46df-8dcd-831cdd4f483a | mp-757032 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Cs6Er2O6
_chemical_formula_sum "Cs6 Er2 O6"
_cell_length_a 7.48436242
_cell_length_b 7.48436204
_cell_length_c 7.5666923299999995
_cell_angle_alpha 83.92575461000001
_cell_angle_beta 96.07424925
_cell_angle_gamma 64.01794376
_space... | data_image0
_chemical_formula_structural Cs6Er2O6Cs6Er2O6Cs6Er2O6Cs6Er2O6Cs6Er2O6Cs6Er2O6Cs6Er2O6Cs6Er2O6
_chemical_formula_sum "Cs48 Er16 O48"
_cell_length_a 29.93744968
_cell_length_b 7.48436204
_cell_length_c 15.133384659999999
_cell_angle_alpha 83.92575461000001
_cell_angle_b... |
SuperCellAction | d9d824bf-c645-4fd3-9769-02f269f4baa3 | mp-1223717 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24
_chemical_formula_sum "K16 Al48 Si48 H32 O192"
_cell_length_a 20.9289596
_cell_length_b 5.25214878
_cell_length_c 41.201465760000005
_cel... |
SuperCellAction | 33008dfc-6b9f-43ab-a62e-2831a376f99e | mp-757836 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Be4H8Se4O16
_chemical_formula_sum "Be4 H8 Se4 O16"
_cell_length_a 5.718147
_cell_length_b 7.62828
_cell_length_c 7.952448
_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 Be4H8Se4O16Be4H8Se4O16Be4H8Se4O16Be4H8Se4O16
_chemical_formula_sum "Be16 H32 Se16 O64"
_cell_length_a 5.718147
_cell_length_b 7.62828
_cell_length_c 31.809792
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | d79ca2cf-0aab-4d6c-84a8-3070b02783a1 | mp-29399 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Mn4Ni2O8
_chemical_formula_sum "Mn4 Ni2 O8"
_cell_length_a 6.02148477
_cell_length_b 6.0214848199999995
_cell_length_c 6.021485
_cell_angle_alpha 60.00000450999998
_cell_angle_beta 60.000004219999994
_cell_angle_gamma 60.00000310999... | data_image0
_chemical_formula_structural Mn4Ni2O8Mn4Ni2O8Mn4Ni2O8
_chemical_formula_sum "Mn12 Ni6 O24"
_cell_length_a 18.06445431
_cell_length_b 6.0214848199999995
_cell_length_c 6.021485
_cell_angle_alpha 60.00000450999998
_cell_angle_beta 60.000004219999994
_cell_angle_gamm... |
SuperCellAction | 9bd62489-8975-4953-9a19-fc1824610880 | mp-1043461 | Create a supercell with the size 1*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 Ni4Sb4P8O36Ni4Sb4P8O36Ni4Sb4P8O36
_chemical_formula_sum "Ni12 Sb12 P24 O108"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 42.209496
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | e461dd42-4e2b-486e-a9ac-d31aeba597d5 | mp-769705 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Cd4Co8O16
_chemical_formula_sum "Cd4 Co8 O16"
_cell_length_a 5.066793
_cell_length_b 5.90934957
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697
_cell_angle_gamma 89.28698270000001
_space_... | data_image0
_chemical_formula_structural Cd4Co8O16Cd4Co8O16Cd4Co8O16Cd4Co8O16Cd4Co8O16Cd4Co8O16Cd4Co8O16Cd4Co8O16
_chemical_formula_sum "Cd32 Co64 O128"
_cell_length_a 10.133586
_cell_length_b 23.63739828
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_... |
SuperCellAction | 4afc5cb9-c135-412c-a65c-a4f5dadfd266 | mp-862697 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Er4Mg2Ge4
_chemical_formula_sum "Er4 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Er4Mg2Ge4Er4Mg2Ge4Er4Mg2Ge4Er4Mg2Ge4Er4Mg2Ge4Er4Mg2Ge4
_chemical_formula_sum "Er24 Mg12 Ge24"
_cell_length_a 4.17537634
_cell_length_b 21.563596259999997
_cell_length_c 14.37573084
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 5e23b53d-80ef-4ae9-85fd-a8853a5b70db | mp-1567262 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12Li4Mn4Sb2O12
_chemical_formula_sum "Li8 Mn8 Sb4 O24"
_cell_length_a 10.71328654
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.... |
SuperCellAction | de3235ed-3e0b-4891-9287-b007490763c2 | mp-780766 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Fe10O9F11
_chemical_formula_sum "Fe10 O9 F11"
_cell_length_a 4.75422975
_cell_length_b 4.75422975
_cell_length_c 15.53430141
_cell_angle_alpha 89.99088441
_cell_angle_beta 89.99088441
_cell_angle_gamma 91.94371098999999
_space_grou... | data_image0
_chemical_formula_structural Fe10O9F11Fe10O9F11Fe10O9F11Fe10O9F11
_chemical_formula_sum "Fe40 O36 F44"
_cell_length_a 4.75422975
_cell_length_b 4.75422975
_cell_length_c 62.13720564
_cell_angle_alpha 89.99088441
_cell_angle_beta 89.99088441
_cell_angle_gamma 91... |
SuperCellAction | 9a97cb11-4937-4762-81ac-9684485aea10 | mp-1199851 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_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 Er4C12O32Er4C12O32
_chemical_formula_sum "Er8 C24 O64"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 25.373764
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SuperCellAction | d6fd9075-9316-48e0-9a5b-96675ed14d7d | mp-1111085 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Na2VAuF6
_chemical_formula_sum "Na2 V1 Au1 F6"
_cell_length_a 6.160899
_cell_length_b 6.16089921
_cell_length_c 6.16089917
_cell_angle_alpha 60.00000008000001
_cell_angle_beta 59.99999557
_cell_angle_gamma 59.99999577
_space_group_... | data_image0
_chemical_formula_structural Na2VAuF6Na2VAuF6
_chemical_formula_sum "Na4 V2 Au2 F12"
_cell_length_a 12.321798
_cell_length_b 6.16089921
_cell_length_c 6.16089917
_cell_angle_alpha 60.00000008000001
_cell_angle_beta 59.99999557
_cell_angle_gamma 59.99999577
_sp... |
SuperCellAction | dbdde4d2-4fbb-4184-90d8-38df4dd0ac5d | mp-1073789 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Mg6Si6
_chemical_formula_sum "Mg6 Si6"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
_spac... | data_image0
_chemical_formula_structural Mg6Si6Mg6Si6Mg6Si6Mg6Si6Mg6Si6Mg6Si6
_chemical_formula_sum "Mg36 Si36"
_cell_length_a 6.13060281
_cell_length_b 12.261205619999998
_cell_length_c 33.19861497
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_... |
SuperCellAction | ba911787-f36c-4b5e-b47e-3b5dd1b92ecf | mp-758607 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_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 Li4Co4Si4O16Li4Co4Si4O16Li4Co4Si4O16Li4Co4Si4O16Li4Co4Si4O16Li4Co4Si4O16
_chemical_formula_sum "Li24 Co24 Si24 O96"
_cell_length_a 4.930845
_cell_length_b 13.720564
_cell_length_c 29.052213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | 68a4f156-c95b-409b-a51a-8a954e66f730 | mp-19442 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural MnNi6O8
_chemical_formula_sum "Mn1 Ni6 O8"
_cell_length_a 5.89233324
_cell_length_b 5.89233555
_cell_length_c 5.89237318
_cell_angle_alpha 60.00125997000001
_cell_angle_beta 60.00127179
_cell_angle_gamma 60.000842299999995
_space_g... | data_image0
_chemical_formula_structural MnNi6O8MnNi6O8
_chemical_formula_sum "Mn2 Ni12 O16"
_cell_length_a 11.78466648
_cell_length_b 5.89233555
_cell_length_c 5.89237318
_cell_angle_alpha 60.00125997000001
_cell_angle_beta 60.00127179
_cell_angle_gamma 60.000842299999995... |
SuperCellAction | c83e0984-46ae-4ab4-b92c-fa3d25261991 | mp-1027074 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_group_n... | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2Te4Mo2W2Se2S2Te4Mo2W2Se2S2Te4Mo2W2Se2S2
_chemical_formula_sum "Te16 Mo8 W8 Se8 S8"
_cell_length_a 6.79581662
_cell_length_b 6.795816620000001
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | f189899a-6beb-4967-80f1-6eacab04714c | mp-556532 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Ca2Al2B6O14
_chemical_formula_sum "Ca2 Al2 B6 O14"
_cell_length_a 7.14232107
_cell_length_b 7.14232107
_cell_length_c 4.411938
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.53086852
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca2Al2B6O14Ca2Al2B6O14Ca2Al2B6O14Ca2Al2B6O14
_chemical_formula_sum "Ca8 Al8 B24 O56"
_cell_length_a 14.28464214
_cell_length_b 14.28464214
_cell_length_c 4.411938
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.53... |
SuperCellAction | 4d026921-c405-4ddb-887a-22c7f7f9fde2 | mp-1193590 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Gd2Co18Si8
_chemical_formula_sum "Gd2 Co18 Si8"
_cell_length_a 7.90499736
_cell_length_b 7.90499736
_cell_length_c 7.90499736
_cell_angle_alpha 121.62233963999999
_cell_angle_beta 121.62233963999999
_cell_angle_gamma 87.21226789
_s... | data_image0
_chemical_formula_structural Gd2Co18Si8Gd2Co18Si8Gd2Co18Si8Gd2Co18Si8Gd2Co18Si8Gd2Co18Si8
_chemical_formula_sum "Gd12 Co108 Si48"
_cell_length_a 23.714992080000002
_cell_length_b 7.90499736
_cell_length_c 15.80999472
_cell_angle_alpha 121.62233963999999
_cell_angle_be... |
SuperCellAction | f9113165-aead-406b-8f0d-baf932b25f1d | mp-1202923 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Ho4H32S6O40
_chemical_formula_sum "Ho4 H32 S6 O40"
_cell_length_a 6.699509
_cell_length_b 7.67212663
_cell_length_c 18.36402729
_cell_angle_alpha 101.57689538
_cell_angle_beta 90.0
_cell_angle_gamma 115.88801569
_space_group_name_H... | data_image0
_chemical_formula_structural Ho4H32S6O40Ho4H32S6O40
_chemical_formula_sum "Ho8 H64 S12 O80"
_cell_length_a 6.699509
_cell_length_b 15.34425326
_cell_length_c 18.36402729
_cell_angle_alpha 101.57689538
_cell_angle_beta 90.0
_cell_angle_gamma 115.88801569
_space... |
SuperCellAction | b6e5d46d-2137-46e3-8e24-2e90bc05b0d5 | mp-1193964 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Ca4Mg2C6O18
_chemical_formula_sum "Ca4 Mg2 C6 O18"
_cell_length_a 4.84879244
_cell_length_b 4.84879244
_cell_length_c 16.59806269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000153999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ca4Mg2C6O18Ca4Mg2C6O18Ca4Mg2C6O18Ca4Mg2C6O18Ca4Mg2C6O18Ca4Mg2C6O18
_chemical_formula_sum "Ca24 Mg12 C36 O108"
_cell_length_a 9.69758488
_cell_length_b 14.546377320000001
_cell_length_c 16.59806269
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | a43257c8-4bba-42fa-830f-02d56cde294f | mp-766479 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Li8Mn2Fe4B8O24
_chemical_formula_sum "Li8 Mn2 Fe4 B8 O24"
_cell_length_a 9.006655
_cell_length_b 5.291647
_cell_length_c 9.95652407
_cell_angle_alpha 89.10302316000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li8Mn2Fe4B8O24Li8Mn2Fe4B8O24Li8Mn2Fe4B8O24Li8Mn2Fe4B8O24
_chemical_formula_sum "Li32 Mn8 Fe16 B32 O96"
_cell_length_a 18.01331
_cell_length_b 5.291647
_cell_length_c 19.91304814
_cell_angle_alpha 89.10302316000002
_cell_angle_beta 90.0... |
SuperCellAction | b548b58d-008b-42cc-b3f0-64a23a3bf8a0 | mp-889216 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.546964
_cell_length_b 5.45334602
_cell_length_c 7.536521800000001
_cell_angle_alpha 86.42265089
_cell_angle_beta 89.95481883
_cell_angle_gamma 89.8901646
_space_group_nam... | data_image0
_chemical_formula_structural Mn6O10F2Mn6O10F2Mn6O10F2Mn6O10F2Mn6O10F2Mn6O10F2Mn6O10F2Mn6O10F2
_chemical_formula_sum "Mn48 O80 F16"
_cell_length_a 18.187856
_cell_length_b 10.90669204
_cell_length_c 7.536521800000001
_cell_angle_alpha 86.42265089
_cell_angle_beta 8... |
SuperCellAction | e832ab18-f6b3-407b-b9a7-45db0bbd61a0 | mp-1222724 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Lu6Ga19Pd3
_chemical_formula_sum "Lu6 Ga19 Pd3"
_cell_length_a 8.11245202
_cell_length_b 8.11245202
_cell_length_c 15.86676528
_cell_angle_alpha 76.36422931
_cell_angle_beta 76.36422931
_cell_angle_gamma 30.321621739999983
_space_g... | data_image0
_chemical_formula_structural Lu6Ga19Pd3Lu6Ga19Pd3Lu6Ga19Pd3Lu6Ga19Pd3
_chemical_formula_sum "Lu24 Ga76 Pd12"
_cell_length_a 32.44980808
_cell_length_b 8.11245202
_cell_length_c 15.86676528
_cell_angle_alpha 76.36422931
_cell_angle_beta 76.36422931
_cell_angle_gamm... |
SuperCellAction | b46f2888-f745-42e7-a9cf-4573ef152cb0 | mp-763224 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.991426
_cell_length_b 7.063957810000001
_cell_length_c 7.130215940000001
_cell_angle_alpha 101.53322556
_cell_angle_beta 90.21732414
_cell_angle_gamma 90.13568098
_space_... | data_image0
_chemical_formula_structural Mn8O13F3Mn8O13F3Mn8O13F3Mn8O13F3Mn8O13F3Mn8O13F3
_chemical_formula_sum "Mn48 O78 F18"
_cell_length_a 14.974277999999998
_cell_length_b 14.127915620000001
_cell_length_c 7.130215940000001
_cell_angle_alpha 101.53322556
_cell_angle_beta ... |
SuperCellAction | 0733b0ad-7ec1-4201-b926-1ae45cf8086a | mp-2230483 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural MgV5CrO12
_chemical_formula_sum "Mg1 V5 Cr1 O12"
_cell_length_a 7.05553626
_cell_length_b 7.05539907
_cell_length_c 5.5347176
_cell_angle_alpha 70.33758008
_cell_angle_beta 109.66409515000001
_cell_angle_gamma 103.71570313999999
_s... | data_image0
_chemical_formula_structural MgV5CrO12MgV5CrO12MgV5CrO12
_chemical_formula_sum "Mg3 V15 Cr3 O36"
_cell_length_a 7.05553626
_cell_length_b 7.05539907
_cell_length_c 16.604152799999998
_cell_angle_alpha 70.33758008
_cell_angle_beta 109.66409515000001
_cell_angle_gam... |
SuperCellAction | 793ae360-a507-4697-9ef7-d5157aa4db5e | mp-1195793 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Ba4Fe4P4H4O20
_chemical_formula_sum "Ba4 Fe4 P4 H4 O20"
_cell_length_a 5.105461
_cell_length_b 8.951228
_cell_length_c 10.086886
_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 Ba4Fe4P4H4O20Ba4Fe4P4H4O20Ba4Fe4P4H4O20Ba4Fe4P4H4O20Ba4Fe4P4H4O20Ba4Fe4P4H4O20
_chemical_formula_sum "Ba24 Fe24 P24 H24 O120"
_cell_length_a 15.316383
_cell_length_b 17.902456
_cell_length_c 10.086886
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | ff8cf0c0-1b18-44e3-bdf5-16fba189fdbd | mp-1233619 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16Sr2MgZn2Sn2P4O16Sr2MgZn2Sn2P4O16Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr8 Mg4 Zn8 Sn8 P16 O64"
_cell_length_a 22.27201784
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_ang... |
SuperCellAction | 5e113065-e2d0-45b3-84f6-6d1550670b23 | mp-1234114 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.19088003
_cell_length_b 5.2832088399999995
_cell_length_c 11.751094119999998
_cell_angle_alpha 88.19506896
_cell_angle_beta 93.5200272
_cell_angle_gamma 92.18298936
_... | data_image0
_chemical_formula_structural MgFe8O8F8MgFe8O8F8MgFe8O8F8MgFe8O8F8MgFe8O8F8MgFe8O8F8
_chemical_formula_sum "Mg6 Fe48 O48 F48"
_cell_length_a 10.38176006
_cell_length_b 15.84962652
_cell_length_c 11.751094119999998
_cell_angle_alpha 88.19506896
_cell_angle_beta 93.5... |
SuperCellAction | ee1c999d-1cd8-416e-a9ef-6e7d85562743 | mp-753838 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li4Si4Ni4O14
_chemical_formula_sum "Li4 Si4 Ni4 O14"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_group_n... | data_image0
_chemical_formula_structural Li4Si4Ni4O14Li4Si4Ni4O14Li4Si4Ni4O14Li4Si4Ni4O14
_chemical_formula_sum "Li16 Si16 Ni16 O56"
_cell_length_a 10.147448
_cell_length_b 9.746360100000002
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | ad7fb04b-c81b-455f-9908-0b3dc039fe0c | mp-861612 | Create a supercell with the size 1X2X2. | 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 Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16
_chemical_formula_sum "Cr8 Fe8 P16 O64"
_cell_length_a 5.848363
_cell_length_b 9.674624
_cell_length_c 19.930807
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | de0f0edc-ffda-4eb8-832a-e9c18c9d4037 | mp-557634 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O24Na2V6P6O24Na2V6P6O24Na2V6P6O24Na2V6P6O24Na2V6P6O24Na2V6P6O24Na2V6P6O24
_chemical_formula_sum "Na16 V48 P48 O192"
_cell_length_a 36.64314444
_cell_length_b 18.32157222
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell... |
SuperCellAction | a4c9030e-7a5d-4da2-a3b7-8176e4331f55 | mp-568431 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Nd12Fe26Sb2
_chemical_formula_sum "Nd12 Fe26 Sb2"
_cell_length_a 13.03642993
_cell_length_b 13.03642993
_cell_length_c 13.03642993
_cell_angle_alpha 143.95074712000002
_cell_angle_beta 143.95074712000002
_cell_angle_gamma 51.9009489... | data_image0
_chemical_formula_structural Nd12Fe26Sb2Nd12Fe26Sb2Nd12Fe26Sb2
_chemical_formula_sum "Nd36 Fe78 Sb6"
_cell_length_a 13.03642993
_cell_length_b 13.03642993
_cell_length_c 39.109289790000005
_cell_angle_alpha 143.95074712
_cell_angle_beta 143.95074712
_cell_angle_ga... |
SuperCellAction | bfbf0847-8b36-4dc3-b03a-3ce188983dba | mp-1520816 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24
_chemical_formula_sum "Ba4 Eu4 Zr8 O24"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_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 Ba4Eu4Zr8O24Ba4Eu4Zr8O24Ba4Eu4Zr8O24Ba4Eu4Zr8O24Ba4Eu4Zr8O24Ba4Eu4Zr8O24Ba4Eu4Zr8O24Ba4Eu4Zr8O24
_chemical_formula_sum "Ba32 Eu32 Zr64 O192"
_cell_length_a 16.88365746
_cell_length_b 8.44182873
_cell_length_c 33.7771786
_cell_angle_alpha 9... |
SuperCellAction | ac6dbec9-3a40-45fc-a7ac-c5d7a47832d9 | mp-557123 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32
_chemical_formula_sum "Na64 Cu32 Si96 O256"
_cell_length_a 41.642228
_cell_length_b 16.025624
_cell_length_c 9.73027488
_cell_angle_alpha... |
SuperCellAction | 46a93596-a424-4df7-a21c-28d005cd2cc9 | mp-1178407 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Cr8P4O20
_chemical_formula_sum "Cr8 P4 O20"
_cell_length_a 6.45024542
_cell_length_b 7.31297143
_cell_length_c 7.40818743
_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 Cr8P4O20Cr8P4O20Cr8P4O20
_chemical_formula_sum "Cr24 P12 O60"
_cell_length_a 19.350736259999998
_cell_length_b 7.31297143
_cell_length_c 7.40818743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | 14df343f-0824-4967-aea6-cbff46e81b2a | mp-614981 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_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 Ba2NdCu3O6Ba2NdCu3O6Ba2NdCu3O6Ba2NdCu3O6Ba2NdCu3O6Ba2NdCu3O6Ba2NdCu3O6Ba2NdCu3O6
_chemical_formula_sum "Ba16 Nd8 Cu24 O48"
_cell_length_a 7.850454
_cell_length_b 7.850454
_cell_length_c 24.2839
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 760447ea-9f89-4455-ad9e-4ea215b68725 | mp-19357 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural La2Cr2O6
_chemical_formula_sum "La2 Cr2 O6"
_cell_length_a 5.45720057
_cell_length_b 5.45720004
_cell_length_c 5.45749681
_cell_angle_alpha 61.134429309999994
_cell_angle_beta 61.134430159999994
_cell_angle_gamma 61.13540772999999
... | data_image0
_chemical_formula_structural La2Cr2O6La2Cr2O6La2Cr2O6
_chemical_formula_sum "La6 Cr6 O18"
_cell_length_a 5.45720057
_cell_length_b 5.45720004
_cell_length_c 16.37249043
_cell_angle_alpha 61.13442930999998
_cell_angle_beta 61.134430159999994
_cell_angle_gamma 61... |
SuperCellAction | 32cd6e9c-8c01-46f6-93ec-aa1c20633ee0 | mp-1208360 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Tb2Tl2W4O16
_chemical_formula_sum "Tb2 Tl2 W4 O16"
_cell_length_a 7.65111493
_cell_length_b 7.651114930000001
_cell_length_c 7.497773409999999
_cell_angle_alpha 62.4349798
_cell_angle_beta 62.4349798
_cell_angle_gamma 88.55985652000... | data_image0
_chemical_formula_structural Tb2Tl2W4O16Tb2Tl2W4O16Tb2Tl2W4O16Tb2Tl2W4O16Tb2Tl2W4O16Tb2Tl2W4O16Tb2Tl2W4O16Tb2Tl2W4O16
_chemical_formula_sum "Tb16 Tl16 W32 O128"
_cell_length_a 15.30222986
_cell_length_b 7.651114930000001
_cell_length_c 29.991093639999995
_cell_angle_alph... |
SuperCellAction | ac42a2b1-dfbc-46b5-a5d9-034763567111 | mp-1120783 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C30Al30C30Al30C30Al30C30Al30C30Al30C30Al30C30Al30C30
_chemical_formula_sum "Al240 C240"
_cell_length_a 119.879084
_cell_length_b 16.13286
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | b97fbe92-7c4f-4252-af64-d7ba843d1150 | mp-1237028 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 K4Ga4P8H8K4Ga4P8H8K4Ga4P8H8K4Ga4P8H8K4Ga4P8H8K4Ga4P8H8
_chemical_formula_sum "K24 Ga24 P48 H48"
_cell_length_a 15.974796000000001
_cell_length_b 7.97831
_cell_length_c 23.803486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | c4dfeb2e-784c-4f5f-9dd6-a8f77863c44b | mp-759335 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V6P16O58Li10V6P16O58Li10V6P16O58Li10V6P16O58Li10V6P16O58Li10V6P16O58Li10V6P16O58Li10V6P16O58
_chemical_formula_sum "Li80 V48 P128 O464"
_cell_length_a 39.162968
_cell_length_b 19.60077216
_cell_length_c 14.10371707
_cell_angle_alpha 89... |
SuperCellAction | 1395a66d-0fd8-463a-95b2-7027487d583b | mp-1210947 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O16Lu2Ag2W4O16
_chemical_formula_sum "Lu4 Ag4 W8 O32"
_cell_length_a 14.60546812
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.315135... |
SuperCellAction | 49a6a7dd-e22f-436e-ad3d-befefa08193b | mp-1188318 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Si2H16
_chemical_formula_sum "Si2 H16"
_cell_length_a 5.53813922
_cell_length_b 5.55217752
_cell_length_c 7.5952981
_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 Si2H16Si2H16Si2H16Si2H16Si2H16Si2H16
_chemical_formula_sum "Si12 H96"
_cell_length_a 5.53813922
_cell_length_b 11.10435504
_cell_length_c 22.7858943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | a4ac1090-e32c-4216-947c-3c3fac556afc | mp-1028063 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Mg14MnGa
_chemical_formula_sum "Mg14 Mn1 Ga1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnGaMg14MnGaMg14MnGaMg14MnGaMg14MnGaMg14MnGa
_chemical_formula_sum "Mg84 Mn6 Ga6"
_cell_length_a 6.24922299
_cell_length_b 12.498445
_cell_length_c 30.78309309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0... |
SuperCellAction | e8eba17a-6fc9-42aa-ad31-ecde1d259d72 | mp-773047 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural K3Nb6P3O24
_chemical_formula_sum "K3 Nb6 P3 O24"
_cell_length_a 8.52236369
_cell_length_b 8.52236369
_cell_length_c 8.52236338
_cell_angle_alpha 104.13103007
_cell_angle_beta 104.13103007
_cell_angle_gamma 104.13102101
_space_group... | data_image0
_chemical_formula_structural K3Nb6P3O24K3Nb6P3O24K3Nb6P3O24K3Nb6P3O24
_chemical_formula_sum "K12 Nb24 P12 O96"
_cell_length_a 34.08945476
_cell_length_b 8.52236369
_cell_length_c 8.52236338
_cell_angle_alpha 104.13103007
_cell_angle_beta 104.13103007
_cell_angle_g... |
SuperCellAction | a60af546-9fa9-4efa-9d77-3bd59f10f0cb | mp-766119 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Li8V8Si8O36
_chemical_formula_sum "Li8 V8 Si8 O36"
_cell_length_a 5.26542
_cell_length_b 8.415311
_cell_length_c 14.175306
_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 Li8V8Si8O36Li8V8Si8O36Li8V8Si8O36
_chemical_formula_sum "Li24 V24 Si24 O108"
_cell_length_a 5.26542
_cell_length_b 25.245933
_cell_length_c 14.175306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 9b3efc09-b9bb-4b0c-af80-a8aa320934a1 | mp-14926 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Sr8Sc4F28
_chemical_formula_sum "Sr8 Sc4 F28"
_cell_length_a 12.19979834
_cell_length_b 5.42556548
_cell_length_c 8.2382499
_cell_angle_alpha 89.47662819
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sr8Sc4F28Sr8Sc4F28Sr8Sc4F28Sr8Sc4F28
_chemical_formula_sum "Sr32 Sc16 F112"
_cell_length_a 12.19979834
_cell_length_b 10.85113096
_cell_length_c 16.4764998
_cell_angle_alpha 89.47662819
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | ec42f9b1-c1b4-44ab-8337-2606606f9ce9 | mp-759828 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20
_chemical_formula_sum "Li16 Mn16 V16 P32 H32 O160"
_cell_length_a 5.244304
_cell_length_b 14.703522059999997
_cell_length_c ... |
SuperCellAction | ac92c930-655a-4540-b628-1b02d13d06e7 | mp-2715503 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na96 Sc32 Si32 Ge32 P64 O384"
_cell_length_a 15.35080669
_cell_length_b 17.85085... |
SuperCellAction | e6d4d580-aa0e-4bb3-a378-75bb0e3c48bf | mp-1185821 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Mg16Ni8H32
_chemical_formula_sum "Mg16 Ni8 H32"
_cell_length_a 6.36824
_cell_length_b 6.455967
_cell_length_c 13.102415
_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 Mg16Ni8H32Mg16Ni8H32Mg16Ni8H32Mg16Ni8H32Mg16Ni8H32Mg16Ni8H32Mg16Ni8H32Mg16Ni8H32
_chemical_formula_sum "Mg128 Ni64 H256"
_cell_length_a 25.47296
_cell_length_b 12.911934
_cell_length_c 13.102415
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 2b8d7bea-962e-4c2d-8215-2dbfbc8bfa8a | mp-777622 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 5.272201
_cell_length_b 5.36776833
_cell_length_c 10.055078419999997
_cell_angle_alpha 95.35879639000001
_cell_angle_beta 100.39341786999998
_cell_angle_gamma 118.91149969... | data_image0
_chemical_formula_structural Li4Fe4F12Li4Fe4F12Li4Fe4F12Li4Fe4F12Li4Fe4F12Li4Fe4F12Li4Fe4F12Li4Fe4F12
_chemical_formula_sum "Li32 Fe32 F96"
_cell_length_a 10.544402
_cell_length_b 21.47107332
_cell_length_c 10.055078419999997
_cell_angle_alpha 95.35879639000001
_cell_... |
SuperCellAction | e56c39bb-d3cf-400a-ad8d-01a2093a0ee2 | mp-758495 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O28Li8Co8C8O28Li8Co8C8O28Li8Co8C8O28Li8Co8C8O28Li8Co8C8O28
_chemical_formula_sum "Li48 Co48 C48 O168"
_cell_length_a 6.246944
_cell_length_b 26.744363999999997
_cell_length_c 21.21705152
_cell_angle_alpha 67.07172826
_cell_angle_be... |
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