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 | 8c7a28af-77ef-4beb-892a-4e39fab38f42 | mp-1209658 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... | data_image0
_chemical_formula_structural Pr10C12Br6Pr10C12Br6Pr10C12Br6Pr10C12Br6Pr10C12Br6Pr10C12Br6
_chemical_formula_sum "Pr60 C72 Br36"
_cell_length_a 7.86997124
_cell_length_b 11.631626369999998
_cell_length_c 42.05923680000001
_cell_angle_alpha 79.80498043
_cell_angle_beta ... |
SuperCellAction | c5757acd-6479-4a3a-a611-19f519168a1a | mp-1179989 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16
_chemical_formula_sum "Pd16 C64 S64 I32 N128"
_cell_length_a 16.95524926
_cell_length_b 16.95524926
_cell_length_c 23.31902962
_cell_angle_alpha ... |
SuperCellAction | d895a978-c22d-440c-96f6-4bef447347c9 | mp-1043265 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Zn2Fe4O10
_chemical_formula_sum "Zn2 Fe4 O10"
_cell_length_a 5.57547502
_cell_length_b 5.57547502
_cell_length_c 11.038242
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.60332246
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn2Fe4O10Zn2Fe4O10Zn2Fe4O10Zn2Fe4O10
_chemical_formula_sum "Zn8 Fe16 O40"
_cell_length_a 5.57547502
_cell_length_b 5.57547502
_cell_length_c 44.152968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.60332246
_spa... |
SuperCellAction | 2d055eae-e01a-4be1-8caf-cc620ebb3ffa | mp-1047241 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Ca2MoWO6
_chemical_formula_sum "Ca2 Mo1 W1 O6"
_cell_length_a 5.605692
_cell_length_b 5.62752861
_cell_length_c 5.714742600000001
_cell_angle_alpha 60.58340427000001
_cell_angle_beta 60.6781164
_cell_angle_gamma 60.79860257000001
_... | data_image0
_chemical_formula_structural Ca2MoWO6Ca2MoWO6Ca2MoWO6
_chemical_formula_sum "Ca6 Mo3 W3 O18"
_cell_length_a 16.817076
_cell_length_b 5.62752861
_cell_length_c 5.714742600000001
_cell_angle_alpha 60.58340427000001
_cell_angle_beta 60.678116400000015
_cell_angle_gam... |
SuperCellAction | b8529621-84b9-403b-b499-f2df5820b8ed | mp-1517569 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural K4Eu4Sb4W4O24
_chemical_formula_sum "K4 Eu4 Sb4 W4 O24"
_cell_length_a 8.417926
_cell_length_b 8.40426722
_cell_length_c 8.44088553
_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 K4Eu4Sb4W4O24K4Eu4Sb4W4O24K4Eu4Sb4W4O24K4Eu4Sb4W4O24K4Eu4Sb4W4O24K4Eu4Sb4W4O24K4Eu4Sb4W4O24K4Eu4Sb4W4O24
_chemical_formula_sum "K32 Eu32 Sb32 W32 O192"
_cell_length_a 33.671704
_cell_length_b 8.40426722
_cell_length_c 16.88177106
_cell_angle_... |
SuperCellAction | 2ef3d075-b1c2-418a-86e7-beade57148aa | mp-1237057 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural CaTi2PbO6
_chemical_formula_sum "Ca1 Ti2 Pb1 O6"
_cell_length_a 3.901259
_cell_length_b 3.901259
_cell_length_c 8.1786
_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 CaTi2PbO6CaTi2PbO6CaTi2PbO6CaTi2PbO6
_chemical_formula_sum "Ca4 Ti8 Pb4 O24"
_cell_length_a 3.901259
_cell_length_b 3.901259
_cell_length_c 32.7144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | 72db60a6-f0be-4c54-938e-eae60b9170f7 | mp-29621 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Ba10Bi6
_chemical_formula_sum "Ba10 Bi6"
_cell_length_a 10.28896437
_cell_length_b 10.28890659
_cell_length_c 7.98879513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00024749999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Bi6Ba10Bi6
_chemical_formula_sum "Ba20 Bi12"
_cell_length_a 10.28896437
_cell_length_b 20.57781318
_cell_length_c 7.98879513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00024749999999
_space_group_name_H-... |
SuperCellAction | f352b33b-e299-4b65-a182-5b8648445bd0 | mp-753628 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li2V2F12Li2V2F12Li2V2F12Li2V2F12
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 5.44742697
_cell_length_b 10.89485394
_cell_length_c 17.33989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_gro... |
SuperCellAction | 4bb0ed22-2de1-44b9-a5d8-b0b5bf23aa62 | mp-1021415 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural La2Mg12Sn2
_chemical_formula_sum "La2 Mg12 Sn2"
_cell_length_a 5.253729
_cell_length_b 6.529946
_cell_length_c 11.951848
_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 La2Mg12Sn2La2Mg12Sn2La2Mg12Sn2La2Mg12Sn2La2Mg12Sn2La2Mg12Sn2
_chemical_formula_sum "La12 Mg72 Sn12"
_cell_length_a 10.507458
_cell_length_b 19.589838
_cell_length_c 11.951848
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 5cc3a7cc-e155-4374-a490-37a5543c09a9 | mp-26995 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Li2Co2P4O14
_chemical_formula_sum "Li2 Co2 P4 O14"
_cell_length_a 8.123492
_cell_length_b 4.868697
_cell_length_c 6.99665678
_cell_angle_alpha 71.49315879
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2Co2P4O14Li2Co2P4O14
_chemical_formula_sum "Li4 Co4 P8 O28"
_cell_length_a 8.123492
_cell_length_b 9.737394
_cell_length_c 6.99665678
_cell_angle_alpha 71.49315879
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | 4b61aa0a-93f6-4fef-86e5-f2fc04d4d964 | mp-756816 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Li3Fe3O8
_chemical_formula_sum "Li3 Fe3 O8"
_cell_length_a 5.87904966
_cell_length_b 5.87904966
_cell_length_c 5.87904966
_cell_angle_alpha 121.9109234
_cell_angle_beta 118.711455
_cell_angle_gamma 89.48438635
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li3Fe3O8Li3Fe3O8Li3Fe3O8Li3Fe3O8
_chemical_formula_sum "Li12 Fe12 O32"
_cell_length_a 5.87904966
_cell_length_b 11.75809932
_cell_length_c 11.75809932
_cell_angle_alpha 121.9109234
_cell_angle_beta 118.711455
_cell_angle_gamma 89.48... |
SuperCellAction | 4756e09f-b00a-446a-a0f8-dff167a22c9f | mp-661715 | Create a supercell with the size 2*1*3. | 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 Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2
_chemical_formula_sum "Ti12 S12 Cl72 O12"
_cell_length_a 13.264192
_cell_length_b 8.1887806
_cell_length_c 33.675450809999994
_cell_angle_alpha 108.50382951
_cell_angle_bet... |
SuperCellAction | d8a37e98-d193-47d0-970d-b344cc1668a9 | mp-510581 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4
_chemical_formula_sum "Pr2 Ni2 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4Pr2Ni2Sn2H4Pr2Ni2Sn2H4Pr2Ni2Sn2H4Pr2Ni2Sn2H4Pr2Ni2Sn2H4Pr2Ni2Sn2H4Pr2Ni2Sn2H4
_chemical_formula_sum "Pr16 Ni16 Sn16 H32"
_cell_length_a 8.82260024
_cell_length_b 4.41130012
_cell_length_c 34.265268
_cell_angle_alpha 90.0
_cell_a... |
SuperCellAction | 76ccedfb-e7da-417e-8e56-bc87b8614f58 | mp-1227512 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 Bi8Se6S6Bi8Se6S6Bi8Se6S6
_chemical_formula_sum "Bi24 Se18 S18"
_cell_length_a 4.10931
_cell_length_b 34.271385
_cell_length_c 11.8573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 40f3ae9e-92aa-4439-949a-8c007415431b | mp-1201549 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Fe2Sb12Pb8Se28
_chemical_formula_sum "Fe2 Sb12 Pb8 Se28"
_cell_length_a 20.154961
_cell_length_b 4.146023
_cell_length_c 16.841557159999997
_cell_angle_alpha 88.04478357
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Fe2Sb12Pb8Se28Fe2Sb12Pb8Se28Fe2Sb12Pb8Se28Fe2Sb12Pb8Se28
_chemical_formula_sum "Fe8 Sb48 Pb32 Se112"
_cell_length_a 20.154961
_cell_length_b 4.146023
_cell_length_c 67.36622863999999
_cell_angle_alpha 88.04478357
_cell_angle_beta 90.0
... |
SuperCellAction | fe37bcd5-031d-4023-8a85-e14b5257663a | mp-1021280 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Li2Mg12Bi2
_chemical_formula_sum "Li2 Mg12 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 Li2Mg12Bi2Li2Mg12Bi2Li2Mg12Bi2Li2Mg12Bi2Li2Mg12Bi2Li2Mg12Bi2
_chemical_formula_sum "Li12 Mg72 Bi12"
_cell_length_a 15.352749
_cell_length_b 6.489678
_cell_length_c 22.35166
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | c01545f4-202f-4a44-af4f-17d0d63e1da1 | mp-1217800 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... | data_image0
_chemical_formula_structural Ta12MoO33Ta12MoO33Ta12MoO33Ta12MoO33
_chemical_formula_sum "Ta48 Mo4 O132"
_cell_length_a 11.45759689
_cell_length_b 45.83038756
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_... |
SuperCellAction | 8be4a385-1826-49b9-a51f-1dd08716ace0 | mp-773076 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Li8Co16O32
_chemical_formula_sum "Li8 Co16 O32"
_cell_length_a 8.056096
_cell_length_b 8.056096
_cell_length_c 8.056096
_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 Li8Co16O32Li8Co16O32Li8Co16O32Li8Co16O32Li8Co16O32Li8Co16O32
_chemical_formula_sum "Li48 Co96 O192"
_cell_length_a 24.168288
_cell_length_b 16.112192
_cell_length_c 8.056096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 7a15718f-615b-462a-a4c0-0363b7ff155e | mp-1188770 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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_IT... | data_image0
_chemical_formula_structural Er12Co4Er12Co4Er12Co4
_chemical_formula_sum "Er36 Co12"
_cell_length_a 6.104596
_cell_length_b 20.516859
_cell_length_c 9.285942
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | 5a6171df-e6db-46dd-bd47-ae343573e9ac | mp-1037998 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 Mg30AlCdO32Mg30AlCdO32Mg30AlCdO32Mg30AlCdO32Mg30AlCdO32Mg30AlCdO32Mg30AlCdO32Mg30AlCdO32
_chemical_formula_sum "Mg240 Al8 Cd8 O256"
_cell_length_a 8.577996
_cell_length_b 34.311984
_cell_length_c 17.139274
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | 00045d15-2e34-44e0-9577-dda7f75985f0 | mp-2227915 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural MgTe4Mo3WS4
_chemical_formula_sum "Mg1 Te4 Mo3 W1 S4"
_cell_length_a 3.38244389
_cell_length_b 3.3819439799999995
_cell_length_c 41.22090745
_cell_angle_alpha 90.00130695999998
_cell_angle_beta 90.11736892000002
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural MgTe4Mo3WS4MgTe4Mo3WS4MgTe4Mo3WS4
_chemical_formula_sum "Mg3 Te12 Mo9 W3 S12"
_cell_length_a 3.38244389
_cell_length_b 10.145831939999999
_cell_length_c 41.22090745
_cell_angle_alpha 90.00130695999998
_cell_angle_beta 90.11736892000002... |
SuperCellAction | ba60c44b-3865-4420-a3de-458d9ea1f40a | mp-1228475 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28Ba10Mn2Co8O28Ba10Mn2Co8O28Ba10Mn2Co8O28
_chemical_formula_sum "Ba40 Mn8 Co32 O112"
_cell_length_a 11.579858
_cell_length_b 10.016607
_cell_length_c 24.1793662
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 8ccb988e-df2d-496d-abf3-effa30f75214 | mp-17620 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Tm6B6O18
_chemical_formula_sum "Tm6 B6 O18"
_cell_length_a 6.56371394
_cell_length_b 6.56371394
_cell_length_c 8.686243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999941
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tm6B6O18Tm6B6O18Tm6B6O18
_chemical_formula_sum "Tm18 B18 O54"
_cell_length_a 6.56371394
_cell_length_b 6.56371394
_cell_length_c 26.058729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999941
_space_group_nam... |
SuperCellAction | abb621fb-24c0-4ad7-a7ae-a49d86ca5c89 | mp-777800 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Fe4O6F2
_chemical_formula_sum "Fe4 O6 F2"
_cell_length_a 5.58597388
_cell_length_b 5.58597388
_cell_length_c 4.69974869
_cell_angle_alpha 86.87530886
_cell_angle_beta 86.87530886
_cell_angle_gamma 65.441805
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Fe4O6F2Fe4O6F2Fe4O6F2Fe4O6F2Fe4O6F2Fe4O6F2
_chemical_formula_sum "Fe24 O36 F12"
_cell_length_a 5.58597388
_cell_length_b 16.75792164
_cell_length_c 9.39949738
_cell_angle_alpha 86.87530886
_cell_angle_beta 86.87530886
_cell_angle_gamma... |
SuperCellAction | bd08da17-1605-4fb5-af29-23685ae5e846 | mp-697170 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Mg4H24Br8N8
_chemical_formula_sum "Mg4 H24 Br8 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_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 Mg4H24Br8N8Mg4H24Br8N8Mg4H24Br8N8Mg4H24Br8N8Mg4H24Br8N8Mg4H24Br8N8Mg4H24Br8N8Mg4H24Br8N8
_chemical_formula_sum "Mg32 H192 Br64 N64"
_cell_length_a 6.012089
_cell_length_b 16.093572
_cell_length_c 48.0243
_cell_angle_alpha 90.0
_cell_angle_... |
SuperCellAction | 2291a8f2-8096-4238-8063-3be96271fd82 | mp-757411 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... | data_image0
_chemical_formula_structural Li8Co4P8O28Li8Co4P8O28Li8Co4P8O28Li8Co4P8O28Li8Co4P8O28Li8Co4P8O28Li8Co4P8O28Li8Co4P8O28
_chemical_formula_sum "Li64 Co32 P64 O224"
_cell_length_a 10.1496628
_cell_length_b 35.29204784
_cell_length_c 13.29393763
_cell_angle_alpha 108.97349... |
SuperCellAction | dd5cbc2e-db74-455c-b369-64f2b4c36fd9 | mp-1036398 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_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 Mg14AlBO16Mg14AlBO16Mg14AlBO16Mg14AlBO16Mg14AlBO16Mg14AlBO16
_chemical_formula_sum "Mg84 Al6 B6 O96"
_cell_length_a 16.87980072
_cell_length_b 8.43990036
_cell_length_c 12.559159440000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | e7f79a51-92e9-4c4b-b654-9a87aeff8dcd | mp-1046855 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Ca2Sb4O8
_chemical_formula_sum "Ca2 Sb4 O8"
_cell_length_a 6.94412517
_cell_length_b 6.944125170000001
_cell_length_c 6.94412517
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Ca2Sb4O8Ca2Sb4O8Ca2Sb4O8
_chemical_formula_sum "Ca6 Sb12 O24"
_cell_length_a 6.94412517
_cell_length_b 6.944125170000001
_cell_length_c 20.83237551
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_ga... |
SuperCellAction | 7190e443-576d-4359-85d6-bbb1dc31c1c2 | mp-570610 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cd13I26Cd13I26
_chemical_formula_sum "Cd26 I52"
_cell_length_a 8.57525896
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt ... |
SuperCellAction | 5af0e30a-35f7-471d-aeb0-b79287a97bea | mp-1175691 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li36 Mn8 Co20 O64"
_cell_length_a 10.15327
_cell_length_b 10.28746306
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.3087953499... |
SuperCellAction | 24bd9e7f-7e71-45db-bab1-8430987712db | mp-1218051 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Ta4MoS8
_chemical_formula_sum "Ta4 Mo1 S8"
_cell_length_a 3.32250052
_cell_length_b 3.32250052
_cell_length_c 25.410429
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001028000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta4MoS8Ta4MoS8Ta4MoS8Ta4MoS8Ta4MoS8Ta4MoS8
_chemical_formula_sum "Ta24 Mo6 S48"
_cell_length_a 9.96750156
_cell_length_b 3.32250052
_cell_length_c 50.820858
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001028... |
SuperCellAction | 20ca7d45-11e1-450c-b475-6847cdd41504 | mp-782632 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Ni8S16O64Li8Ni8S16O64Li8Ni8S16O64Li8Ni8S16O64Li8Ni8S16O64Li8Ni8S16O64
_chemical_formula_sum "Li48 Ni48 S96 O384"
_cell_length_a 27.240111000000002
_cell_length_b 18.441238
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_ce... |
SuperCellAction | e6fcb32e-153a-4364-8275-18f95ea3013b | mp-1074751 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.96411
_cell_length_b 6.031043
_cell_length_c 7.63054751
_cell_angle_alpha 66.95852602
_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 Mg8Si4Mg8Si4Mg8Si4Mg8Si4
_chemical_formula_sum "Mg32 Si16"
_cell_length_a 11.92822
_cell_length_b 6.031043
_cell_length_c 15.26109502
_cell_angle_alpha 66.95852602
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SuperCellAction | 26a70d87-6a5c-478f-85e2-ada89b82a4b8 | mp-1207428 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4
_chemical_formula_sum "Zr32 Ni32 As32"
_cell_length_a 7.75509674
_cell_length_b 6.50261482
_cell_length_c 29.14437856
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | 2940a6b4-ef08-4ba4-aff3-bc7faae6d430 | mp-567381 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural K4Hg4C8
_chemical_formula_sum "K4 Hg4 C8"
_cell_length_a 17.91584894
_cell_length_b 17.486908269999997
_cell_length_c 5.171992299999999
_cell_angle_alpha 86.33461668
_cell_angle_beta 76.92162255
_cell_angle_gamma 16.743760769999987
... | data_image0
_chemical_formula_structural K4Hg4C8K4Hg4C8K4Hg4C8K4Hg4C8
_chemical_formula_sum "K16 Hg16 C32"
_cell_length_a 17.91584894
_cell_length_b 34.973816539999994
_cell_length_c 10.343984599999999
_cell_angle_alpha 86.33461668
_cell_angle_beta 76.92162255
_cell_angle_gam... |
SuperCellAction | 6b8da544-7c82-48d0-8d16-b89fd3fe6111 | mp-1508 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 La8S16La8S16La8S16La8S16La8S16La8S16
_chemical_formula_sum "La48 S96"
_cell_length_a 12.47781981
_cell_length_b 8.17723374
_cell_length_c 32.81055224
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 3d0bb4d2-20a7-4511-bf2f-1d59c6ccfa70 | mp-781738 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O32Na12V4B8S2O32Na12V4B8S2O32Na12V4B8S2O32
_chemical_formula_sum "Na48 V16 B32 S8 O128"
_cell_length_a 19.87087434
_cell_length_b 9.93543717
_cell_length_c 19.87087434
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.9... |
SuperCellAction | 829ae8dc-2ad2-4e48-85d0-6c342f0a7a3c | mp-766361 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb20O50Nb20O50Nb20O50Nb20O50Nb20O50Nb20O50
_chemical_formula_sum "Nb120 O300"
_cell_length_a 11.51573649
_cell_length_b 15.46243044
_cell_length_c 34.17292647
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma... |
SuperCellAction | 4a8b96b3-f681-4e85-a058-333e207166dc | mp-1173920 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_g... | data_image0
_chemical_formula_structural Li4Mn2Co2O8Li4Mn2Co2O8Li4Mn2Co2O8Li4Mn2Co2O8Li4Mn2Co2O8Li4Mn2Co2O8
_chemical_formula_sum "Li24 Mn12 Co12 O48"
_cell_length_a 5.047436
_cell_length_b 15.24916134
_cell_length_c 12.1880895
_cell_angle_alpha 91.46642466000002
_cell_angle_beta... |
SuperCellAction | 71f2485f-8063-4dd7-b6a2-2bff9f7d39b8 | mp-1193845 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al7Cu16Ho6Al7Cu16Ho6Al7Cu16Ho6Al7Cu16Ho6Al7Cu16Ho6Al7Cu16
_chemical_formula_sum "Ho36 Al42 Cu96"
_cell_length_a 26.11546869
_cell_length_b 17.41031246
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59... |
SuperCellAction | 19c219c0-e92e-4a0b-956a-db2d88c1cd14 | mp-1207428 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4
_chemical_formula_sum "Zr32 Ni32 As32"
_cell_length_a 7.75509674
_cell_length_b 26.01045928
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | 5fd3be1e-f99c-4e1b-9e82-5ac90090f082 | mp-756426 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Zr2Nb2O8
_chemical_formula_sum "Zr2 Nb2 O8"
_cell_length_a 6.36032836
_cell_length_b 6.36032836
_cell_length_c 5.14539008
_cell_angle_alpha 68.33015732
_cell_angle_beta 68.33015732
_cell_angle_gamma 113.67927965
_space_group_name_H... | data_image0
_chemical_formula_structural Zr2Nb2O8Zr2Nb2O8Zr2Nb2O8Zr2Nb2O8Zr2Nb2O8Zr2Nb2O8Zr2Nb2O8Zr2Nb2O8
_chemical_formula_sum "Zr16 Nb16 O64"
_cell_length_a 6.36032836
_cell_length_b 25.44131344
_cell_length_c 10.29078016
_cell_angle_alpha 68.33015732
_cell_angle_beta 68.33... |
SuperCellAction | f0122572-5fb1-4a39-8caf-3285c72919bd | mp-2223616 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgCuH4O2F2MgCuH4O2F2
_chemical_formula_sum "Mg2 Cu2 H8 O4 F4"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 12.417473160000002
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma ... |
SuperCellAction | e86c080a-9f9e-49a7-be12-ae6253ee6267 | mp-4279 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Ca4Ge8O20
_chemical_formula_sum "Ca4 Ge8 O20"
_cell_length_a 5.73313539
_cell_length_b 7.32176262
_cell_length_c 8.30649173
_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 Ca4Ge8O20Ca4Ge8O20Ca4Ge8O20
_chemical_formula_sum "Ca12 Ge24 O60"
_cell_length_a 5.73313539
_cell_length_b 21.96528786
_cell_length_c 8.30649173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | 3a2f8b63-a5c0-4fd1-a6d9-b19d4f01f493 | mp-30012 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Bi4Kr4F28Bi4Kr4F28Bi4Kr4F28Bi4Kr4F28Bi4Kr4F28Bi4Kr4F28Bi4Kr4F28Bi4Kr4F28
_chemical_formula_sum "Bi32 Kr32 F224"
_cell_length_a 42.37287096
_cell_length_b 10.58250472
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta... |
SuperCellAction | 55e9435a-eac9-4d97-b035-ca903533d72f | mp-740718 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24Al8H48N16Cl24
_chemical_formula_sum "Al48 H288 N96 Cl144"
_cell_length_a 13.173676
_cell_length_b 11.505036
_cell_length_c 54.98040900000001
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | 105b1e25-9c25-478d-b23a-c425f9d1601b | mp-752785 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4U4O17Sm4U4O17Sm4U4O17Sm4U4O17
_chemical_formula_sum "Sm16 U16 O68"
_cell_length_a 37.44298188
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000... |
SuperCellAction | baf6edc5-384f-4edc-a636-0e3b63f3df3a | mp-721707 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H24C12N16O12H24C12N16O12H24C12N16O12H24C12N16O12
_chemical_formula_sum "H96 C48 N64 O48"
_cell_length_a 10.02493468
_cell_length_b 5.01246734
_cell_length_c 42.81061556
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.9827534199... |
SuperCellAction | 8b2dd279-badb-42ce-b9d5-b4bd0e1475eb | mp-1078280 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Ca4Ga2Pd4
_chemical_formula_sum "Ca4 Ga2 Pd4"
_cell_length_a 5.71127494
_cell_length_b 5.71127494
_cell_length_c 7.784373920000001
_cell_angle_alpha 78.83040982
_cell_angle_beta 78.83040982
_cell_angle_gamma 59.933964769999996
_spa... | data_image0
_chemical_formula_structural Ca4Ga2Pd4Ca4Ga2Pd4Ca4Ga2Pd4Ca4Ga2Pd4Ca4Ga2Pd4Ca4Ga2Pd4
_chemical_formula_sum "Ca24 Ga12 Pd24"
_cell_length_a 17.13382482
_cell_length_b 5.71127494
_cell_length_c 15.568747840000002
_cell_angle_alpha 78.83040982
_cell_angle_beta 78.8304... |
SuperCellAction | 0fecd001-b76c-41f6-9b51-0f66d11acc22 | mp-2228948 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10MgSb2P2H2O10
_chemical_formula_sum "Mg2 Sb4 P4 H4 O20"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 10.41372662
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma... |
SuperCellAction | ecc1f83a-cd61-4aae-a92a-02d8dc942d4a | mp-1078929 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Hg4Br4N2
_chemical_formula_sum "Hg4 Br4 N2"
_cell_length_a 7.20815582
_cell_length_b 7.208155820000001
_cell_length_c 6.247823
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999833000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Hg4Br4N2Hg4Br4N2Hg4Br4N2Hg4Br4N2Hg4Br4N2Hg4Br4N2
_chemical_formula_sum "Hg24 Br24 N12"
_cell_length_a 7.20815582
_cell_length_b 21.624467459999998
_cell_length_c 12.495646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 671424a7-067f-4354-a1ca-fa68fa07910f | mp-1212544 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Na3V3H6O7
_chemical_formula_sum "Na3 V3 H6 O7"
_cell_length_a 11.36722494
_cell_length_b 9.53428863
_cell_length_c 9.20006227
_cell_angle_alpha 116.24429008
_cell_angle_beta 99.17871412
_cell_angle_gamma 91.60163884
_space_group_na... | data_image0
_chemical_formula_structural Na3V3H6O7Na3V3H6O7
_chemical_formula_sum "Na6 V6 H12 O14"
_cell_length_a 22.73444988
_cell_length_b 9.53428863
_cell_length_c 9.20006227
_cell_angle_alpha 116.24429008
_cell_angle_beta 99.17871412
_cell_angle_gamma 91.60163884
_spa... |
SuperCellAction | 3fdf972e-18dc-412b-a94c-7ffcb7408e98 | mp-771136 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... | data_image0
_chemical_formula_structural Ho4Se6O24Ho4Se6O24Ho4Se6O24Ho4Se6O24Ho4Se6O24Ho4Se6O24Ho4Se6O24Ho4Se6O24
_chemical_formula_sum "Ho32 Se48 O192"
_cell_length_a 39.33242348
_cell_length_b 9.83317571
_cell_length_c 19.66622662
_cell_angle_alpha 58.05414921999998
_cell_angle... |
SuperCellAction | b8280478-d8a3-4f3d-b63b-74d2749d5a44 | mp-775339 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si12O30Li4V2Si12O30Li4V2Si12O30Li4V2Si12O30Li4V2Si12O30Li4V2Si12O30Li4V2Si12O30Li4V2Si12O30
_chemical_formula_sum "Li32 V16 Si96 O240"
_cell_length_a 9.75245569
_cell_length_b 19.50491138
_cell_length_c 39.009822760000006
_cell_angle_alp... |
SuperCellAction | 0c02c691-35fa-4391-a421-47464d26415e | mp-1213259 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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_IT... | data_image0
_chemical_formula_structural Mn32Sn20Mn32Sn20Mn32Sn20Mn32Sn20Mn32Sn20Mn32Sn20
_chemical_formula_sum "Mn192 Sn120"
_cell_length_a 10.9128
_cell_length_b 22.530204
_cell_length_c 21.53213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 7ab6fd7f-99d4-4958-b5ed-2ba47e44fe01 | mp-1226671 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... | data_image0
_chemical_formula_structural Co4P6H22N4O18Co4P6H22N4O18Co4P6H22N4O18
_chemical_formula_sum "Co12 P18 H66 N12 O54"
_cell_length_a 5.43236963
_cell_length_b 16.29710889
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99... |
SuperCellAction | b09e7cb6-b59f-4a8e-a1a0-b237f888ea0e | mp-1173581 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_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 Na8Ti8P8O40Na8Ti8P8O40
_chemical_formula_sum "Na16 Ti16 P16 O80"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 25.45454982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | 5bee0aa8-5582-4f42-9b51-b4503a059549 | mp-1233593 | Create a supercell with the size 3X1X1. | 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 Ho2MgAg2W4O16Ho2MgAg2W4O16Ho2MgAg2W4O16
_chemical_formula_sum "Ho6 Mg3 Ag6 W12 O48"
_cell_length_a 22.40568846
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_a... |
SuperCellAction | 0419dd26-85b4-4f9a-97e9-019067c8c7b4 | mp-2226963 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Rb3NaMgW2O8
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_gr... | data_image0
_chemical_formula_structural Rb3NaMgW2O8Rb3NaMgW2O8Rb3NaMgW2O8Rb3NaMgW2O8
_chemical_formula_sum "Rb12 Na4 Mg4 W8 O32"
_cell_length_a 7.19381107
_cell_length_b 12.50564866
_cell_length_c 16.15538822
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_a... |
SuperCellAction | 3f11f170-211c-421c-909e-50b4506d964d | mp-1198084 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Ca6S6O27
_chemical_formula_sum "Ca6 S6 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... | data_image0
_chemical_formula_structural Ca6S6O27Ca6S6O27Ca6S6O27Ca6S6O27
_chemical_formula_sum "Ca24 S24 O108"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 48.80206064
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_... |
SuperCellAction | 1731477a-d85c-4033-a4b7-7412ae19d912 | mp-770417 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24
_chemical_formula_sum "Li32 Mn16 V8 Ni24 P48 O192"
_cell_length_a 33.89819268
_cell_length_b 17.64452544
_cell_length_c 8... |
SuperCellAction | 588c9eba-f19c-4241-a4d2-dcbbd399c0d0 | mp-1245067 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... | data_image0
_chemical_formula_structural Al200
_chemical_formula_sum "Al200"
_cell_length_a 23.96661584
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... |
SuperCellAction | a9d5e739-c76f-4f72-9d17-dfb83c4a9a79 | mp-754801 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O13Li3Ti6O13Li3Ti6O13
_chemical_formula_sum "Li9 Ti18 O39"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 31.544076840000002
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.5... |
SuperCellAction | 37371cd1-67dc-4a14-9d81-9e3724aebf84 | mp-1185731 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... | data_image0
_chemical_formula_structural Mg16ScAl12Mg16ScAl12Mg16ScAl12Mg16ScAl12
_chemical_formula_sum "Mg64 Sc4 Al48"
_cell_length_a 9.16029477
_cell_length_b 36.64117908
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_... |
SuperCellAction | 5c22427e-70aa-4993-8784-b548a4db46fd | mp-1111627 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2NaPdF6K2NaPdF6K2NaPdF6K2NaPdF6K2NaPdF6K2NaPdF6K2NaPdF6K2NaPdF6
_chemical_formula_sum "K16 Na8 Pd8 F48"
_cell_length_a 6.08531146
_cell_length_b 12.17062292
_cell_length_c 24.34124584
_cell_angle_alpha 59.999999999999986
_cell_angle_beta ... |
SuperCellAction | 31b276c6-325d-49e8-abf1-1b67ca2fb61e | mp-1174239 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8Co6O14Li8Co6O14Li8Co6O14
_chemical_formula_sum "Li24 Co18 O42"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 31.001772509999995
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.44... |
SuperCellAction | 1024f6a9-1435-4b09-b996-d30c3612f873 | mp-558194 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Na2La2Mg2W2O12
_chemical_formula_sum "Na2 La2 Mg2 W2 O12"
_cell_length_a 5.60498325
_cell_length_b 5.604983250000001
_cell_length_c 7.958433200000001
_cell_angle_alpha 89.95392383
_cell_angle_beta 89.95392383
_cell_angle_gamma 90.61... | data_image0
_chemical_formula_structural Na2La2Mg2W2O12Na2La2Mg2W2O12Na2La2Mg2W2O12Na2La2Mg2W2O12Na2La2Mg2W2O12Na2La2Mg2W2O12
_chemical_formula_sum "Na12 La12 Mg12 W12 O72"
_cell_length_a 11.2099665
_cell_length_b 5.604983250000001
_cell_length_c 23.875299599999998
_cell_angle_alpha... |
SuperCellAction | 1fa3aca9-e937-46fa-8cf7-959ee6394248 | mp-779083 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... | data_image0
_chemical_formula_structural Li2V3SnO8Li2V3SnO8Li2V3SnO8Li2V3SnO8Li2V3SnO8Li2V3SnO8
_chemical_formula_sum "Li12 V18 Sn6 O48"
_cell_length_a 6.04731611
_cell_length_b 18.141948329999998
_cell_length_c 12.09463272
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96... |
SuperCellAction | ecaa8718-f149-46eb-9564-633d5f21ea50 | mp-562403 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Cs4As4O4F16
_chemical_formula_sum "Cs4 As4 O4 F16"
_cell_length_a 6.48014715
_cell_length_b 5.12260146
_cell_length_c 14.13646541
_cell_angle_alpha 83.90329683
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4As4O4F16Cs4As4O4F16
_chemical_formula_sum "Cs8 As8 O8 F32"
_cell_length_a 6.48014715
_cell_length_b 10.24520292
_cell_length_c 14.13646541
_cell_angle_alpha 83.90329683
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 3ab2a8c3-31c0-4c45-971a-a581c68c1349 | mp-29185 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O6F4Te4O6F4Te4O6F4Te4O6F4Te4O6F4Te4O6F4
_chemical_formula_sum "Te24 O36 F24"
_cell_length_a 15.436799790000002
_cell_length_b 12.50129768
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999... |
SuperCellAction | a19e7809-5b52-4da0-913d-80fc3e73bbf0 | mp-776521 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Ti3V2SbP6O24
_chemical_formula_sum "Ti3 V2 Sb1 P6 O24"
_cell_length_a 8.68819717
_cell_length_b 8.68819717
_cell_length_c 8.68819765
_cell_angle_alpha 60.802887500000004
_cell_angle_beta 60.802887500000004
_cell_angle_gamma 60.80288... | data_image0
_chemical_formula_structural Ti3V2SbP6O24Ti3V2SbP6O24Ti3V2SbP6O24Ti3V2SbP6O24Ti3V2SbP6O24Ti3V2SbP6O24Ti3V2SbP6O24Ti3V2SbP6O24
_chemical_formula_sum "Ti24 V16 Sb8 P48 O192"
_cell_length_a 8.68819717
_cell_length_b 34.75278868
_cell_length_c 17.3763953
_cell_angle_alpha ... |
SuperCellAction | 3502c35b-0ef9-49c5-b125-fd8b0cce376c | mp-1188903 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Pt2Cl8O10
_chemical_formula_sum "Pt2 Cl8 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_nam... | data_image0
_chemical_formula_structural Pt2Cl8O10Pt2Cl8O10Pt2Cl8O10
_chemical_formula_sum "Pt6 Cl24 O30"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 33.56773833
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.9326660... |
SuperCellAction | 86612902-c711-4e0b-8063-3c8660f611ef | mp-1016677 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Mg12Cr2C2
_chemical_formula_sum "Mg12 Cr2 C2"
_cell_length_a 3.111152
_cell_length_b 9.703971
_cell_length_c 10.344159
_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 Mg12Cr2C2Mg12Cr2C2Mg12Cr2C2Mg12Cr2C2Mg12Cr2C2Mg12Cr2C2Mg12Cr2C2Mg12Cr2C2
_chemical_formula_sum "Mg96 Cr16 C16"
_cell_length_a 6.222304
_cell_length_b 38.815884
_cell_length_c 10.344159
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 4e6175cc-947b-4411-bc6b-78a7b99692c1 | mp-1194096 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... | data_image0
_chemical_formula_structural Sr8Ni4Se12O36Sr8Ni4Se12O36
_chemical_formula_sum "Sr16 Ni8 Se24 O72"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 25.977927740000002
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_ga... |
SuperCellAction | de097dfd-34e0-45e9-834b-8ebbb504ec41 | mp-761020 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Co8O4F12
_chemical_formula_sum "Co8 O4 F12"
_cell_length_a 5.61457836
_cell_length_b 5.61457836
_cell_length_c 10.15479898
_cell_angle_alpha 70.44611164
_cell_angle_beta 70.44611164
_cell_angle_gamma 67.69860746
_space_group_name_H... | data_image0
_chemical_formula_structural Co8O4F12Co8O4F12Co8O4F12Co8O4F12Co8O4F12Co8O4F12Co8O4F12Co8O4F12
_chemical_formula_sum "Co64 O32 F96"
_cell_length_a 5.61457836
_cell_length_b 11.22915672
_cell_length_c 40.61919592
_cell_angle_alpha 70.44611164
_cell_angle_beta 70.446... |
SuperCellAction | 2f21efe7-bffb-4e90-9f03-2637bb82037a | mp-1047132 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... | data_image0
_chemical_formula_structural Ca2Ag4O8Ca2Ag4O8Ca2Ag4O8
_chemical_formula_sum "Ca6 Ag12 O24"
_cell_length_a 22.902432270000002
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_ga... |
SuperCellAction | adeb652b-abc3-4a93-a712-4a848b38275f | mp-626083 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Si4H4O10
_chemical_formula_sum "Si4 H4 O10"
_cell_length_a 8.9706373
_cell_length_b 8.9706373
_cell_length_c 5.22221603
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_gamma 37.204511430000004
_space_group_na... | data_image0
_chemical_formula_structural Si4H4O10Si4H4O10Si4H4O10Si4H4O10Si4H4O10Si4H4O10
_chemical_formula_sum "Si24 H24 O60"
_cell_length_a 26.9119119
_cell_length_b 8.9706373
_cell_length_c 10.44443206
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_... |
SuperCellAction | f7b93b48-4520-42c8-8c21-ac52ebf0f593 | mp-19265 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Dy4Ni4O12
_chemical_formula_sum "Dy4 Ni4 O12"
_cell_length_a 5.15399503
_cell_length_b 5.49893767
_cell_length_c 7.390526829999999
_cell_angle_alpha 89.99977502
_cell_angle_beta 89.99809542
_cell_angle_gamma 90.00004845000001
_spac... | data_image0
_chemical_formula_structural Dy4Ni4O12Dy4Ni4O12Dy4Ni4O12Dy4Ni4O12Dy4Ni4O12Dy4Ni4O12Dy4Ni4O12Dy4Ni4O12
_chemical_formula_sum "Dy32 Ni32 O96"
_cell_length_a 20.61598012
_cell_length_b 10.99787534
_cell_length_c 7.390526829999999
_cell_angle_alpha 89.99977502
_cell_angle... |
SuperCellAction | 67a2e3d6-f8d5-492a-ad58-f0853b478035 | 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 | 7d26ce0e-a91f-4a8c-bf61-043143ae6d20 | mp-753857 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Mn4O4F6
_chemical_formula_sum "Mn4 O4 F6"
_cell_length_a 5.55561473
_cell_length_b 5.55561473
_cell_length_c 6.933818450000001
_cell_angle_alpha 73.05685679
_cell_angle_beta 73.05685679
_cell_angle_gamma 54.0499085
_space_group_nam... | data_image0
_chemical_formula_structural Mn4O4F6Mn4O4F6Mn4O4F6Mn4O4F6
_chemical_formula_sum "Mn16 O16 F24"
_cell_length_a 5.55561473
_cell_length_b 5.55561473
_cell_length_c 27.735273800000005
_cell_angle_alpha 73.05685679
_cell_angle_beta 73.05685679
_cell_angle_gamma 54.... |
SuperCellAction | 9ce6bade-3469-475e-b163-cdce7456d4f5 | mp-759335 | Create a supercell with the size 2*1*3. | 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 Li10V6P16O58Li10V6P16O58Li10V6P16O58Li10V6P16O58Li10V6P16O58Li10V6P16O58
_chemical_formula_sum "Li60 V36 P96 O348"
_cell_length_a 19.581484
_cell_length_b 9.80038608
_cell_length_c 42.311151210000006
_cell_angle_alpha 89.55844878
_cell_ang... |
SuperCellAction | 7de4d339-53f0-4acf-a7ac-bcd8a853cccc | mp-1212504 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P12H20W4O36Nd8P12H20W4O36Nd8P12H20W4O36Nd8P12H20W4O36Nd8P12H20W4O36Nd8P12H20W4O36Nd8P12H20W4O36Nd8P12H20W4O36
_chemical_formula_sum "Nd64 P96 H160 W32 O288"
_cell_length_a 35.24948
_cell_length_b 19.718248
_cell_length_c 13.547116570000002... |
SuperCellAction | 8d9fe3d0-b424-4b7b-8611-31f021ae4010 | mp-1028120 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural CaMg14CCaMg14CCaMg14CCaMg14C
_chemical_formula_sum "Ca4 Mg56 C4"
_cell_length_a 6.42100773
_cell_length_b 25.6840288
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_grou... |
SuperCellAction | 83ce900b-9495-4194-ac12-90efd75a5b09 | mp-606121 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Ce4Bi10Rh6
_chemical_formula_sum "Ce4 Bi10 Rh6"
_cell_length_a 13.88962224
_cell_length_b 13.88962224
_cell_length_c 7.577222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.66538879
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Bi10Rh6Ce4Bi10Rh6Ce4Bi10Rh6Ce4Bi10Rh6Ce4Bi10Rh6Ce4Bi10Rh6
_chemical_formula_sum "Ce24 Bi60 Rh36"
_cell_length_a 27.77924448
_cell_length_b 41.668866720000004
_cell_length_c 7.577222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | dc25b492-9904-40ba-b781-13775dc1a7d8 | mp-554765 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSb2F12BaSb2F12BaSb2F12BaSb2F12BaSb2F12BaSb2F12BaSb2F12BaSb2F12
_chemical_formula_sum "Ba8 Sb16 F96"
_cell_length_a 22.08418688
_cell_length_b 5.60524567
_cell_length_c 18.79181318
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.804... |
SuperCellAction | 27703d5e-f9f8-41a9-b4d4-46ce757a4966 | mp-1105809 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Ce8Se6N4
_chemical_formula_sum "Ce8 Se6 N4"
_cell_length_a 8.33568922
_cell_length_b 8.33568922
_cell_length_c 6.50426929
_cell_angle_alpha 90.17803823
_cell_angle_beta 90.17803823
_cell_angle_gamma 75.50873806
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce8Se6N4Ce8Se6N4Ce8Se6N4Ce8Se6N4
_chemical_formula_sum "Ce32 Se24 N16"
_cell_length_a 8.33568922
_cell_length_b 16.67137844
_cell_length_c 13.00853858
_cell_angle_alpha 90.17803823
_cell_angle_beta 90.17803823
_cell_angle_gamma 75.5... |
SuperCellAction | 970090f0-fad2-4c76-9799-e33e200aace7 | mp-5794 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Zn2Ga4O8
_chemical_formula_sum "Zn2 Ga4 O8"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... | data_image0
_chemical_formula_structural Zn2Ga4O8Zn2Ga4O8Zn2Ga4O8Zn2Ga4O8
_chemical_formula_sum "Zn8 Ga16 O32"
_cell_length_a 11.79790448
_cell_length_b 5.898952539999999
_cell_length_c 11.79790422
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_... |
SuperCellAction | d7d1af8f-b606-4678-9f4c-d77485a56f76 | mp-1101376 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Ta4Ge4O14
_chemical_formula_sum "Ta4 Ge4 O14"
_cell_length_a 13.66819192
_cell_length_b 13.66819192
_cell_length_c 5.791745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.60802685
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ta4Ge4O14Ta4Ge4O14Ta4Ge4O14Ta4Ge4O14
_chemical_formula_sum "Ta16 Ge16 O56"
_cell_length_a 13.66819192
_cell_length_b 13.66819192
_cell_length_c 23.16698
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.60802685
_s... |
SuperCellAction | b1e8233c-3780-409e-8d90-7e850b6decaf | mp-1112279 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural K2AgPdF6
_chemical_formula_sum "K2 Ag1 Pd1 F6"
_cell_length_a 6.19613065
_cell_length_b 6.196130650000001
_cell_length_c 6.19613065
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural K2AgPdF6K2AgPdF6K2AgPdF6K2AgPdF6K2AgPdF6K2AgPdF6
_chemical_formula_sum "K12 Ag6 Pd6 F36"
_cell_length_a 12.3922613
_cell_length_b 6.196130650000001
_cell_length_c 18.58839195
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999... |
SuperCellAction | 545dfd03-657a-4569-8e1e-a76e371531bc | mp-34009 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Ce2Sm4S8
_chemical_formula_sum "Ce2 Sm4 S8"
_cell_length_a 7.38715013
_cell_length_b 7.38715013
_cell_length_c 7.38715013
_cell_angle_alpha 109.54757916999999
_cell_angle_beta 109.54757916999999
_cell_angle_gamma 109.31861126
_spac... | data_image0
_chemical_formula_structural Ce2Sm4S8Ce2Sm4S8Ce2Sm4S8Ce2Sm4S8Ce2Sm4S8Ce2Sm4S8
_chemical_formula_sum "Ce12 Sm24 S48"
_cell_length_a 22.16145039
_cell_length_b 7.38715013
_cell_length_c 14.77430026
_cell_angle_alpha 109.54757916999999
_cell_angle_beta 109.5475791699... |
SuperCellAction | 37afd988-9d06-4088-83c2-d3c3a361669b | mp-1341052 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Ca4W4O10
_chemical_formula_sum "Ca4 W4 O10"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_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 Ca4W4O10Ca4W4O10Ca4W4O10Ca4W4O10
_chemical_formula_sum "Ca16 W16 O40"
_cell_length_a 3.976709
_cell_length_b 21.969012
_cell_length_c 10.984542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | b4e1a5df-a84b-41b5-9e26-776784e5b5ec | mp-674329 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural La4Cd2Te8
_chemical_formula_sum "La4 Cd2 Te8"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_space_gr... | data_image0
_chemical_formula_structural La4Cd2Te8La4Cd2Te8La4Cd2Te8La4Cd2Te8La4Cd2Te8La4Cd2Te8
_chemical_formula_sum "La24 Cd12 Te48"
_cell_length_a 8.40221564
_cell_length_b 16.80443128
_cell_length_c 25.206646919999997
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27... |
SuperCellAction | 2247c537-a007-419c-9083-5d3a2542eebf | mp-771159 | Create a supercell with the size 1×2×1. | 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 Li4V6W2O16Li4V6W2O16
_chemical_formula_sum "Li8 V12 W4 O32"
_cell_length_a 6.11881642
_cell_length_b 21.117733979999997
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamm... |
SuperCellAction | 437fa0bc-53a9-4418-aeac-9aa068e2de1f | mp-680301 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32K24As8O32K24As8O32K24As8O32K24As8O32K24As8O32
_chemical_formula_sum "K144 As48 O192"
_cell_length_a 8.27960089
_cell_length_b 24.83880267
_cell_length_c 33.78123204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 2688fd33-35c4-48ff-b86e-0de3b6067b01 | mp-766529 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.136106
_cell_length_b 6.43709
_cell_length_c 10.844521
_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 Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16
_chemical_formula_sum "Li32 Fe32 Si32 O128"
_cell_length_a 10.272212
_cell_length_b 6.43709
_cell_length_c 43.378084
_cell_angle_alpha 90.0
_c... |
SuperCellAction | 245fec5b-7b17-4c8e-a5c8-5b4ef5728643 | mp-772666 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... | data_image0
_chemical_formula_structural Li4Cr4O14Li4Cr4O14Li4Cr4O14Li4Cr4O14Li4Cr4O14Li4Cr4O14
_chemical_formula_sum "Li24 Cr24 O84"
_cell_length_a 22.086402
_cell_length_b 14.44749266
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.107478... |
SuperCellAction | d688010c-5898-4ae0-a62b-d903f1e3b232 | mp-1106406 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Ce4Sn2S10
_chemical_formula_sum "Ce4 Sn2 S10"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_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 Ce4Sn2S10Ce4Sn2S10Ce4Sn2S10
_chemical_formula_sum "Ce12 Sn6 S30"
_cell_length_a 3.93351799
_cell_length_b 23.63186841
_cell_length_c 11.4720556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 7d46318a-4891-41cf-8b40-00012ddafa14 | mp-1213210 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Dy4Au10F42
_chemical_formula_sum "Dy4 Au10 F42"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491999999... | data_image0
_chemical_formula_structural Dy4Au10F42Dy4Au10F42Dy4Au10F42Dy4Au10F42Dy4Au10F42Dy4Au10F42Dy4Au10F42Dy4Au10F42
_chemical_formula_sum "Dy32 Au80 F336"
_cell_length_a 16.215588
_cell_length_b 9.192033930000001
_cell_length_c 48.63894448
_cell_angle_alpha 89.1409303299999... |
SuperCellAction | 329b5eb1-81b6-43bd-86ac-5267018f94fe | mp-30949 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Sr12Si4O4
_chemical_formula_sum "Sr12 Si4 O4"
_cell_length_a 7.15066135
_cell_length_b 7.13016274
_cell_length_c 10.10705953
_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 Sr12Si4O4Sr12Si4O4
_chemical_formula_sum "Sr24 Si8 O8"
_cell_length_a 7.15066135
_cell_length_b 14.26032548
_cell_length_c 10.10705953
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | dc703921-4b99-4685-a9f8-969e1e5c0ea1 | mp-1210185 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Na4Y2Ir3O12
_chemical_formula_sum "Na4 Y2 Ir3 O12"
_cell_length_a 9.48034113
_cell_length_b 9.48034113
_cell_length_c 3.208925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na4Y2Ir3O12Na4Y2Ir3O12Na4Y2Ir3O12Na4Y2Ir3O12Na4Y2Ir3O12Na4Y2Ir3O12
_chemical_formula_sum "Na24 Y12 Ir18 O72"
_cell_length_a 18.96068226
_cell_length_b 28.441023389999998
_cell_length_c 3.208925
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
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