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 | c0b9c942-82e8-4352-8c55-509b15a2530e | mp-771159 | Create a supercell with the size 2*1*2. | 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 Li4V6W2O16Li4V6W2O16Li4V6W2O16Li4V6W2O16
_chemical_formula_sum "Li16 V24 W8 O64"
_cell_length_a 12.23763284
_cell_length_b 10.558866989999999
_cell_length_c 12.072156839999998
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603... |
SuperCellAction | 96662300-ac60-4c94-a13b-4d46bf89bdf1 | mp-505712 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6Cs2Ho2Zn2Se6Cs2Ho2Zn2Se6Cs2Ho2Zn2Se6Cs2Ho2Zn2Se6Cs2Ho2Zn2Se6Cs2Ho2Zn2Se6Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs16 Ho16 Zn16 Se48"
_cell_length_a 33.13793536
_cell_length_b 16.56896768
_cell_length_c 10.92566093
_cell_angle_alpha ... |
SuperCellAction | 439c0f01-9933-47b5-b5c5-b9b293b60acb | mp-1193265 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_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 Na12Sb4Se12Na12Sb4Se12Na12Sb4Se12Na12Sb4Se12Na12Sb4Se12Na12Sb4Se12
_chemical_formula_sum "Na72 Sb24 Se72"
_cell_length_a 8.99223911
_cell_length_b 26.97671733
_cell_length_c 17.98447822
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | 09f37985-7ad1-46eb-938d-98e0d4b0ab30 | mp-1191147 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Sm2Fe12P7
_chemical_formula_sum "Sm2 Fe12 P7"
_cell_length_a 9.02490835
_cell_length_b 9.02490835
_cell_length_c 3.659076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sm2Fe12P7Sm2Fe12P7Sm2Fe12P7Sm2Fe12P7
_chemical_formula_sum "Sm8 Fe48 P28"
_cell_length_a 18.0498167
_cell_length_b 9.02490835
_cell_length_c 7.318152
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_spac... |
SuperCellAction | 9f8099dc-88d7-4e4b-83fb-0d2b51f874f4 | mp-2236954 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_space_gro... | data_image0
_chemical_formula_structural Co6O6F6Co6O6F6Co6O6F6Co6O6F6Co6O6F6Co6O6F6Co6O6F6Co6O6F6
_chemical_formula_sum "Co48 O48 F48"
_cell_length_a 4.5388127
_cell_length_b 8.98167802
_cell_length_c 36.03674415999999
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.4... |
SuperCellAction | 5bf7cd8c-7526-4ff6-8754-f3fc47fa9296 | mp-1032565 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_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 Mg6ZnBiO8Mg6ZnBiO8Mg6ZnBiO8Mg6ZnBiO8
_chemical_formula_sum "Mg24 Zn4 Bi4 O32"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 18.06944884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | eb58637c-fd22-4eac-9df5-8dce146aaba4 | mp-1079659 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Ta2B4Mo4Ta2B4Mo4Ta2B4Mo4
_chemical_formula_sum "Ta6 B12 Mo12"
_cell_length_a 18.379599
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | d73b3c01-c506-42e6-a1a8-d90a63cf0d2f | mp-753901 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Er4Cu2O8
_chemical_formula_sum "Er4 Cu2 O8"
_cell_length_a 6.48362809
_cell_length_b 6.483628090000001
_cell_length_c 5.467002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.09180630999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Er4Cu2O8Er4Cu2O8Er4Cu2O8
_chemical_formula_sum "Er12 Cu6 O24"
_cell_length_a 19.45088427
_cell_length_b 6.483628090000001
_cell_length_c 5.467002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.09180630999998
_sp... |
SuperCellAction | 7e3c387c-c871-4fec-af9c-beb135dd8c97 | mp-863373 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Li12Co12P12O48
_chemical_formula_sum "Li12 Co12 P12 O48"
_cell_length_a 7.521903
_cell_length_b 8.49533
_cell_length_c 16.88228373
_cell_angle_alpha 60.10124674000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Li12Co12P12O48Li12Co12P12O48Li12Co12P12O48Li12Co12P12O48Li12Co12P12O48Li12Co12P12O48Li12Co12P12O48Li12Co12P12O48
_chemical_formula_sum "Li96 Co96 P96 O384"
_cell_length_a 30.087612
_cell_length_b 8.49533
_cell_length_c 33.76456746
_cell_angle... |
SuperCellAction | 4730fd41-43ac-466a-8445-8d48dd1b1c65 | mp-31691 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 7.95490816
_cell_length_b 7.954908499999999
_cell_length_c 10.48992031
_cell_angle_alpha 88.26967111
_cell_angle_beta 91.73033275
_cell_angle_gamma 65.44205188999999
... | data_image0
_chemical_formula_structural Li4Cr4P8O28Li4Cr4P8O28Li4Cr4P8O28Li4Cr4P8O28Li4Cr4P8O28Li4Cr4P8O28Li4Cr4P8O28Li4Cr4P8O28
_chemical_formula_sum "Li32 Cr32 P64 O224"
_cell_length_a 15.90981632
_cell_length_b 7.954908499999999
_cell_length_c 41.95968124
_cell_angle_alpha 88... |
SuperCellAction | 5c1096b4-0562-4d9b-afea-c3e410e10d0e | mp-1233765 | Create a supercell with the size 3 by 1 by 2. | 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 MgH20Br4N4O4MgH20Br4N4O4MgH20Br4N4O4MgH20Br4N4O4MgH20Br4N4O4MgH20Br4N4O4
_chemical_formula_sum "Mg6 H120 Br24 N24 O24"
_cell_length_a 21.37399944
_cell_length_b 7.57468202
_cell_length_c 17.1435245
_cell_angle_alpha 85.52201156000001
_cell... |
SuperCellAction | 6c2a3875-ca0c-4870-a40c-1d2ca8befd90 | mp-1104062 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sr2Ga4Se8Sr2Ga4Se8
_chemical_formula_sum "Sr4 Ga8 Se16"
_cell_length_a 12.64803236
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_... |
SuperCellAction | b94f3922-41cf-4302-b835-52d8b2249173 | mp-1223078 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... | data_image0
_chemical_formula_structural La4PtO7La4PtO7La4PtO7La4PtO7La4PtO7La4PtO7
_chemical_formula_sum "La24 Pt6 O42"
_cell_length_a 8.09622
_cell_length_b 7.0303997
_cell_length_c 21.78109467
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma ... |
SuperCellAction | d7ddd5fe-fea8-4f4e-b563-37d6b3a10545 | mp-1079383 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce4In2Cu4Ce4In2Cu4Ce4In2Cu4
_chemical_formula_sum "Ce12 In6 Cu12"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 9.463617000000001
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | 69b5ef20-47dc-4e98-9df3-c3aa01f08907 | mp-753944 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Li8Mn6O10F6
_chemical_formula_sum "Li8 Mn6 O10 F6"
_cell_length_a 2.933047
_cell_length_b 15.76265863
_cell_length_c 6.733708979999999
_cell_angle_alpha 90.22832932
_cell_angle_beta 77.42159341
_cell_angle_gamma 90.00017755
_space_... | data_image0
_chemical_formula_structural Li8Mn6O10F6Li8Mn6O10F6
_chemical_formula_sum "Li16 Mn12 O20 F12"
_cell_length_a 2.933047
_cell_length_b 15.76265863
_cell_length_c 13.467417959999999
_cell_angle_alpha 90.22832932
_cell_angle_beta 77.42159341
_cell_angle_gamma 90.00... |
SuperCellAction | a96e93d4-7de1-4330-bd4d-e73672fc6597 | mp-557540 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Rb8Ag4Sb4S16
_chemical_formula_sum "Rb8 Ag4 Sb4 S16"
_cell_length_a 10.992473
_cell_length_b 8.381543
_cell_length_c 13.37265562
_cell_angle_alpha 52.668803270000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Rb8Ag4Sb4S16Rb8Ag4Sb4S16Rb8Ag4Sb4S16Rb8Ag4Sb4S16Rb8Ag4Sb4S16Rb8Ag4Sb4S16Rb8Ag4Sb4S16Rb8Ag4Sb4S16
_chemical_formula_sum "Rb64 Ag32 Sb32 S128"
_cell_length_a 21.984946
_cell_length_b 33.526172
_cell_length_c 13.37265562
_cell_angle_alpha 52.... |
SuperCellAction | de8e32a5-6a6d-4cf3-8b91-6150004ee605 | mp-1239127 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16Hf4Cr4Cu4S16Hf4Cr4Cu4S16Hf4Cr4Cu4S16Hf4Cr4Cu4S16Hf4Cr4Cu4S16Hf4Cr4Cu4S16Hf4Cr4Cu4S16
_chemical_formula_sum "Hf32 Cr32 Cu32 S128"
_cell_length_a 13.98621
_cell_length_b 15.214122
_cell_length_c 20.524424
_cell_angle_alpha 90.0
_... |
SuperCellAction | dba93ce6-4fc5-4321-a34e-968f6fed8057 | mp-2215902 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural MgCu2Rh4O8
_chemical_formula_sum "Mg1 Cu2 Rh4 O8"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_spac... | data_image0
_chemical_formula_structural MgCu2Rh4O8MgCu2Rh4O8MgCu2Rh4O8
_chemical_formula_sum "Mg3 Cu6 Rh12 O24"
_cell_length_a 19.11571623
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma... |
SuperCellAction | eaecbd6e-0bb7-44a8-b6b7-32d9d91b6d56 | mp-21286 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn4Co4Ge4Mn4Co4Ge4Mn4Co4Ge4Mn4Co4Ge4
_chemical_formula_sum "Mn16 Co16 Ge16"
_cell_length_a 3.82385196
_cell_length_b 11.8074152
_cell_length_c 13.802233399999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 6f9f053a-cbf5-4f7d-8bfa-e13e19b6c776 | mp-770748 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 Gd12Ta4O28Gd12Ta4O28Gd12Ta4O28Gd12Ta4O28
_chemical_formula_sum "Gd48 Ta16 O112"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 43.028104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | c65f4a5d-f3d6-44f0-bc74-49f75cc43ff6 | mp-1212973 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... | data_image0
_chemical_formula_structural Eu3Ti2O7Eu3Ti2O7Eu3Ti2O7Eu3Ti2O7
_chemical_formula_sum "Eu12 Ti8 O28"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 42.04253148
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamm... |
SuperCellAction | cb428df0-3999-4448-b54e-38435c36d68c | mp-1181553 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Dy10Tl6
_chemical_formula_sum "Dy10 Tl6"
_cell_length_a 8.95511876
_cell_length_b 8.95525361
_cell_length_c 6.647105889999999
_cell_angle_alpha 90.00000222
_cell_angle_beta 89.99999846
_cell_angle_gamma 120.00027852
_space_group_na... | data_image0
_chemical_formula_structural Dy10Tl6Dy10Tl6Dy10Tl6Dy10Tl6
_chemical_formula_sum "Dy40 Tl24"
_cell_length_a 8.95511876
_cell_length_b 17.91050722
_cell_length_c 13.294211779999998
_cell_angle_alpha 90.00000222
_cell_angle_beta 89.99999846
_cell_angle_gamma 120.0... |
SuperCellAction | 8965ca33-73ba-4f7f-8185-b9374507e63e | mp-1193684 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Fe6Si4O18
_chemical_formula_sum "Fe6 Si4 O18"
_cell_length_a 5.29336253
_cell_length_b 5.2933625300000005
_cell_length_c 14.47968119
_cell_angle_alpha 89.37314443
_cell_angle_beta 89.37314443
_cell_angle_gamma 119.26640457000002
_s... | data_image0
_chemical_formula_structural Fe6Si4O18Fe6Si4O18
_chemical_formula_sum "Fe12 Si8 O36"
_cell_length_a 10.58672506
_cell_length_b 5.2933625300000005
_cell_length_c 14.47968119
_cell_angle_alpha 89.37314443
_cell_angle_beta 89.37314443
_cell_angle_gamma 119.2664045... |
SuperCellAction | 7e668f74-3eee-4605-a5a6-c7810e6a3f2e | mp-23792 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18Na2Ca4Si6H2O18
_chemical_formula_sum "Na16 Ca32 Si48 H16 O144"
_cell_length_a 7.090316
_cell_length_b 14.23248068
_cell_length_c 32.34247432
_ce... |
SuperCellAction | 3f68a91d-a707-4b87-a12a-9242928522f5 | mp-613 | Create a supercell with the size 2×3×1. | 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 Te4Pd6Te4Pd6Te4Pd6Te4Pd6Te4Pd6Te4Pd6
_chemical_formula_sum "Te24 Pd36"
_cell_length_a 7.79482028
_cell_length_b 20.018581110000003
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929... |
SuperCellAction | d4fdc644-5f92-4cce-8d2d-93578ea67e49 | mp-1194067 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2Na2Ni2H8S2O12F2Na2Ni2H8S2O12F2
_chemical_formula_sum "Na6 Ni6 H24 S6 O36 F6"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 21.909737999999997
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 04d6ec47-d8d8-4868-bad3-80dc741110ad | mp-1228692 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural BaCaZr8P12O48
_chemical_formula_sum "Ba1 Ca1 Zr8 P12 O48"
_cell_length_a 8.917607
_cell_length_b 9.36286206
_cell_length_c 12.9291506
_cell_angle_alpha 93.81950518
_cell_angle_beta 90.00062041
_cell_angle_gamma 90.00663963
_space_g... | data_image0
_chemical_formula_structural BaCaZr8P12O48BaCaZr8P12O48BaCaZr8P12O48BaCaZr8P12O48
_chemical_formula_sum "Ba4 Ca4 Zr32 P48 O192"
_cell_length_a 8.917607
_cell_length_b 18.72572412
_cell_length_c 25.8583012
_cell_angle_alpha 93.81950518
_cell_angle_beta 90.00062041
... |
SuperCellAction | b2321dbb-4863-4bc1-b732-c2a15185bdd1 | mp-2217543 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... | data_image0
_chemical_formula_structural MgCoP2O7MgCoP2O7
_chemical_formula_sum "Mg2 Co2 P4 O14"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 10.66594474
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.3778... |
SuperCellAction | 8d6017a8-3e76-42c5-9d20-096305434fc2 | mp-1204580 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Nd2H12S2N2O20
_chemical_formula_sum "Nd2 H12 S2 N2 O20"
_cell_length_a 6.15457797
_cell_length_b 6.97092337
_cell_length_c 8.92426997
_cell_angle_alpha 90.0
_cell_angle_beta 93.69777155
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nd2H12S2N2O20Nd2H12S2N2O20Nd2H12S2N2O20
_chemical_formula_sum "Nd6 H36 S6 N6 O60"
_cell_length_a 18.463733910000002
_cell_length_b 6.97092337
_cell_length_c 8.92426997
_cell_angle_alpha 90.0
_cell_angle_beta 93.69777155
_cell_angle_gam... |
SuperCellAction | 1dee4519-8b8a-445a-b097-5f22d35928f1 | mp-1041307 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Ho2Zn2W4O12
_chemical_formula_sum "Ho2 Zn2 W4 O12"
_cell_length_a 5.507471
_cell_length_b 5.837335
_cell_length_c 7.87867697
_cell_angle_alpha 87.8951239
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ho2Zn2W4O12Ho2Zn2W4O12Ho2Zn2W4O12Ho2Zn2W4O12Ho2Zn2W4O12Ho2Zn2W4O12
_chemical_formula_sum "Ho12 Zn12 W24 O72"
_cell_length_a 5.507471
_cell_length_b 11.67467
_cell_length_c 23.63603091
_cell_angle_alpha 87.8951239
_cell_angle_beta 90.0
... |
SuperCellAction | 664ed30c-5c46-4e1d-8452-4ca19bc5a805 | mp-758242 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... | data_image0
_chemical_formula_structural Li2P6W4O24Li2P6W4O24Li2P6W4O24
_chemical_formula_sum "Li6 P18 W12 O72"
_cell_length_a 8.87626289
_cell_length_b 26.62878867
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_ga... |
SuperCellAction | cba798f1-ed5e-4ad1-822b-feb6575c7145 | mp-1209592 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural P8O24P8O24P8O24P8O24P8O24P8O24
_chemical_formula_sum "P48 O144"
_cell_length_a 23.10338319
_cell_length_b 15.40225546
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_... |
SuperCellAction | e160916c-34c1-4494-b8c9-04b5412a610a | mp-600520 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16Sr2Cu2H8C8O16Sr2Cu2H8C8O16
_chemical_formula_sum "Sr6 Cu6 H24 C24 O48"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 22.211552640000004
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 8b0da6bf-6953-44ac-b750-1dbf3d0f51f8 | mp-768946 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li8Cr6Co2O16Li8Cr6Co2O16Li8Cr6Co2O16Li8Cr6Co2O16
_chemical_formula_sum "Li32 Cr24 Co8 O64"
_cell_length_a 20.3369002
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_... |
SuperCellAction | cfda9570-3bb7-4014-b197-bd1ad437af43 | mp-1233765 | Create a supercell with the size 1×3×1. | 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 MgH20Br4N4O4MgH20Br4N4O4MgH20Br4N4O4
_chemical_formula_sum "Mg3 H60 Br12 N12 O12"
_cell_length_a 7.12466648
_cell_length_b 22.72404606
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_an... |
SuperCellAction | e3580ba4-7bcc-434b-be9c-37b18e5958ae | mp-1638898 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Li4Fe2P2H2O10
_chemical_formula_sum "Li4 Fe2 P2 H2 O10"
_cell_length_a 5.43196326
_cell_length_b 5.52898179
_cell_length_c 7.60347552
_cell_angle_alpha 108.45345149000002
_cell_angle_beta 110.28523021999999
_cell_angle_gamma 93.8252... | data_image0
_chemical_formula_structural Li4Fe2P2H2O10Li4Fe2P2H2O10Li4Fe2P2H2O10Li4Fe2P2H2O10Li4Fe2P2H2O10Li4Fe2P2H2O10Li4Fe2P2H2O10Li4Fe2P2H2O10
_chemical_formula_sum "Li32 Fe16 P16 H16 O80"
_cell_length_a 10.86392652
_cell_length_b 11.05796358
_cell_length_c 15.20695104
_cell_angl... |
SuperCellAction | 52a723f0-65a9-4c89-840e-2b7942f1b0a0 | mp-1522800 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural CaEuHfWO6
_chemical_formula_sum "Ca1 Eu1 Hf1 W1 O6"
_cell_length_a 5.79275101
_cell_length_b 5.792751009999999
_cell_length_c 5.792751009999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural CaEuHfWO6CaEuHfWO6CaEuHfWO6CaEuHfWO6CaEuHfWO6CaEuHfWO6CaEuHfWO6CaEuHfWO6
_chemical_formula_sum "Ca8 Eu8 Hf8 W8 O48"
_cell_length_a 11.58550202
_cell_length_b 11.585502019999998
_cell_length_c 11.585502019999998
_cell_angle_alpha 59.9999999... |
SuperCellAction | a50d3c47-1992-4324-bb5b-7155cc267e80 | mp-696283 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... | data_image0
_chemical_formula_structural H8S8N12O2H8S8N12O2H8S8N12O2H8S8N12O2H8S8N12O2H8S8N12O2H8S8N12O2H8S8N12O2
_chemical_formula_sum "H64 S64 N96 O16"
_cell_length_a 19.23022636
_cell_length_b 9.61511318
_cell_length_c 28.39927248
_cell_angle_alpha 75.06927197
_cell_angle_beta... |
SuperCellAction | 21d45d11-3255-472d-a377-0080dedf3865 | mp-2898998 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Ca2Mn4O8
_chemical_formula_sum "Ca2 Mn4 O8"
_cell_length_a 6.76146264
_cell_length_b 6.76146264
_cell_length_c 10.40359285
_cell_angle_alpha 56.1154693
_cell_angle_beta 56.115469299999994
_cell_angle_gamma 24.612645530000012
_space... | data_image0
_chemical_formula_structural Ca2Mn4O8Ca2Mn4O8Ca2Mn4O8Ca2Mn4O8
_chemical_formula_sum "Ca8 Mn16 O32"
_cell_length_a 27.04585056
_cell_length_b 6.76146264
_cell_length_c 10.40359285
_cell_angle_alpha 56.1154693
_cell_angle_beta 56.115469299999994
_cell_angle_gamma ... |
SuperCellAction | 789c96ea-acfe-4a2c-8abf-757fbd653f0d | mp-1200470 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Ca6Co8Sn26
_chemical_formula_sum "Ca6 Co8 Sn26"
_cell_length_a 9.639199
_cell_length_b 9.639199
_cell_length_c 9.639199
_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 Ca6Co8Sn26Ca6Co8Sn26Ca6Co8Sn26Ca6Co8Sn26Ca6Co8Sn26Ca6Co8Sn26
_chemical_formula_sum "Ca36 Co48 Sn156"
_cell_length_a 28.917597
_cell_length_b 9.639199
_cell_length_c 19.278398
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 3f9ee639-57c1-42c9-bb45-ed06f0047c07 | mp-1208510 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Sr2YFe3O8
_chemical_formula_sum "Sr2 Y1 Fe3 O8"
_cell_length_a 3.90931
_cell_length_b 3.90931
_cell_length_c 11.948726
_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 Sr2YFe3O8Sr2YFe3O8Sr2YFe3O8Sr2YFe3O8Sr2YFe3O8Sr2YFe3O8Sr2YFe3O8Sr2YFe3O8
_chemical_formula_sum "Sr16 Y8 Fe24 O64"
_cell_length_a 15.63724
_cell_length_b 7.81862
_cell_length_c 11.948726
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | d12a3606-ade3-4e06-81eb-65ead611b303 | mp-1195087 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_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 Tl16Pb4Se12Tl16Pb4Se12Tl16Pb4Se12Tl16Pb4Se12Tl16Pb4Se12Tl16Pb4Se12Tl16Pb4Se12Tl16Pb4Se12
_chemical_formula_sum "Tl128 Pb32 Se96"
_cell_length_a 8.55506407
_cell_length_b 17.11012814
_cell_length_c 52.30729792
_cell_angle_alpha 90.0
_cell_a... |
SuperCellAction | ff0f34b7-6571-434d-93af-7bcd788f0f62 | mp-5861 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Tm8Fe56B4
_chemical_formula_sum "Tm8 Fe56 B4"
_cell_length_a 8.709902
_cell_length_b 8.709902
_cell_length_c 11.818414
_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 Tm8Fe56B4Tm8Fe56B4Tm8Fe56B4Tm8Fe56B4Tm8Fe56B4Tm8Fe56B4
_chemical_formula_sum "Tm48 Fe336 B24"
_cell_length_a 26.129706
_cell_length_b 17.419804
_cell_length_c 11.818414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | bc566d6a-602b-4ad0-afe5-6d7af5e9e9cc | mp-1199296 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Gd5P12Ru19
_chemical_formula_sum "Gd5 P12 Ru19"
_cell_length_a 12.47882132
_cell_length_b 12.47876775
_cell_length_c 3.97836817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99985794
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Gd5P12Ru19Gd5P12Ru19Gd5P12Ru19Gd5P12Ru19Gd5P12Ru19Gd5P12Ru19Gd5P12Ru19Gd5P12Ru19
_chemical_formula_sum "Gd40 P96 Ru152"
_cell_length_a 24.95764264
_cell_length_b 24.9575355
_cell_length_c 7.95673634
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | f1732419-3930-47e0-a2cd-e999bac327d9 | mp-1213886 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce8Tl8F40Ce8Tl8F40Ce8Tl8F40Ce8Tl8F40
_chemical_formula_sum "Ce32 Tl32 F160"
_cell_length_a 16.54726818
_cell_length_b 8.15768151
_cell_length_c 27.08123638
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.966803319... |
SuperCellAction | 7e270a65-ee3b-400b-b03c-526200abaee5 | mp-1104546 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B6Mo6Co2B6Mo6Co2B6Mo6Co2B6Mo6Co2B6Mo6Co2B6Mo6
_chemical_formula_sum "Co12 B36 Mo36"
_cell_length_a 3.15117013
_cell_length_b 8.99737228
_cell_length_c 32.21548932
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 1b0326ba-d7e7-4db8-97c2-52612f5393e3 | mp-1644899 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24Li6V4C8O24
_chemical_formula_sum "Li12 V8 C16 O48"
_cell_length_a 15.32074944
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_... |
SuperCellAction | 75ecf5ad-81bf-4b5b-a8d4-71d5555d8fba | mp-1247503 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 Mn4Cu2N4Mn4Cu2N4Mn4Cu2N4Mn4Cu2N4
_chemical_formula_sum "Mn16 Cu8 N16"
_cell_length_a 2.852414
_cell_length_b 11.402184
_cell_length_c 12.150266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 1ea7cd74-7623-439d-aeaa-cfe88d938d21 | mp-1033104 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Mg6AlZnO8
_chemical_formula_sum "Mg6 Al1 Zn1 O8"
_cell_length_a 8.5797983
_cell_length_b 4.30447278
_cell_length_c 4.30447278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mg6AlZnO8Mg6AlZnO8
_chemical_formula_sum "Mg12 Al2 Zn2 O16"
_cell_length_a 8.5797983
_cell_length_b 8.60894556
_cell_length_c 4.30447278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | d9e020c4-496f-4b53-a94f-e5d43512f576 | mp-1019708 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28Cs4Ba4Li4P8O28Cs4Ba4Li4P8O28Cs4Ba4Li4P8O28Cs4Ba4Li4P8O28Cs4Ba4Li4P8O28Cs4Ba4Li4P8O28Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs32 Ba32 Li32 P64 O224"
_cell_length_a 43.937548
_cell_length_b 14.361416
_cell_length_c 10.8813655899999... |
SuperCellAction | 7dcd4958-46ea-46dc-81f9-357cf3c3f4c2 | mp-780331 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.107436
_cell_length_b 11.530895760000002
_cell_length_c 6.081616399999999
_cell_angle_alpha 90.04130526
_cell_angle_beta 89.99877151
_cell_angle_gamma 89.99512489
... | data_image0
_chemical_formula_structural Li4Mn4P4O16Li4Mn4P4O16
_chemical_formula_sum "Li8 Mn8 P8 O32"
_cell_length_a 5.107436
_cell_length_b 11.530895760000002
_cell_length_c 12.163232799999998
_cell_angle_alpha 90.04130526
_cell_angle_beta 89.99877151
_cell_angle_gamma 8... |
SuperCellAction | 63a8f53b-4371-44ad-b968-763b00caaff9 | mp-540267 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14Cr2P4O14Cr2P4O14Cr2P4O14Cr2P4O14Cr2P4O14Cr2P4O14Cr2P4O14
_chemical_formula_sum "Cr16 P32 O112"
_cell_length_a 12.671752
_cell_length_b 6.415262979999999
_cell_length_c 27.62008348
_cell_angle_alpha 89.08847891
_cell_angle_beta ... |
SuperCellAction | 554f0c57-b3d3-477d-ac34-5a1ca44b51d1 | mp-1147737 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnP2S8Li4ZnP2S8Li4ZnP2S8Li4ZnP2S8
_chemical_formula_sum "Li16 Zn4 P8 S32"
_cell_length_a 11.56861
_cell_length_b 6.23957908
_cell_length_c 20.394778260000002
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gam... |
SuperCellAction | d048cc6f-bdff-41bd-814e-bc193ebff9c2 | mp-1193573 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... | data_image0
_chemical_formula_structural Eu2Ni18Ge8Eu2Ni18Ge8Eu2Ni18Ge8Eu2Ni18Ge8Eu2Ni18Ge8Eu2Ni18Ge8Eu2Ni18Ge8Eu2Ni18Ge8
_chemical_formula_sum "Eu16 Ni144 Ge64"
_cell_length_a 16.39464462
_cell_length_b 16.39464462
_cell_length_c 16.39464462
_cell_angle_alpha 121.67561897999998
... |
SuperCellAction | 7b73699b-8246-4c40-a2c7-522ee0396467 | mp-755181 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7V4O5F7V4O5F7V4O5F7
_chemical_formula_sum "V16 O20 F28"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 35.16114172
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.527648900000... |
SuperCellAction | 70818bbd-0e00-4d67-91eb-228affe0edea | mp-1103845 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Co2S2O10
_chemical_formula_sum "Co2 S2 O10"
_cell_length_a 5.24041662
_cell_length_b 5.24041662
_cell_length_c 7.340449699999999
_cell_angle_alpha 108.82113058999998
_cell_angle_beta 108.82113058999998
_cell_angle_gamma 97.5566005
... | data_image0
_chemical_formula_structural Co2S2O10Co2S2O10Co2S2O10Co2S2O10Co2S2O10Co2S2O10
_chemical_formula_sum "Co12 S12 O60"
_cell_length_a 15.72124986
_cell_length_b 10.48083324
_cell_length_c 7.340449699999999
_cell_angle_alpha 108.82113058999998
_cell_angle_beta 108.8211... |
SuperCellAction | b304bf72-a9ee-4fe8-8bbb-cd8cb9298eb2 | mp-1216936 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural U4TeSe7
_chemical_formula_sum "U4 Te1 Se7"
_cell_length_a 4.170615
_cell_length_b 7.613506
_cell_length_c 9.15650564
_cell_angle_alpha 89.56521396000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural U4TeSe7U4TeSe7U4TeSe7U4TeSe7U4TeSe7U4TeSe7
_chemical_formula_sum "U24 Te6 Se42"
_cell_length_a 8.34123
_cell_length_b 22.840518
_cell_length_c 9.15650564
_cell_angle_alpha 89.56521396000001
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 47fa9b23-a046-4c0e-bd02-8068b7b47d5a | mp-734561 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Rb6P6H8O24
_chemical_formula_sum "Rb6 P6 H8 O24"
_cell_length_a 8.708768
_cell_length_b 9.72170004
_cell_length_c 9.78200371
_cell_angle_alpha 119.44829971
_cell_angle_beta 111.72985164999999
_cell_angle_gamma 86.26054615
_space_gr... | data_image0
_chemical_formula_structural Rb6P6H8O24Rb6P6H8O24Rb6P6H8O24Rb6P6H8O24Rb6P6H8O24Rb6P6H8O24
_chemical_formula_sum "Rb36 P36 H48 O144"
_cell_length_a 17.417536
_cell_length_b 29.16510012
_cell_length_c 9.78200371
_cell_angle_alpha 119.44829971
_cell_angle_beta 111.72... |
SuperCellAction | b9c527f5-435a-4d83-86f5-8bd7df487928 | mp-1110620 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6Na2TlCoF6Na2TlCoF6Na2TlCoF6Na2TlCoF6Na2TlCoF6
_chemical_formula_sum "Na12 Tl6 Co6 F36"
_cell_length_a 6.195451
_cell_length_b 18.586349759999997
_cell_length_c 12.39090022
_cell_angle_alpha 60.00000378
_cell_angle_beta 60.0000... |
SuperCellAction | aec64223-2daa-4f43-b36b-a49c6495a158 | mp-695890 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Mg20Si6H8O36
_chemical_formula_sum "Mg20 Si6 H8 O36"
_cell_length_a 5.163712
_cell_length_b 8.828419
_cell_length_c 14.134205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mg20Si6H8O36Mg20Si6H8O36Mg20Si6H8O36Mg20Si6H8O36
_chemical_formula_sum "Mg80 Si24 H32 O144"
_cell_length_a 20.654848
_cell_length_b 8.828419
_cell_length_c 14.134205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | ae2e38d1-f850-48e8-9427-2ad0f28253ac | mp-2228948 | Create a supercell with the size 1 by 2 by 4. | 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 MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10MgSb2P2H2O10
_chemical_formula_sum "Mg8 Sb16 P16 H16 O80"
_cell_length_a 5.76325631
_cell_length_b 17.7070591
_cell_length_c 20.82745324
_cell_angle_alpha ... |
SuperCellAction | 03573ec1-e62d-431d-b9f3-d14f0fe579c8 | mp-1045731 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56Ca8Sb8As16Se8O56Ca8Sb8As16Se8O56Ca8Sb8As16Se8O56Ca8Sb8As16Se8O56Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca48 Sb48 As96 Se48 O336"
_cell_length_a 33.12695814
_cell_length_b 13.262266809999998
_cell_length_c 26.519974760000004
_... |
SuperCellAction | 1889162b-635d-4f2d-abde-f189d443be59 | mp-800838 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... | data_image0
_chemical_formula_structural Mn2Al2P4H30O30Mn2Al2P4H30O30Mn2Al2P4H30O30Mn2Al2P4H30O30Mn2Al2P4H30O30Mn2Al2P4H30O30
_chemical_formula_sum "Mn12 Al12 P24 H180 O180"
_cell_length_a 29.134422
_cell_length_b 20.38538094
_cell_length_c 7.01071954
_cell_angle_alpha 109.537889... |
SuperCellAction | 4c3c6f1f-8674-4238-870f-6fc8322dc365 | mp-556061 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Cs4Sb8F44
_chemical_formula_sum "Cs4 Sb8 F44"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cs4Sb8F44Cs4Sb8F44Cs4Sb8F44Cs4Sb8F44Cs4Sb8F44Cs4Sb8F44Cs4Sb8F44Cs4Sb8F44
_chemical_formula_sum "Cs32 Sb64 F352"
_cell_length_a 28.25432228
_cell_length_b 15.33994952
_cell_length_c 18.87852528
_cell_angle_alpha 65.52848727
_cell_angle_beta... |
SuperCellAction | 03c1272b-9a78-4f2d-8753-1e23c501df0f | mp-1042925 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Ca4V4As8O28
_chemical_formula_sum "Ca4 V4 As8 O28"
_cell_length_a 8.578659
_cell_length_b 8.136143
_cell_length_c 10.65287533
_cell_angle_alpha 60.72981673999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ca4V4As8O28Ca4V4As8O28Ca4V4As8O28Ca4V4As8O28
_chemical_formula_sum "Ca16 V16 As32 O112"
_cell_length_a 34.314636
_cell_length_b 8.136143
_cell_length_c 10.65287533
_cell_angle_alpha 60.72981673999999
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | 4bccfd03-ed87-4311-9e54-1e693a922ac9 | mp-1207874 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Y6Si7Ni16Y6Si7Ni16Y6Si7Ni16Y6Si7Ni16Y6Si7Ni16Y6Si7Ni16Y6Si7Ni16Y6Si7Ni16
_chemical_formula_sum "Y48 Si56 Ni128"
_cell_length_a 16.6110442
_cell_length_b 8.3055221
_cell_length_c 33.2220884
_cell_angle_alpha 59.99999999999999
_cell_angle_be... |
SuperCellAction | 3c3188ed-b3be-41fd-8e45-ac1e30ec6a98 | mp-17777 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Sr10As6O24F2
_chemical_formula_sum "Sr10 As6 O24 F2"
_cell_length_a 10.16641641
_cell_length_b 10.16641641
_cell_length_c 7.49607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000270000001
_space_group_name_H... | data_image0
_chemical_formula_structural Sr10As6O24F2Sr10As6O24F2
_chemical_formula_sum "Sr20 As12 O48 F4"
_cell_length_a 20.33283282
_cell_length_b 10.16641641
_cell_length_c 7.49607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000270000001
_space... |
SuperCellAction | cf03d030-a787-42d7-951f-a2a385561252 | mp-697253 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural SiH12C2N6F6
_chemical_formula_sum "Si1 H12 C2 N6 F6"
_cell_length_a 7.34302716
_cell_length_b 7.34302716
_cell_length_c 6.25315057
_cell_angle_alpha 69.1722045
_cell_angle_beta 69.1722045
_cell_angle_gamma 59.76569175
_space_group_... | data_image0
_chemical_formula_structural SiH12C2N6F6SiH12C2N6F6SiH12C2N6F6SiH12C2N6F6SiH12C2N6F6SiH12C2N6F6
_chemical_formula_sum "Si6 H72 C12 N36 F36"
_cell_length_a 14.68605432
_cell_length_b 22.02908148
_cell_length_c 6.25315057
_cell_angle_alpha 69.1722045
_cell_angle_beta ... |
SuperCellAction | 0a7cd597-97a8-4272-a297-60dd538c61e0 | mp-16491 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural SrAl9Co2
_chemical_formula_sum "Sr1 Al9 Co2"
_cell_length_a 7.84298531
_cell_length_b 7.84298407
_cell_length_c 3.89742083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000106999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural SrAl9Co2SrAl9Co2SrAl9Co2SrAl9Co2SrAl9Co2SrAl9Co2SrAl9Co2SrAl9Co2
_chemical_formula_sum "Sr8 Al72 Co16"
_cell_length_a 31.37194124
_cell_length_b 7.84298407
_cell_length_c 7.79484166
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | c3982065-4aeb-4192-9866-a83fc8318bff | mp-1194512 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural V4Cu6O18
_chemical_formula_sum "V4 Cu6 O18"
_cell_length_a 6.556707
_cell_length_b 7.60968
_cell_length_c 7.78715794
_cell_angle_alpha 86.45493427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural V4Cu6O18V4Cu6O18V4Cu6O18V4Cu6O18V4Cu6O18V4Cu6O18
_chemical_formula_sum "V24 Cu36 O108"
_cell_length_a 19.670121
_cell_length_b 15.21936
_cell_length_c 7.78715794
_cell_angle_alpha 86.45493427
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | d060dc72-8f56-4ba3-998a-0c4723761a3c | mp-1196678 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural In4Ag4P8H8O32
_chemical_formula_sum "In4 Ag4 P8 H8 O32"
_cell_length_a 6.71893036
_cell_length_b 6.77223216
_cell_length_c 14.998627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.62467366
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural In4Ag4P8H8O32In4Ag4P8H8O32In4Ag4P8H8O32
_chemical_formula_sum "In12 Ag12 P24 H24 O96"
_cell_length_a 20.156791079999998
_cell_length_b 6.77223216
_cell_length_c 14.998627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | e6cb718d-2134-4423-a559-bacb10dc4e28 | mp-23963 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural H4I4O12
_chemical_formula_sum "H4 I4 O12"
_cell_length_a 5.716437
_cell_length_b 5.890396
_cell_length_c 8.00416
_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 H4I4O12H4I4O12H4I4O12
_chemical_formula_sum "H12 I12 O36"
_cell_length_a 5.716437
_cell_length_b 5.890396
_cell_length_c 24.012480000000004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | 02028cf7-7fbd-4cf9-b989-5933499b3a65 | mp-1228061 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba4Cu2IBrO4Ba4Cu2IBrO4Ba4Cu2IBrO4Ba4Cu2IBrO4Ba4Cu2IBrO4Ba4Cu2IBrO4Ba4Cu2IBrO4Ba4Cu2IBrO4
_chemical_formula_sum "Ba32 Cu16 I8 Br8 O32"
_cell_length_a 17.550392
_cell_length_b 7.597728
_cell_length_c 20.804052879999997
_cell_angle_alpha 75.8... |
SuperCellAction | 88668fd7-f0ac-4c2f-9af1-a3c1c1d9a792 | mp-1342975 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Ca4Ni8O16
_chemical_formula_sum "Ca4 Ni8 O16"
_cell_length_a 4.95341487
_cell_length_b 5.823023299999999
_cell_length_c 10.85513397
_cell_angle_alpha 94.38458175999999
_cell_angle_beta 90.01604898
_cell_angle_gamma 89.99700022
_spa... | data_image0
_chemical_formula_structural Ca4Ni8O16Ca4Ni8O16Ca4Ni8O16Ca4Ni8O16Ca4Ni8O16Ca4Ni8O16
_chemical_formula_sum "Ca24 Ni48 O96"
_cell_length_a 9.90682974
_cell_length_b 17.4690699
_cell_length_c 10.85513397
_cell_angle_alpha 94.38458175999999
_cell_angle_beta 90.0160489... |
SuperCellAction | c233374e-55f7-4d7f-bd8e-79b69d5a50c4 | mp-1028276 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural KMg14Sn
_chemical_formula_sum "K1 Mg14 Sn1"
_cell_length_a 6.48083808
_cell_length_b 6.48083754
_cell_length_c 10.86105586
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000276
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14SnKMg14SnKMg14Sn
_chemical_formula_sum "K3 Mg42 Sn3"
_cell_length_a 6.48083808
_cell_length_b 6.48083754
_cell_length_c 32.58316758
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000276
_space_group_name_... |
SuperCellAction | c97a626c-f9df-4e66-b639-7155d8a6c9fe | mp-1238837 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B24H24B24H24B24H24B24H24B24H24B24H24B24H24B24H24
_chemical_formula_sum "B192 H192"
_cell_length_a 7.11935317
_cell_length_b 28.47741268
_cell_length_c 21.65768782
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_g... |
SuperCellAction | 115da558-746e-416c-bb3b-a9b83af038ae | mp-561248 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_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 Sm8Cu8Te8S8Sm8Cu8Te8S8Sm8Cu8Te8S8Sm8Cu8Te8S8Sm8Cu8Te8S8Sm8Cu8Te8S8Sm8Cu8Te8S8Sm8Cu8Te8S8
_chemical_formula_sum "Sm64 Cu64 Te64 S64"
_cell_length_a 15.134234
_cell_length_b 7.593951
_cell_length_c 50.811444
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | c80ce3f6-8ee1-41f1-814e-dc8bf5a35815 | mp-7492 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural La2B2O6
_chemical_formula_sum "La2 B2 O6"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2B2O6La2B2O6La2B2O6La2B2O6La2B2O6La2B2O6La2B2O6La2B2O6
_chemical_formula_sum "La16 B16 O48"
_cell_length_a 16.71769624
_cell_length_b 10.17730284
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_... |
SuperCellAction | 6ee9511b-e0d2-4d85-8ac9-4abb7f7bd4ec | mp-767328 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Li5Fe5Si7O24
_chemical_formula_sum "Li5 Fe5 Si7 O24"
_cell_length_a 7.864131
_cell_length_b 7.94624588
_cell_length_c 9.50522826
_cell_angle_alpha 89.03556867999998
_cell_angle_beta 89.68223595
_cell_angle_gamma 89.50975027000001
_... | data_image0
_chemical_formula_structural Li5Fe5Si7O24Li5Fe5Si7O24Li5Fe5Si7O24Li5Fe5Si7O24Li5Fe5Si7O24Li5Fe5Si7O24Li5Fe5Si7O24Li5Fe5Si7O24
_chemical_formula_sum "Li40 Fe40 Si56 O192"
_cell_length_a 7.864131
_cell_length_b 31.78498352
_cell_length_c 19.01045652
_cell_angle_alpha 89... |
SuperCellAction | 0317c763-2316-4295-99e5-47bcfa7fef40 | mp-1147737 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnP2S8Li4ZnP2S8Li4ZnP2S8Li4ZnP2S8
_chemical_formula_sum "Li16 Zn4 P8 S32"
_cell_length_a 23.13722
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gam... |
SuperCellAction | e9e1ae34-d26e-4261-8c4d-b0a5cb5f16bf | mp-1046667 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Mg2Co2P2O10
_chemical_formula_sum "Mg2 Co2 P2 O10"
_cell_length_a 5.289674
_cell_length_b 5.34162801
_cell_length_c 6.813073880000001
_cell_angle_alpha 104.21338557
_cell_angle_beta 103.98050196
_cell_angle_gamma 102.46780101999998
... | data_image0
_chemical_formula_structural Mg2Co2P2O10Mg2Co2P2O10Mg2Co2P2O10Mg2Co2P2O10Mg2Co2P2O10Mg2Co2P2O10Mg2Co2P2O10Mg2Co2P2O10
_chemical_formula_sum "Mg16 Co16 P16 O80"
_cell_length_a 10.579348
_cell_length_b 21.36651204
_cell_length_c 6.813073880000001
_cell_angle_alpha 104.2... |
SuperCellAction | e8b050d0-b6a2-4b2f-967e-5f251da0b010 | mp-1198574 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Mg4H32C12N8O24
_chemical_formula_sum "Mg4 H32 C12 N8 O24"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_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 Mg4H32C12N8O24Mg4H32C12N8O24Mg4H32C12N8O24Mg4H32C12N8O24Mg4H32C12N8O24Mg4H32C12N8O24Mg4H32C12N8O24Mg4H32C12N8O24
_chemical_formula_sum "Mg32 H256 C96 N64 O192"
_cell_length_a 31.45285656
_cell_length_b 27.47625572
_cell_length_c 7.37876697
_c... |
SuperCellAction | 536bb611-3bce-4187-ba90-b40200b5240c | mp-2646935 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ba4Gd2Ru2O12
_chemical_formula_sum "Ba4 Gd2 Ru2 O12"
_cell_length_a 6.01122416
_cell_length_b 6.001117
_cell_length_c 8.486485860000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.01897810999999
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba4Gd2Ru2O12Ba4Gd2Ru2O12Ba4Gd2Ru2O12Ba4Gd2Ru2O12Ba4Gd2Ru2O12Ba4Gd2Ru2O12
_chemical_formula_sum "Ba24 Gd12 Ru12 O72"
_cell_length_a 6.01122416
_cell_length_b 12.002234
_cell_length_c 25.459457580000002
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | 03867d80-485c-40f5-ac65-51c6c16e16a8 | mp-568136 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br18Rb6V6Br18
_chemical_formula_sum "Rb12 V12 Br36"
_cell_length_a 12.89200448
_cell_length_b 25.783908359999998
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.9... |
SuperCellAction | c1544992-809c-4251-acf9-6e51fcfee810 | mp-541140 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Tl12Fe8S16
_chemical_formula_sum "Tl12 Fe8 S16"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_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 Tl12Fe8S16Tl12Fe8S16Tl12Fe8S16Tl12Fe8S16Tl12Fe8S16Tl12Fe8S16Tl12Fe8S16Tl12Fe8S16
_chemical_formula_sum "Tl96 Fe64 S128"
_cell_length_a 29.929204
_cell_length_b 10.642815
_cell_length_c 22.618274
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 13d6afc1-138f-4981-a29b-7692f7477d15 | mp-1211422 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural K2Pt2Br6N2
_chemical_formula_sum "K2 Pt2 Br6 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2Pt2Br6N2K2Pt2Br6N2K2Pt2Br6N2K2Pt2Br6N2K2Pt2Br6N2K2Pt2Br6N2K2Pt2Br6N2K2Pt2Br6N2
_chemical_formula_sum "K16 Pt16 Br48 N16"
_cell_length_a 19.17677696
_cell_length_b 9.58838848
_cell_length_c 39.150196
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | 2adaf78c-81b1-420a-b4c1-bd1962c2e817 | mp-1046883 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Mg2Bi4O8
_chemical_formula_sum "Mg2 Bi4 O8"
_cell_length_a 6.83391127
_cell_length_b 6.83391127
_cell_length_c 6.83391127
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Mg2Bi4O8Mg2Bi4O8Mg2Bi4O8Mg2Bi4O8Mg2Bi4O8Mg2Bi4O8Mg2Bi4O8Mg2Bi4O8
_chemical_formula_sum "Mg16 Bi32 O64"
_cell_length_a 6.83391127
_cell_length_b 13.66782254
_cell_length_c 27.33564508
_cell_angle_alpha 59.999999999999986
_cell_angle_beta ... |
SuperCellAction | e0995ca4-0785-4f5a-a5d3-1ff3ce1da543 | mp-1197135 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural La2N6O26
_chemical_formula_sum "La2 N6 O26"
_cell_length_a 11.044924
_cell_length_b 6.615585
_cell_length_c 6.69261613
_cell_angle_alpha 82.91353791
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural La2N6O26La2N6O26La2N6O26La2N6O26La2N6O26La2N6O26La2N6O26La2N6O26
_chemical_formula_sum "La16 N48 O208"
_cell_length_a 11.044924
_cell_length_b 13.23117
_cell_length_c 26.77046452
_cell_angle_alpha 82.91353791
_cell_angle_beta 90.0
_cel... |
SuperCellAction | e076eebc-cbd8-446a-b526-9df966effa7d | mp-1222894 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural LaNd3Ga4O12
_chemical_formula_sum "La1 Nd3 Ga4 O12"
_cell_length_a 7.82341
_cell_length_b 5.485925
_cell_length_c 5.59864177
_cell_angle_alpha 89.93353099000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural LaNd3Ga4O12LaNd3Ga4O12LaNd3Ga4O12LaNd3Ga4O12LaNd3Ga4O12LaNd3Ga4O12LaNd3Ga4O12LaNd3Ga4O12
_chemical_formula_sum "La8 Nd24 Ga32 O96"
_cell_length_a 31.29364
_cell_length_b 5.485925
_cell_length_c 11.19728354
_cell_angle_alpha 89.933530990000... |
SuperCellAction | 7d45bcbe-cbe6-4fa8-8979-e1928209e095 | mp-756993 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14Li4Co2P4O14Li4Co2P4O14Li4Co2P4O14
_chemical_formula_sum "Li16 Co8 P16 O56"
_cell_length_a 10.07521804
_cell_length_b 7.68650501
_cell_length_c 15.371106080000002
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_ce... |
SuperCellAction | 6c8c3147-1560-4721-b6cd-1fe2cb2bead1 | mp-1032153 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Mg6CoCuO8
_chemical_formula_sum "Mg6 Co1 Cu1 O8"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_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 Mg6CoCuO8Mg6CoCuO8Mg6CoCuO8Mg6CoCuO8Mg6CoCuO8Mg6CoCuO8
_chemical_formula_sum "Mg36 Co6 Cu6 O48"
_cell_length_a 8.61077705
_cell_length_b 12.61580142
_cell_length_c 8.41053428
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 4b20541d-f944-457e-8403-5b71e55c81b1 | mp-1195727 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_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 K8Ca2U2Si8O28K8Ca2U2Si8O28K8Ca2U2Si8O28K8Ca2U2Si8O28K8Ca2U2Si8O28K8Ca2U2Si8O28K8Ca2U2Si8O28K8Ca2U2Si8O28
_chemical_formula_sum "K64 Ca16 U16 Si64 O224"
_cell_length_a 18.78257068
_cell_length_b 18.78257068
_cell_length_c 16.69261766
_cell_ang... |
SuperCellAction | 689f4876-1958-4db5-8503-b37def536e2a | mp-780778 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Li4Mn14P16O56
_chemical_formula_sum "Li4 Mn14 P16 O56"
_cell_length_a 6.67202827
_cell_length_b 6.67202827
_cell_length_c 24.49121
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.39535415999998
_space_group_name_H... | data_image0
_chemical_formula_structural Li4Mn14P16O56Li4Mn14P16O56Li4Mn14P16O56Li4Mn14P16O56Li4Mn14P16O56Li4Mn14P16O56Li4Mn14P16O56Li4Mn14P16O56
_chemical_formula_sum "Li32 Mn112 P128 O448"
_cell_length_a 13.34405654
_cell_length_b 26.68811308
_cell_length_c 24.49121
_cell_angle_al... |
SuperCellAction | 82d46e13-298f-4c35-b7e1-cabafeb31f2c | mp-1358572 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Cr12O24
_chemical_formula_sum "Cr12 O24"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group_nam... | data_image0
_chemical_formula_structural Cr12O24Cr12O24Cr12O24Cr12O24Cr12O24Cr12O24Cr12O24Cr12O24
_chemical_formula_sum "Cr96 O192"
_cell_length_a 23.7743872
_cell_length_b 5.94991424
_cell_length_c 35.34945434
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_... |
SuperCellAction | 61072d9d-f4a9-40c3-b65e-b2f7f073a4e5 | mp-9563 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Li12Sb6
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li12Sb6Li12Sb6Li12Sb6Li12Sb6Li12Sb6Li12Sb6Li12Sb6Li12Sb6
_chemical_formula_sum "Li96 Sb48"
_cell_length_a 15.90280998
_cell_length_b 15.902809979999999
_cell_length_c 13.136702
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | 5ae1010f-1032-4c09-9a30-56064e6059f8 | mp-1201107 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... | data_image0
_chemical_formula_structural Zn2B20H52O16Zn2B20H52O16Zn2B20H52O16Zn2B20H52O16
_chemical_formula_sum "Zn8 B80 H208 O64"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 73.91548136
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.225977100000... |
SuperCellAction | 76b260ca-686d-4499-97a8-4036f0154595 | mp-758878 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe8O3F13Li3Fe8O3F13Li3Fe8O3F13Li3Fe8O3F13Li3Fe8O3F13Li3Fe8O3F13Li3Fe8O3F13Li3Fe8O3F13
_chemical_formula_sum "Li24 Fe64 O24 F104"
_cell_length_a 6.31150868
_cell_length_b 12.62301736
_cell_length_c 41.80307904000001
_cell_angle_alpha 72.... |
SuperCellAction | 24601cd0-d106-44a4-a8d7-afeb89356743 | mp-767746 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... | data_image0
_chemical_formula_structural Li12Mn2Fe3O16Li12Mn2Fe3O16Li12Mn2Fe3O16Li12Mn2Fe3O16Li12Mn2Fe3O16Li12Mn2Fe3O16Li12Mn2Fe3O16Li12Mn2Fe3O16
_chemical_formula_sum "Li96 Mn16 Fe24 O128"
_cell_length_a 5.817165
_cell_length_b 11.71716466
_cell_length_c 38.941185479999994
_cell_an... |
SuperCellAction | eb553682-f84b-4c39-9202-679e8d592150 | mp-1200969 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_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 B12Pb12N4O40B12Pb12N4O40B12Pb12N4O40
_chemical_formula_sum "B36 Pb36 N12 O120"
_cell_length_a 24.02736771
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | e2eb816b-d51c-478e-b972-efd290721482 | mp-1197716 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Ba8Cu8Si16O48
_chemical_formula_sum "Ba8 Cu8 Si16 O48"
_cell_length_a 13.44587733
_cell_length_b 13.44587733
_cell_length_c 13.445877329999998
_cell_angle_alpha 135.94699827000002
_cell_angle_beta 135.94699827000002
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ba8Cu8Si16O48Ba8Cu8Si16O48Ba8Cu8Si16O48Ba8Cu8Si16O48
_chemical_formula_sum "Ba32 Cu32 Si64 O192"
_cell_length_a 13.44587733
_cell_length_b 26.89175466
_cell_length_c 26.891754659999997
_cell_angle_alpha 135.94699827000002
_cell_angle_beta ... |
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