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 | cab38174-769f-47ab-b40a-134018d62044 | mp-1227155 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Ca4Mg4Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Mg4Zn4Ca4Mg4Zn4Ca4Mg4Zn4
_chemical_formula_sum "Ca12 Mg12 Zn12"
_cell_length_a 5.84729168
_cell_length_b 17.541875039999997
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_spa... |
SuperCellAction | b46ea4f4-a3fe-4f75-b86b-4c4603f19e47 | mp-1190956 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural K4H4C4O12
_chemical_formula_sum "K4 H4 C4 O12"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_group_nam... | data_image0
_chemical_formula_structural K4H4C4O12K4H4C4O12K4H4C4O12K4H4C4O12
_chemical_formula_sum "K16 H16 C16 O48"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 44.19909764
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma ... |
SuperCellAction | 9b48f106-b439-4b63-a4e7-c04f3989e30a | mp-1227253 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24CaU3Ti8O24
_chemical_formula_sum "Ca6 U18 Ti48 O144"
_cell_length_a 22.51422
_cell_length_b 15.71564788
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.5300... |
SuperCellAction | dc0e3168-ee8c-4296-8a14-e9f14ce3776e | mp-1036209 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_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 Mg14TiMnO16Mg14TiMnO16
_chemical_formula_sum "Mg28 Ti2 Mn2 O32"
_cell_length_a 17.217492
_cell_length_b 8.608746
_cell_length_c 4.274209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 9802b316-74c4-4edc-9270-6797cf8c2eda | mp-1076382 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural La7SmFe8O24
_chemical_formula_sum "La7 Sm1 Fe8 O24"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_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 La7SmFe8O24La7SmFe8O24La7SmFe8O24La7SmFe8O24La7SmFe8O24La7SmFe8O24La7SmFe8O24La7SmFe8O24
_chemical_formula_sum "La56 Sm8 Fe64 O192"
_cell_length_a 7.902464
_cell_length_b 31.609856
_cell_length_c 15.804928
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | 91dbb35a-dc0b-4921-8bfd-4174b2e17c32 | mp-775903 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P8O28Li8Mn4P8O28
_chemical_formula_sum "Li16 Mn8 P16 O56"
_cell_length_a 14.23056406
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0... |
SuperCellAction | f8fcddc1-f088-44b9-9f92-8a2a626e5d06 | mp-754739 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca2Be6O8Ca2Be6O8Ca2Be6O8Ca2Be6O8Ca2Be6O8Ca2Be6O8Ca2Be6O8Ca2Be6O8
_chemical_formula_sum "Ca16 Be48 O64"
_cell_length_a 9.15312234
_cell_length_b 18.30624468
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | d143af40-563c-4072-8c7e-8aaa8acbb148 | mp-560553 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Ir4F24
_chemical_formula_sum "Ir4 F24"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ir4F24Ir4F24Ir4F24Ir4F24
_chemical_formula_sum "Ir16 F96"
_cell_length_a 9.85843668
_cell_length_b 17.00195302
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 617d69d1-f2bd-42f5-87ab-c6562a2ae91c | mp-1105157 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Rb2Nd2Mn2W2O12
_chemical_formula_sum "Rb2 Nd2 Mn2 W2 O12"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb2Nd2Mn2W2O12Rb2Nd2Mn2W2O12Rb2Nd2Mn2W2O12Rb2Nd2Mn2W2O12Rb2Nd2Mn2W2O12Rb2Nd2Mn2W2O12Rb2Nd2Mn2W2O12Rb2Nd2Mn2W2O12
_chemical_formula_sum "Rb16 Nd16 Mn16 W16 O96"
_cell_length_a 5.56756288
_cell_length_b 22.6965
_cell_length_c 19.24535012
_cell_... |
SuperCellAction | 9bb9e600-2bf8-4e3e-8f2e-f27622d450ce | mp-18973 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20Co4Se8O20
_chemical_formula_sum "Co32 Se64 O160"
_cell_length_a 12.0650159
_cell_length_b 13.709087280000002
_cell_length_c 20.6537641
_cell_angle_alpha 90.00041396
_cell_angle... |
SuperCellAction | 1c78079d-d51a-45b3-ace3-c8b3527702b2 | mp-1245851 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Ca28Cr4N24
_chemical_formula_sum "Ca28 Cr4 N24"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_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 Ca28Cr4N24Ca28Cr4N24Ca28Cr4N24Ca28Cr4N24Ca28Cr4N24Ca28Cr4N24
_chemical_formula_sum "Ca168 Cr24 N144"
_cell_length_a 33.112758
_cell_length_b 6.251168
_cell_length_c 25.957508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | fa63efa0-1cae-4873-9af3-d5c8e168554a | mp-1205514 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Ba2PuTaO6
_chemical_formula_sum "Ba2 Pu1 Ta1 O6"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Ba2PuTaO6Ba2PuTaO6Ba2PuTaO6Ba2PuTaO6Ba2PuTaO6Ba2PuTaO6Ba2PuTaO6Ba2PuTaO6
_chemical_formula_sum "Ba16 Pu8 Ta8 O48"
_cell_length_a 12.20384562
_cell_length_b 24.40769124
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_an... |
SuperCellAction | 6948b330-2cd1-4e8a-a0aa-5b4f9830f577 | mp-1073481 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... | data_image0
_chemical_formula_structural Mg4Si8Mg4Si8Mg4Si8Mg4Si8Mg4Si8Mg4Si8
_chemical_formula_sum "Mg24 Si48"
_cell_length_a 15.68589291
_cell_length_b 5.22863097
_cell_length_c 24.49364622
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_g... |
SuperCellAction | c7d19789-db22-42f0-98f0-42ecfc7c7c09 | mp-1192994 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Ce6Al2V2S14
_chemical_formula_sum "Ce6 Al2 V2 S14"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce6Al2V2S14Ce6Al2V2S14
_chemical_formula_sum "Ce12 Al4 V4 S28"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 11.997448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_... |
SuperCellAction | dd56345a-15f7-4fa6-baad-314076bd2b1a | mp-28507 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S44La16Nb14S44La16Nb14S44La16Nb14S44
_chemical_formula_sum "La64 Nb56 S176"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 23.375298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.687... |
SuperCellAction | a24179bc-663c-4b82-8596-2c4ae30f6fb2 | mp-1204890 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... | data_image0
_chemical_formula_structural Zr4N8O36Zr4N8O36Zr4N8O36Zr4N8O36Zr4N8O36Zr4N8O36Zr4N8O36Zr4N8O36
_chemical_formula_sum "Zr32 N64 O288"
_cell_length_a 16.4387385
_cell_length_b 9.38387715
_cell_length_c 41.50856344
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14... |
SuperCellAction | f074ca25-6d2b-4fec-aefc-138e87837fb1 | mp-1203353 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Sr20Pb16
_chemical_formula_sum "Sr20 Pb16"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_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 Sr20Pb16Sr20Pb16
_chemical_formula_sum "Sr40 Pb32"
_cell_length_a 8.615907
_cell_length_b 18.05286
_cell_length_c 17.707516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
SuperCellAction | eb9397f1-1a0c-43d6-ba31-bc9f335818a9 | mp-1204185 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural Ag12Te8W6O40Ag12Te8W6O40Ag12Te8W6O40Ag12Te8W6O40Ag12Te8W6O40Ag12Te8W6O40Ag12Te8W6O40Ag12Te8W6O40
_chemical_formula_sum "Ag96 Te64 W48 O320"
_cell_length_a 31.0482507
_cell_length_b 15.52412535
_cell_length_c 38.84962508
_cell_angle_alpha 8... |
SuperCellAction | e0307145-f80c-4d97-9c1c-85db090ebaa0 | mp-1235162 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Ba2LiMn2O6
_chemical_formula_sum "Ba2 Li1 Mn2 O6"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.96833983000002
_... | data_image0
_chemical_formula_structural Ba2LiMn2O6Ba2LiMn2O6Ba2LiMn2O6Ba2LiMn2O6
_chemical_formula_sum "Ba8 Li4 Mn8 O24"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 21.03236972
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angl... |
SuperCellAction | c9e89fff-8ebf-416b-98d2-46980e34a62e | mp-1197546 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_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 Ca4Cu4As4O20Ca4Cu4As4O20Ca4Cu4As4O20Ca4Cu4As4O20Ca4Cu4As4O20Ca4Cu4As4O20Ca4Cu4As4O20Ca4Cu4As4O20
_chemical_formula_sum "Ca32 Cu32 As32 O160"
_cell_length_a 11.386836
_cell_length_b 7.548846
_cell_length_c 38.746156
_cell_angle_alpha 90.0
_... |
SuperCellAction | 0c809cdd-d712-4f27-882c-6e1767fafe9f | mp-886625 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... | data_image0
_chemical_formula_structural Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10Li5Ni5O10
_chemical_formula_sum "Li40 Ni40 O80"
_cell_length_a 5.044044
_cell_length_b 20.2489228
_cell_length_c 15.10139678
_cell_angle_alpha 107.22642697
_cell_angle_beta ... |
SuperCellAction | b3a6feff-4b0b-4d0b-83a3-e9ba3cd67489 | mp-672679 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y16In4Ir4Y16In4Ir4Y16In4Ir4Y16In4Ir4Y16In4Ir4Y16In4Ir4Y16In4Ir4Y16In4Ir4
_chemical_formula_sum "Y128 In32 Ir32"
_cell_length_a 19.37267484
_cell_length_b 19.3727107
_cell_length_c 19.37271078
_cell_angle_alpha 59.999905070000004
_cell_angl... |
SuperCellAction | e43e87c2-c7d8-4868-a3dc-1d08e4da339e | mp-1209251 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural RbAlSe2O8
_chemical_formula_sum "Rb1 Al1 Se2 O8"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural RbAlSe2O8RbAlSe2O8RbAlSe2O8RbAlSe2O8RbAlSe2O8RbAlSe2O8
_chemical_formula_sum "Rb6 Al6 Se12 O48"
_cell_length_a 10.18701098
_cell_length_b 5.09350549
_cell_length_c 26.743305
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | f4fb64a5-b55e-48da-87e7-2a4ef91a7463 | mp-14794 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural K12Co2S8
_chemical_formula_sum "K12 Co2 S8"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K12Co2S8K12Co2S8K12Co2S8K12Co2S8K12Co2S8K12Co2S8
_chemical_formula_sum "K72 Co12 S48"
_cell_length_a 9.80833811
_cell_length_b 19.61667622
_cell_length_c 23.151992999999997
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 9ef2a59e-dff5-4b90-85e6-e9913b9e9fd8 | mp-1245942 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Mn4Pb2N4
_chemical_formula_sum "Mn4 Pb2 N4"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_group_n... | data_image0
_chemical_formula_structural Mn4Pb2N4Mn4Pb2N4Mn4Pb2N4Mn4Pb2N4Mn4Pb2N4Mn4Pb2N4Mn4Pb2N4Mn4Pb2N4
_chemical_formula_sum "Mn32 Pb16 N32"
_cell_length_a 24.7350342
_cell_length_b 12.38703634
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.090... |
SuperCellAction | b58c7026-38ce-4a2d-934b-56bae24cd3fc | mp-1213955 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Cd4N4O20Cd4N4O20Cd4N4O20Cd4N4O20
_chemical_formula_sum "Cd16 N16 O80"
_cell_length_a 3.794464
_cell_length_b 30.406908
_cell_length_c 14.405706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | e31f4e7a-91d4-45ba-a637-eca005a3629f | mp-29778 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd8Ge14Nd8Ge14Nd8Ge14Nd8Ge14
_chemical_formula_sum "Nd32 Ge56"
_cell_length_a 6.03140039
_cell_length_b 15.20639618
_cell_length_c 24.12749988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space... |
SuperCellAction | c370f87d-16e8-4753-a9be-51b025bda44e | mp-16811 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Ho8Mo4O24
_chemical_formula_sum "Ho8 Mo4 O24"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095
_space... | data_image0
_chemical_formula_structural Ho8Mo4O24Ho8Mo4O24Ho8Mo4O24Ho8Mo4O24Ho8Mo4O24Ho8Mo4O24
_chemical_formula_sum "Ho48 Mo24 O144"
_cell_length_a 29.462453489999998
_cell_length_b 9.82081783
_cell_length_c 10.63223066
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 7... |
SuperCellAction | 283b69e6-57df-43b1-969d-40bccd80dbc2 | mp-1373426 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Ca4Ta2V2O12
_chemical_formula_sum "Ca4 Ta2 V2 O12"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca4Ta2V2O12Ca4Ta2V2O12Ca4Ta2V2O12Ca4Ta2V2O12
_chemical_formula_sum "Ca16 Ta8 V8 O48"
_cell_length_a 31.01176
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | d19ac9fa-61cd-4d4d-a02b-cb33511ff10a | mp-777558 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li32Ti3Cr13O48Li32Ti3Cr13O48
_chemical_formula_sum "Li64 Ti6 Cr26 O96"
_cell_length_a 5.054473
_cell_length_b 17.48671622
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.580... |
SuperCellAction | 6b6fe739-bf79-4683-8589-c7218aca0ae6 | mp-556173 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn2 As4 C12 S24 N24 O12 F24"
_cell_length_a 12.13840467
_cell_length_b 24.276809339999996
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | c9fa3cb4-c632-4d60-9eac-3de6823cb764 | mp-28263 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4H12O8K4H12O8K4H12O8K4H12O8
_chemical_formula_sum "K16 H48 O32"
_cell_length_a 22.76736028
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | cb3f094f-58e2-42a5-a3c6-82f659d25109 | mp-1217519 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16
_chemical_formula_sum "Th16 V32 Pb16 O128"
_cell_length_a 6.80264855
_cell_length_b 28.03113824
_cell_length_c 14.62871042
_cell_angle_alpha 88.923285... |
SuperCellAction | a6b08271-a8bc-4d56-8824-6ba9a675a1a1 | mp-1106213 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12Nd4Mg2Ir2O12Nd4Mg2Ir2O12Nd4Mg2Ir2O12Nd4Mg2Ir2O12Nd4Mg2Ir2O12Nd4Mg2Ir2O12Nd4Mg2Ir2O12
_chemical_formula_sum "Nd32 Mg16 Ir16 O96"
_cell_length_a 11.461052
_cell_length_b 11.044932
_cell_length_c 19.25415206
_cell_angle_alpha 54.8... |
SuperCellAction | 45369b05-1c60-4384-a521-cf55d0ddb4c7 | mp-1247447 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... | data_image0
_chemical_formula_structural Mg2Sc3MnS8Mg2Sc3MnS8Mg2Sc3MnS8
_chemical_formula_sum "Mg6 Sc9 Mn3 S24"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 22.598022630000003
_cell_angle_alpha 59.84947479000001
_cell_angle_beta 59.87627726
_cell_angle_g... |
SuperCellAction | 14db747d-0087-498b-8835-d8517721671c | mp-1210947 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O16Lu2Ag2W4O16Lu2Ag2W4O16Lu2Ag2W4O16
_chemical_formula_sum "Lu8 Ag8 W16 O64"
_cell_length_a 7.30273406
_cell_length_b 29.210936239999995
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_a... |
SuperCellAction | ecbe2e34-2759-4e41-a69a-b9d90de2c5df | mp-1205853 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd4In2Au4Nd4In2Au4Nd4In2Au4Nd4In2Au4Nd4In2Au4Nd4In2Au4
_chemical_formula_sum "Nd24 In12 Au24"
_cell_length_a 8.04285031
_cell_length_b 16.08570062
_cell_length_c 11.76143724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | a3f36327-24a2-4b82-8db6-ee5d68e9bac0 | mp-1235023 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZn2Fe4O8LiZn2Fe4O8LiZn2Fe4O8LiZn2Fe4O8
_chemical_formula_sum "Li4 Zn8 Fe16 O32"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 23.66790192
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_ce... |
SuperCellAction | 6066e753-c33f-4155-a6b7-980d290ff167 | mp-1228731 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32Ba2Li3La3Mo8O32Ba2Li3La3Mo8O32Ba2Li3La3Mo8O32Ba2Li3La3Mo8O32Ba2Li3La3Mo8O32Ba2Li3La3Mo8O32Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba16 Li24 La24 Mo64 O256"
_cell_length_a 5.410768
_cell_length_b 14.25261304
_cell_length_c 78.034... |
SuperCellAction | 851506ad-a298-462b-81b5-9ba25a69da27 | mp-2241183 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural MgNb3SiO10MgNb3SiO10MgNb3SiO10
_chemical_formula_sum "Mg3 Nb9 Si3 O30"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 22.16983329
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma... |
SuperCellAction | 52ac0ea6-b46c-4cb9-9cad-483da9ec8cd6 | mp-1522797 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural BaTiNbGaO6BaTiNbGaO6BaTiNbGaO6BaTiNbGaO6BaTiNbGaO6BaTiNbGaO6
_chemical_formula_sum "Ba6 Ti6 Nb6 Ga6 O36"
_cell_length_a 11.43430168
_cell_length_b 17.15145252
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | 0b7c784d-82e1-40c8-8015-d957def522cb | mp-1245775 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Sr12Ta8N16
_chemical_formula_sum "Sr12 Ta8 N16"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_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 Sr12Ta8N16Sr12Ta8N16Sr12Ta8N16Sr12Ta8N16Sr12Ta8N16Sr12Ta8N16
_chemical_formula_sum "Sr72 Ta48 N96"
_cell_length_a 12.317688
_cell_length_b 32.398797
_cell_length_c 10.015613
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 67a2c7de-399d-481c-b51f-576553078ed2 | mp-2220668 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Sr2MgTi6N2O11
_chemical_formula_sum "Sr2 Mg1 Ti6 N2 O11"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.25787147
... | data_image0
_chemical_formula_structural Sr2MgTi6N2O11Sr2MgTi6N2O11Sr2MgTi6N2O11Sr2MgTi6N2O11Sr2MgTi6N2O11Sr2MgTi6N2O11Sr2MgTi6N2O11Sr2MgTi6N2O11
_chemical_formula_sum "Sr16 Mg8 Ti48 N16 O88"
_cell_length_a 3.80235431
_cell_length_b 31.995057840000005
_cell_length_c 21.39947428
_cel... |
SuperCellAction | afbfb21a-1ae0-4a33-9de5-c5e89269e5cb | mp-758878 | Create a supercell with the size 1X2X2. | 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 Li3Fe8O3F13Li3Fe8O3F13Li3Fe8O3F13Li3Fe8O3F13
_chemical_formula_sum "Li12 Fe32 O12 F52"
_cell_length_a 6.31150868
_cell_length_b 12.62301736
_cell_length_c 20.901539520000004
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_c... |
SuperCellAction | 72e6d1db-8f6c-4d88-a40b-2bfe08626421 | mp-1175561 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.36779529
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li72 Mn16 Co40 O128"
_cell_length_a 10.20297
_cell_length_b 23.49142
_cell_length_c 10.069959919999999
_cell_angle_alpha ... |
SuperCellAction | b37949e9-d314-4168-b892-a63c98f0c335 | mp-1746 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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_num... | data_image0
_chemical_formula_structural Mg4F8Mg4F8Mg4F8Mg4F8
_chemical_formula_sum "Mg16 F32"
_cell_length_a 20.049356
_cell_length_b 5.012339
_cell_length_c 5.012339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SuperCellAction | 7ba0070b-9170-49da-abd9-380ecbe23b28 | mp-1223525 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu4O16KLa7Cu4O16KLa7Cu4O16KLa7Cu4O16KLa7Cu4O16KLa7Cu4O16
_chemical_formula_sum "K6 La42 Cu24 O96"
_cell_length_a 13.65327428
_cell_length_b 27.30654856
_cell_length_c 40.959822839999994
_cell_angle_alpha 157.12581394
_cell_angle_beta ... |
SuperCellAction | 574c38b7-82da-42b6-98a5-f72e6b4a5e03 | mp-1110869 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2LiBiCl6K2LiBiCl6K2LiBiCl6K2LiBiCl6K2LiBiCl6K2LiBiCl6K2LiBiCl6K2LiBiCl6
_chemical_formula_sum "K16 Li8 Bi8 Cl48"
_cell_length_a 14.91966742
_cell_length_b 7.45983371
_cell_length_c 29.83933484
_cell_angle_alpha 59.99999999999999
_cell_ang... |
SuperCellAction | 24d34d22-8c74-430d-9edf-ef9967ad90b7 | mp-541646 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Cs6Ru4Cl18
_chemical_formula_sum "Cs6 Ru4 Cl18"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
_space_g... | data_image0
_chemical_formula_structural Cs6Ru4Cl18Cs6Ru4Cl18Cs6Ru4Cl18Cs6Ru4Cl18Cs6Ru4Cl18Cs6Ru4Cl18Cs6Ru4Cl18Cs6Ru4Cl18
_chemical_formula_sum "Cs48 Ru32 Cl144"
_cell_length_a 14.64807244
_cell_length_b 14.64805622
_cell_length_c 35.46840786
_cell_angle_alpha 89.99982571
_cell_a... |
SuperCellAction | 9ac9d732-6faa-4e9f-b148-d1c9767c4fa7 | mp-1227353 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 Ce4Ni2Sn4Pt2Ce4Ni2Sn4Pt2Ce4Ni2Sn4Pt2Ce4Ni2Sn4Pt2Ce4Ni2Sn4Pt2Ce4Ni2Sn4Pt2Ce4Ni2Sn4Pt2Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce32 Ni16 Sn32 Pt16"
_cell_length_a 9.154092
_cell_length_b 14.762924
_cell_length_c 15.832382
_cell_angle_alpha 90.0
_... |
SuperCellAction | 49904b9f-5420-4cbc-adfa-4d704155a8f0 | mp-26157 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P16O48Li4Sb4P16O48Li4Sb4P16O48Li4Sb4P16O48Li4Sb4P16O48Li4Sb4P16O48Li4Sb4P16O48Li4Sb4P16O48
_chemical_formula_sum "Li32 Sb32 P128 O384"
_cell_length_a 18.70452
_cell_length_b 20.712844
_cell_length_c 25.161706019999997
_cell_angle_alpha ... |
SuperCellAction | dd50b8a3-d18b-49ce-87a8-9aca9b429957 | mp-1520897 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6Sr2CrBiO6
_chemical_formula_sum "Sr16 Cr8 Bi8 O48"
_cell_length_a 5.78690587
_cell_length_b 23.14762348
_cell_length_c 11.57381174
_cell_angle_alpha 59.99999999999999
_cell_ang... |
SuperCellAction | b9380fd2-d28e-43e6-ab5e-2d235d872bca | mp-755481 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Ca2Cl4O12
_chemical_formula_sum "Ca2 Cl4 O12"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.75361514
... | data_image0
_chemical_formula_structural Ca2Cl4O12Ca2Cl4O12Ca2Cl4O12Ca2Cl4O12
_chemical_formula_sum "Ca8 Cl16 O48"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 30.75827756
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cel... |
SuperCellAction | 455fc267-fc8c-4361-b9b4-4277a93b95b2 | mp-781738 | Create a supercell with the size 2x1x3. | 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 Na12V4B8S2O32Na12V4B8S2O32Na12V4B8S2O32Na12V4B8S2O32Na12V4B8S2O32Na12V4B8S2O32
_chemical_formula_sum "Na72 V24 B48 S12 O192"
_cell_length_a 19.87087434
_cell_length_b 9.93543717
_cell_length_c 29.806311509999997
_cell_angle_alpha 59.999999... |
SuperCellAction | 24d43810-e047-4ff1-8181-1a2b4a745a78 | mp-2227841 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... | data_image0
_chemical_formula_structural Tm2MgV2O8Tm2MgV2O8Tm2MgV2O8Tm2MgV2O8Tm2MgV2O8Tm2MgV2O8
_chemical_formula_sum "Tm12 Mg6 V12 O48"
_cell_length_a 12.03379844
_cell_length_b 18.050696939999998
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.... |
SuperCellAction | 946c442b-8d2d-4926-80a2-46b299ff7941 | mp-1027815 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14CoKMg14CoKMg14Co
_chemical_formula_sum "K3 Mg42 Co3"
_cell_length_a 6.33349415
_cell_length_b 19.00048095
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name... |
SuperCellAction | 87b49ea9-4baa-404a-a256-81c44c77cd19 | mp-1021697 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Mg12Ti2V2
_chemical_formula_sum "Mg12 Ti2 V2"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_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 Mg12Ti2V2Mg12Ti2V2
_chemical_formula_sum "Mg24 Ti4 V4"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 21.742638
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SuperCellAction | fed07da0-37e8-4577-b8b9-8fc115905747 | mp-1202826 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... | data_image0
_chemical_formula_structural Gd8U4S20Gd8U4S20Gd8U4S20Gd8U4S20Gd8U4S20Gd8U4S20
_chemical_formula_sum "Gd48 U24 S120"
_cell_length_a 7.4439669
_cell_length_b 16.01740772
_cell_length_c 35.326232159999996
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.999959... |
SuperCellAction | 15bcca46-4a43-4366-88be-d136d1bbb0e5 | mp-1041071 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Mg4Co8P8O32
_chemical_formula_sum "Mg4 Co8 P8 O32"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.5818560400... | data_image0
_chemical_formula_structural Mg4Co8P8O32Mg4Co8P8O32Mg4Co8P8O32Mg4Co8P8O32Mg4Co8P8O32Mg4Co8P8O32
_chemical_formula_sum "Mg24 Co48 P48 O192"
_cell_length_a 26.395089029999998
_cell_length_b 17.59672602
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell... |
SuperCellAction | c162071e-e2ee-444a-b1b2-a1f5e1a8e462 | mp-1105286 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu9Pd6Eu9Pd6Eu9Pd6Eu9Pd6
_chemical_formula_sum "Eu36 Pd24"
_cell_length_a 15.64631884
_cell_length_b 15.64627912
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.560881... |
SuperCellAction | 13757150-c2e2-467a-b4bb-a0a32123616f | mp-557500 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6LiNiP2S6LiNiP2S6
_chemical_formula_sum "Li3 Ni3 P6 S18"
_cell_length_a 17.687517749999998
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.3... |
SuperCellAction | f843d0e9-32b4-4c9b-b223-f1901417be8b | mp-2230050 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... | data_image0
_chemical_formula_structural MgFe6O6F6MgFe6O6F6
_chemical_formula_sum "Mg2 Fe12 O12 F12"
_cell_length_a 10.59541864
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.3... |
SuperCellAction | 1f6de78b-0d2f-4955-921d-01a992fddf7c | mp-1034797 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg14O15RbNaMg14O15RbNaMg14O15RbNaMg14O15
_chemical_formula_sum "Rb4 Na4 Mg56 O60"
_cell_length_a 4.212568
_cell_length_b 16.753338
_cell_length_c 20.82123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | 3ffd6965-53fc-4f2a-a28f-0cd31f3e095b | mp-1026435 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14TiMoMg14TiMo
_chemical_formula_sum "Mg28 Ti2 Mo2"
_cell_length_a 6.29406518
_cell_length_b 12.58812936
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_nam... |
SuperCellAction | c0ba8adb-23af-4d92-8cd3-65cf877f183a | mp-1276479 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... | data_image0
_chemical_formula_structural Na2Ni10O12Na2Ni10O12Na2Ni10O12Na2Ni10O12Na2Ni10O12Na2Ni10O12Na2Ni10O12Na2Ni10O12
_chemical_formula_sum "Na16 Ni80 O96"
_cell_length_a 5.18668659
_cell_length_b 20.746988199999997
_cell_length_c 19.82628794
_cell_angle_alpha 94.55001394
_ce... |
SuperCellAction | 06045d38-bfa2-4edb-bb7e-36d3561cada8 | mp-28088 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Ca10Al4Bi12
_chemical_formula_sum "Ca10 Al4 Bi12"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ca10Al4Bi12Ca10Al4Bi12Ca10Al4Bi12Ca10Al4Bi12
_chemical_formula_sum "Ca40 Al16 Bi48"
_cell_length_a 9.175844
_cell_length_b 7.587673
_cell_length_c 47.160586
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | d9dc7dd8-ce4f-47f0-83a7-4ef8eb80c834 | mp-551214 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... | data_image0
_chemical_formula_structural Ce2Cr2S4O2Ce2Cr2S4O2Ce2Cr2S4O2Ce2Cr2S4O2Ce2Cr2S4O2Ce2Cr2S4O2
_chemical_formula_sum "Ce12 Cr12 S24 O12"
_cell_length_a 5.95918329
_cell_length_b 11.91836658
_cell_length_c 24.080659500000003
_cell_angle_alpha 89.79610506000002
_cell_angle_b... |
SuperCellAction | e82627ef-e900-423e-b20d-0090d08662ff | mp-1195405 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho4Mn4Cu16P12Ho4Mn4Cu16P12Ho4Mn4Cu16P12
_chemical_formula_sum "Ho12 Mn12 Cu48 P36"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 37.572969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 7368f07d-bc44-41d3-8197-66bd274641ed | mp-1226187 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs3Rb5Se4O16Cs3Rb5Se4O16Cs3Rb5Se4O16Cs3Rb5Se4O16
_chemical_formula_sum "Cs12 Rb20 Se16 O64"
_cell_length_a 12.845624
_cell_length_b 16.74362084
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 4db0188b-fd82-46a9-b181-9787bce77744 | mp-1173945 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... | data_image0
_chemical_formula_structural Li6Mn4O10Li6Mn4O10Li6Mn4O10Li6Mn4O10Li6Mn4O10Li6Mn4O10Li6Mn4O10Li6Mn4O10
_chemical_formula_sum "Li48 Mn32 O80"
_cell_length_a 11.54709536
_cell_length_b 9.87527634
_cell_length_c 13.488450200000003
_cell_angle_alpha 103.09512629
_cell_angl... |
SuperCellAction | 97db4b89-8e7f-410b-85a6-1316b2f9764c | mp-1095566 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co8B2La2Co8B2La2Co8B2La2Co8B2La2Co8B2La2Co8B2
_chemical_formula_sum "La12 Co48 B12"
_cell_length_a 5.12253573
_cell_length_b 15.367607190000001
_cell_length_c 13.667774
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 097101c7-70fb-4014-a2f0-2f1a4db4b4cf | mp-1208738 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb12Ni6PbTb12Ni6PbTb12Ni6PbTb12Ni6PbTb12Ni6PbTb12Ni6Pb
_chemical_formula_sum "Tb72 Ni36 Pb6"
_cell_length_a 16.83438068
_cell_length_b 25.25157102
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_... |
SuperCellAction | 7f630b14-1c4d-44f1-9a9b-00ebaec4a343 | mp-760194 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Li8V8F48
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8V8F48Li8V8F48
_chemical_formula_sum "Li16 V16 F96"
_cell_length_a 9.38823
_cell_length_b 18.42327
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SuperCellAction | 63943295-9d27-4a24-b49b-02e6b02cbd81 | mp-776000 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Ti3Mn2SbP6O24
_chemical_formula_sum "Ti3 Mn2 Sb1 P6 O24"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.1440039... | data_image0
_chemical_formula_structural Ti3Mn2SbP6O24Ti3Mn2SbP6O24Ti3Mn2SbP6O24Ti3Mn2SbP6O24
_chemical_formula_sum "Ti12 Mn8 Sb4 P24 O96"
_cell_length_a 17.5355736
_cell_length_b 8.7677868
_cell_length_c 17.53557374
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.143... |
SuperCellAction | 41a80ee9-cbb8-4e36-8af5-22777f430dc3 | mp-556656 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Mn12B28Cl4O52
_chemical_formula_sum "Mn12 B28 Cl4 O52"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_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 Mn12B28Cl4O52Mn12B28Cl4O52Mn12B28Cl4O52Mn12B28Cl4O52Mn12B28Cl4O52Mn12B28Cl4O52
_chemical_formula_sum "Mn72 B168 Cl24 O312"
_cell_length_a 8.77641
_cell_length_b 17.556684
_cell_length_c 37.293015000000004
_cell_angle_alpha 90.0
_cell_angle... |
SuperCellAction | 47580035-6128-4938-b926-2e9596b5452f | mp-673174 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe24N9Fe24N9Fe24N9
_chemical_formula_sum "Fe72 N27"
_cell_length_a 27.55112982
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597... |
SuperCellAction | 38d7f47c-02ed-4880-83ec-8018b9dd96b0 | mp-640383 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Ho20Ni4Sb8
_chemical_formula_sum "Ho20 Ni4 Sb8"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_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 Ho20Ni4Sb8Ho20Ni4Sb8Ho20Ni4Sb8Ho20Ni4Sb8
_chemical_formula_sum "Ho80 Ni16 Sb32"
_cell_length_a 7.90777468
_cell_length_b 34.76945156
_cell_length_c 12.08376576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | 1ea5b624-45bc-4612-a58d-959cf741ea15 | mp-1224597 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural K8Nb8As8O44
_chemical_formula_sum "K8 Nb8 As8 O44"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K8Nb8As8O44K8Nb8As8O44K8Nb8As8O44K8Nb8As8O44K8Nb8As8O44K8Nb8As8O44K8Nb8As8O44K8Nb8As8O44
_chemical_formula_sum "K64 Nb64 As64 O352"
_cell_length_a 10.52112835
_cell_length_b 40.06021728
_cell_length_c 20.73322496
_cell_angle_alpha 83.00976... |
SuperCellAction | 901dcbd3-62f6-448b-ad27-9f99deab9139 | mp-557081 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Ba14Cr14O42
_chemical_formula_sum "Ba14 Cr14 O42"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba14Cr14O42Ba14Cr14O42Ba14Cr14O42Ba14Cr14O42Ba14Cr14O42Ba14Cr14O42
_chemical_formula_sum "Ba84 Cr84 O252"
_cell_length_a 5.74069414
_cell_length_b 11.48138828
_cell_length_c 98.53837200000001
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 56354f2b-01a7-4b64-a963-d960ea1c401b | mp-1202797 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Ag4H24C6S6Br4N12
_chemical_formula_sum "Ag4 H24 C6 S6 Br4 N12"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ag4H24C6S6Br4N12Ag4H24C6S6Br4N12
_chemical_formula_sum "Ag8 H48 C12 S12 Br8 N24"
_cell_length_a 4.442491
_cell_length_b 16.814288
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0... |
SuperCellAction | 9372ca6f-d282-486e-acbd-61fbfa9745be | mp-4721 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Rb4Sb12Se20
_chemical_formula_sum "Rb4 Sb12 Se20"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb4Sb12Se20Rb4Sb12Se20Rb4Sb12Se20Rb4Sb12Se20
_chemical_formula_sum "Rb16 Sb48 Se80"
_cell_length_a 8.80451087
_cell_length_b 38.78202268
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79... |
SuperCellAction | 2f98d6fe-d3d5-493f-a7f8-d5964841a9c2 | mp-1369271 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12Ti2Zn4Sb2O12Ti2Zn4Sb2O12Ti2Zn4Sb2O12Ti2Zn4Sb2O12Ti2Zn4Sb2O12Ti2Zn4Sb2O12Ti2Zn4Sb2O12
_chemical_formula_sum "Ti16 Zn32 Sb16 O96"
_cell_length_a 31.44708
_cell_length_b 10.592878
_cell_length_c 5.34563952
_cell_angle_alpha 88.866... |
SuperCellAction | 5e90d837-ea6e-4f92-8714-9d2c2a8a8318 | mp-613677 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Gd4Mn4Ge4
_chemical_formula_sum "Gd4 Mn4 Ge4"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_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 Gd4Mn4Ge4Gd4Mn4Ge4Gd4Mn4Ge4Gd4Mn4Ge4
_chemical_formula_sum "Gd16 Mn16 Ge16"
_cell_length_a 3.883324
_cell_length_b 14.071516
_cell_length_c 16.124378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 0fac26f3-3b58-4650-8722-19c56f8f38ae | mp-755893 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Ca4Bi4O12
_chemical_formula_sum "Ca4 Bi4 O12"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca4Bi4O12Ca4Bi4O12Ca4Bi4O12Ca4Bi4O12Ca4Bi4O12Ca4Bi4O12Ca4Bi4O12Ca4Bi4O12
_chemical_formula_sum "Ca32 Bi32 O96"
_cell_length_a 11.51662108
_cell_length_b 12.05109046
_cell_length_c 16.66069404
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | d508805d-0bec-4d1d-bb6f-6a816b16f99c | mp-1041312 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaMn4O8BaMn4O8BaMn4O8BaMn4O8BaMn4O8BaMn4O8BaMn4O8BaMn4O8
_chemical_formula_sum "Ba8 Mn32 O64"
_cell_length_a 11.29168024
_cell_length_b 11.29168024
_cell_length_c 15.545776
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | dc4b42f8-8b66-4889-8cf2-57714c3c6e91 | mp-27353 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sb12Cl24F36Sb12Cl24F36
_chemical_formula_sum "Sb24 Cl48 F72"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 35.19830378
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 705908e3-4b2e-44c0-99f4-c66db4dfb0c3 | mp-1028643 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2
_chemical_formula_sum "Te48 Mo16 W16 S16"
_cell_length_a 6.91841142
_cell_length_b 6.91841142
_cell_length_c 74.52234834
_cell_angle_alpha 90.0
_cell_angle_be... |
SuperCellAction | 9e5a3477-4371-47cb-bd06-25512f9972b5 | mp-759873 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Sb16O22F4
_chemical_formula_sum "Sb16 O22 F4"
_cell_length_a 4.244161
_cell_length_b 10.515138
_cell_length_c 18.170208560000003
_cell_angle_alpha 88.98562154
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb16O22F4Sb16O22F4Sb16O22F4
_chemical_formula_sum "Sb48 O66 F12"
_cell_length_a 12.732483
_cell_length_b 10.515138
_cell_length_c 18.170208560000003
_cell_angle_alpha 88.98562154
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 36c5d645-6155-4762-8f83-11605a5934da | mp-734012 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural K8Lu4Si16O44
_chemical_formula_sum "K8 Lu4 Si16 O44"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Lu4Si16O44K8Lu4Si16O44K8Lu4Si16O44K8Lu4Si16O44
_chemical_formula_sum "K32 Lu16 Si64 O176"
_cell_length_a 34.500184
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | e052bd23-6bf4-4a29-a520-1373d36f3461 | mp-2217543 | Create a supercell with the size 4*2*1. | 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 MgCoP2O7MgCoP2O7MgCoP2O7MgCoP2O7MgCoP2O7MgCoP2O7MgCoP2O7MgCoP2O7
_chemical_formula_sum "Mg8 Co8 P16 O56"
_cell_length_a 18.21577276
_cell_length_b 10.638520639999998
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta ... |
SuperCellAction | 63e89a6c-931e-4df8-bc9f-64317f1eee2a | mp-733763 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Cr4Hg4H4O18
_chemical_formula_sum "Cr4 Hg4 H4 O18"
_cell_length_a 6.59140315
_cell_length_b 6.59140315
_cell_length_c 13.51529886
_cell_angle_alpha 72.78458591
_cell_angle_beta 72.78458591
_cell_angle_gamma 47.698904199999994
_spac... | data_image0
_chemical_formula_structural Cr4Hg4H4O18Cr4Hg4H4O18Cr4Hg4H4O18Cr4Hg4H4O18
_chemical_formula_sum "Cr16 Hg16 H16 O72"
_cell_length_a 13.1828063
_cell_length_b 13.1828063
_cell_length_c 13.51529886
_cell_angle_alpha 72.78458591
_cell_angle_beta 72.78458591
_cell_angl... |
SuperCellAction | a2cb1194-80fb-4573-963f-3daa8fc11cb3 | mp-754713 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Al8Cr4O20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400000... | data_image0
_chemical_formula_structural Al8Cr4O20Al8Cr4O20Al8Cr4O20Al8Cr4O20Al8Cr4O20Al8Cr4O20Al8Cr4O20Al8Cr4O20
_chemical_formula_sum "Al64 Cr32 O160"
_cell_length_a 10.11657552
_cell_length_b 7.185476969999999
_cell_length_c 40.9975294
_cell_angle_alpha 74.62419369000001
_cell... |
SuperCellAction | 2a5ac6b0-be4b-4105-b4c5-dec6dfb2a62a | mp-1102140 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 Nd4Si4Ir4Nd4Si4Ir4Nd4Si4Ir4Nd4Si4Ir4Nd4Si4Ir4Nd4Si4Ir4
_chemical_formula_sum "Nd24 Si24 Ir24"
_cell_length_a 19.01000082
_cell_length_b 6.33666694
_cell_length_c 12.67333388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 07b2a87b-0075-47d0-9ef5-d4e9744c69be | mp-667336 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr12Te64Cs16Zr12Te64Cs16Zr12Te64Cs16Zr12Te64Cs16Zr12Te64Cs16Zr12Te64
_chemical_formula_sum "Cs96 Zr72 Te384"
_cell_length_a 19.784849
_cell_length_b 36.651624
_cell_length_c 35.95208952
_cell_angle_alpha 60.070154949999996
_cell_angle_... |
SuperCellAction | 682cc963-f40d-4f77-a35f-30630b44a7c8 | mp-685281 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6
_chemical_formula_sum "Ti6 Zn6 H72 O36 F36"
_cell_length_a 19.56661476
_cell_length_b 13.04440984
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle... |
SuperCellAction | f733d3c5-f28f-4898-a838-d32b66198049 | mp-558102 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O10K2Li2Si4O10K2Li2Si4O10K2Li2Si4O10
_chemical_formula_sum "K8 Li8 Si16 O40"
_cell_length_a 4.874509
_cell_length_b 24.3388
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | eb14c9fd-9277-4a2f-8aa0-8a80ac0f3604 | mp-1204112 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12
_chemical_formula_sum "Sn6 H24 S36 N36 Cl36"
_cell_length_a 39.870522
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cel... |
SuperCellAction | 1f5f01c3-d6a0-46a8-b21a-eb470af159b9 | mp-1516711 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_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 Sr8Sm4Nb4O24Sr8Sm4Nb4O24Sr8Sm4Nb4O24Sr8Sm4Nb4O24
_chemical_formula_sum "Sr32 Sm16 Nb16 O96"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 33.87774628
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 6e63ec1a-3cdd-4ff2-8439-283e0d2b9c2d | mp-1224199 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... | data_image0
_chemical_formula_structural Ho12Co9Ho12Co9
_chemical_formula_sum "Ho24 Co18"
_cell_length_a 4.04348636
_cell_length_b 22.27188868
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_g... |
SuperCellAction | 1c7105a9-f93e-40de-87d4-5b06e4f03f5a | mp-1173638 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O20Sr10CuRu4O20Sr10CuRu4O20Sr10CuRu4O20Sr10CuRu4O20Sr10CuRu4O20Sr10CuRu4O20Sr10CuRu4O20
_chemical_formula_sum "Sr80 Cu8 Ru32 O160"
_cell_length_a 35.54669848
_cell_length_b 8.886674619999999
_cell_length_c 17.77334924
_cell_angle_alp... |
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