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 | 23ae40ad-7828-4c74-b0b6-1a7eba8261bd | mp-768848 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Tb4W6O24
_chemical_formula_sum "Tb4 W6 O24"
_cell_length_a 6.9584645
_cell_length_b 6.9584645
_cell_length_c 11.448500800000001
_cell_angle_alpha 79.13326657
_cell_angle_beta 79.13326657
_cell_angle_gamma 111.97316103
_space_group_... | data_image0
_chemical_formula_structural Tb4W6O24Tb4W6O24
_chemical_formula_sum "Tb8 W12 O48"
_cell_length_a 6.9584645
_cell_length_b 13.916929
_cell_length_c 11.448500800000001
_cell_angle_alpha 79.13326657
_cell_angle_beta 79.13326657
_cell_angle_gamma 111.97316103
_spa... |
SuperCellAction | e708b5a0-5c07-4b79-b451-6892a3b11236 | mp-2239931 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural MgMo3Se4S2
_chemical_formula_sum "Mg1 Mo3 Se4 S2"
_cell_length_a 3.283263
_cell_length_b 3.28321277
_cell_length_c 36.17756637
_cell_angle_alpha 89.98550332
_cell_angle_beta 90.0
_cell_angle_gamma 120.00047585000002
_space_group_na... | data_image0
_chemical_formula_structural MgMo3Se4S2MgMo3Se4S2
_chemical_formula_sum "Mg2 Mo6 Se8 S4"
_cell_length_a 6.566526
_cell_length_b 3.28321277
_cell_length_c 36.17756637
_cell_angle_alpha 89.98550332
_cell_angle_beta 90.0
_cell_angle_gamma 120.00047585000002
_spac... |
SuperCellAction | d6bb1128-9bf0-43a4-9239-54a59c5c3850 | mp-1110608 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Rb2InAgF6
_chemical_formula_sum "Rb2 In1 Ag1 F6"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Rb2InAgF6Rb2InAgF6Rb2InAgF6
_chemical_formula_sum "Rb6 In3 Ag3 F18"
_cell_length_a 19.3189068
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
SuperCellAction | 81ee5c64-2060-44d2-b3b9-06dc339c7923 | mp-725609 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural C4N4O10
_chemical_formula_sum "C4 N4 O10"
_cell_length_a 4.01762
_cell_length_b 9.1395961
_cell_length_c 10.21360428
_cell_angle_alpha 88.98519127
_cell_angle_beta 89.72633846
_cell_angle_gamma 87.11571146000001
_space_group_name_H... | data_image0
_chemical_formula_structural C4N4O10C4N4O10
_chemical_formula_sum "C8 N8 O20"
_cell_length_a 4.01762
_cell_length_b 9.1395961
_cell_length_c 20.42720856
_cell_angle_alpha 88.98519127
_cell_angle_beta 89.72633846
_cell_angle_gamma 87.11571146000001
_space_group... |
SuperCellAction | 6783e498-5d4d-42e8-aa6d-b06fb3fc19d1 | mp-1246779 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12Ba10Hf4N12
_chemical_formula_sum "Ba60 Hf24 N72"
_cell_length_a 6.76065813
_cell_length_b 14.95186538
_cell_length_c 44.89243014
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.293583... |
SuperCellAction | 14db4a20-3929-4170-937e-8c1c9a6f85af | mp-560911 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Mn12B28Br4O52
_chemical_formula_sum "Mn12 B28 Br4 O52"
_cell_length_a 8.785226
_cell_length_b 8.805237
_cell_length_c 12.45452
_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 Mn12B28Br4O52Mn12B28Br4O52Mn12B28Br4O52Mn12B28Br4O52Mn12B28Br4O52Mn12B28Br4O52
_chemical_formula_sum "Mn72 B168 Br24 O312"
_cell_length_a 8.785226
_cell_length_b 26.415711
_cell_length_c 24.90904
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 304ba946-5dcd-47c1-9542-7843c49679e2 | mp-1227709 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Bi2P6Pb6O24
_chemical_formula_sum "Bi2 P6 Pb6 O24"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... | data_image0
_chemical_formula_structural Bi2P6Pb6O24Bi2P6Pb6O24Bi2P6Pb6O24
_chemical_formula_sum "Bi6 P18 Pb18 O72"
_cell_length_a 27.489895080000004
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999... |
SuperCellAction | 9df03336-7779-4761-b060-49216b57f7c7 | mp-650121 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li12Se6O24Li12Se6O24Li12Se6O24Li12Se6O24
_chemical_formula_sum "Li48 Se24 O96"
_cell_length_a 17.26869
_cell_length_b 18.14478994
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma ... |
SuperCellAction | da6b164e-2173-45c1-83fa-db4ba99e30a2 | mp-801544 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural V2P4H16N4O16
_chemical_formula_sum "V2 P4 H16 N4 O16"
_cell_length_a 5.811218
_cell_length_b 8.425524
_cell_length_c 8.425974
_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 V2P4H16N4O16V2P4H16N4O16
_chemical_formula_sum "V4 P8 H32 N8 O32"
_cell_length_a 5.811218
_cell_length_b 8.425524
_cell_length_c 16.851948
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | 031c099e-3ed1-4173-8e86-d144e71eb6b3 | mp-1194264 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Sc6Al16Ni7
_chemical_formula_sum "Sc6 Al16 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Al16Ni7Sc6Al16Ni7Sc6Al16Ni7Sc6Al16Ni7
_chemical_formula_sum "Sc24 Al64 Ni28"
_cell_length_a 17.07383146
_cell_length_b 8.53691573
_cell_length_c 17.07383146
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cel... |
SuperCellAction | f9816c31-6629-4bcd-bf00-cc7f5e74a353 | mp-1192051 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Nd5Ni19
_chemical_formula_sum "Nd5 Ni19"
_cell_length_a 4.97905961
_cell_length_b 4.97906
_cell_length_c 16.36139454
_cell_angle_alpha 81.24794759999999
_cell_angle_beta 81.24794681
_cell_angle_gamma 59.99999743
_space_group_name_H... | data_image0
_chemical_formula_structural Nd5Ni19Nd5Ni19
_chemical_formula_sum "Nd10 Ni38"
_cell_length_a 4.97905961
_cell_length_b 4.97906
_cell_length_c 32.72278908
_cell_angle_alpha 81.24794759999999
_cell_angle_beta 81.24794681
_cell_angle_gamma 59.99999743
_space_grou... |
SuperCellAction | 522f092b-9bc1-4728-bb16-5538028ce1a0 | mp-1212483 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28
_chemical_formula_sum "Hg96 P24 H24 N24 O168"
_cell_length_a 18.37330263
_cell_length_b 16.636404
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_... |
SuperCellAction | d615037e-c061-4177-b200-c01ee1ebaf38 | mp-1193413 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Sc2H6C6O12
_chemical_formula_sum "Sc2 H6 C6 O12"
_cell_length_a 7.24803859
_cell_length_b 7.24803859
_cell_length_c 7.24803788
_cell_angle_alpha 103.80513496000002
_cell_angle_beta 103.80513496000002
_cell_angle_gamma 103.8051398
_... | data_image0
_chemical_formula_structural Sc2H6C6O12Sc2H6C6O12Sc2H6C6O12Sc2H6C6O12Sc2H6C6O12Sc2H6C6O12Sc2H6C6O12Sc2H6C6O12
_chemical_formula_sum "Sc16 H48 C48 O96"
_cell_length_a 14.49607718
_cell_length_b 14.49607718
_cell_length_c 14.49607576
_cell_angle_alpha 103.80513496000002... |
SuperCellAction | fcc62803-21ac-43a8-844d-27d7a5497683 | mp-1288374 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 5.29613539
_cell_length_b 6.036295529999999
_cell_length_c 5.30003472
_cell_angle_alpha 89.99997619
_cell_angle_beta 110.55590711999999
_cell_angle_gamma 89.99976383
_space_g... | data_image0
_chemical_formula_structural Li2V6O8Li2V6O8Li2V6O8Li2V6O8Li2V6O8Li2V6O8
_chemical_formula_sum "Li12 V36 O48"
_cell_length_a 5.29613539
_cell_length_b 12.072591059999999
_cell_length_c 15.900104160000001
_cell_angle_alpha 89.99997619
_cell_angle_beta 110.5559071199... |
SuperCellAction | 37b03de2-7a97-4bfa-83e4-acb83a6133ef | mp-1188903 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Pt2Cl8O10
_chemical_formula_sum "Pt2 Cl8 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_nam... | data_image0
_chemical_formula_structural Pt2Cl8O10Pt2Cl8O10Pt2Cl8O10Pt2Cl8O10Pt2Cl8O10Pt2Cl8O10
_chemical_formula_sum "Pt12 Cl48 O60"
_cell_length_a 6.72995708
_cell_length_b 13.45991416
_cell_length_c 33.56773833
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_ce... |
SuperCellAction | e1d25ff1-2b05-4a5c-a33f-95502ae31af8 | mp-1078939 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Mn2N2F6
_chemical_formula_sum "Mn2 N2 F6"
_cell_length_a 3.93874
_cell_length_b 5.671741
_cell_length_c 5.717897
_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 Mn2N2F6Mn2N2F6Mn2N2F6Mn2N2F6Mn2N2F6Mn2N2F6Mn2N2F6Mn2N2F6
_chemical_formula_sum "Mn16 N16 F48"
_cell_length_a 3.93874
_cell_length_b 11.343482
_cell_length_c 22.871588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | fac0b22f-7d78-42d4-8ddc-dee72c90979e | mp-1220278 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Nd4Fe4Co12B3C
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_na... | data_image0
_chemical_formula_structural Nd4Fe4Co12B3CNd4Fe4Co12B3CNd4Fe4Co12B3CNd4Fe4Co12B3CNd4Fe4Co12B3CNd4Fe4Co12B3CNd4Fe4Co12B3CNd4Fe4Co12B3C
_chemical_formula_sum "Nd32 Fe32 Co96 B24 C8"
_cell_length_a 5.11753671
_cell_length_b 20.47014684
_cell_length_c 26.938742
_cell_angle_a... |
SuperCellAction | 9a22e5c6-13ea-4765-9177-fc9867fe2144 | mp-759506 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li4V2Cr2P8O28
_chemical_formula_sum "Li4 V2 Cr2 P8 O28"
_cell_length_a 9.54961884
_cell_length_b 9.54903466
_cell_length_c 7.01796071
_cell_angle_alpha 99.44046031
_cell_angle_beta 99.45246676999999
_cell_angle_gamma 118.72051267
_... | data_image0
_chemical_formula_structural Li4V2Cr2P8O28Li4V2Cr2P8O28Li4V2Cr2P8O28Li4V2Cr2P8O28
_chemical_formula_sum "Li16 V8 Cr8 P32 O112"
_cell_length_a 19.09923768
_cell_length_b 19.09806932
_cell_length_c 7.01796071
_cell_angle_alpha 99.44046031
_cell_angle_beta 99.4524667... |
SuperCellAction | ec05892e-5c2a-4a13-896f-0ced2eaba413 | mp-1305999 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8
_chemical_formula_sum "Li18 Ti6 Ni24 O48"
_cell_length_a 17.69342301
_cell_length_b 5.90359853
_cell_length_c 11.83900294
_cell_angle_alpha 119.91030386999999
_cell_angle_beta ... |
SuperCellAction | 389528c5-f144-4165-a544-2032c07b80bf | mp-27868 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural V2N2Cl8
_chemical_formula_sum "V2 N2 Cl8"
_cell_length_a 5.997518
_cell_length_b 7.67355423
_cell_length_c 8.21960348
_cell_angle_alpha 108.13733024
_cell_angle_beta 93.89048598
_cell_angle_gamma 112.8321924
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural V2N2Cl8V2N2Cl8V2N2Cl8V2N2Cl8V2N2Cl8V2N2Cl8V2N2Cl8V2N2Cl8
_chemical_formula_sum "V16 N16 Cl64"
_cell_length_a 23.990072
_cell_length_b 15.34710846
_cell_length_c 8.21960348
_cell_angle_alpha 108.13733024
_cell_angle_beta 93.89048598
_ce... |
SuperCellAction | b86e9199-b677-4a58-9dde-5424dc09b30e | mp-1224356 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural Ge5Te4SeGe5Te4SeGe5Te4SeGe5Te4Se
_chemical_formula_sum "Ge20 Te16 Se4"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 61.577693280000005
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_c... |
SuperCellAction | 67480dc7-c81d-461c-9144-fa4ecf747a9b | mp-756136 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Ca4Pb4I16
_chemical_formula_sum "Ca4 Pb4 I16"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca4Pb4I16Ca4Pb4I16Ca4Pb4I16Ca4Pb4I16
_chemical_formula_sum "Ca16 Pb16 I64"
_cell_length_a 7.828612
_cell_length_b 38.084308
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SuperCellAction | 7aebe32a-1286-4a3f-a741-f920711bdfd5 | mp-849219 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural V6O8F4
_chemical_formula_sum "V6 O8 F4"
_cell_length_a 10.46643444
_cell_length_b 10.466434439999999
_cell_length_c 3.065376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 143.4460713
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural V6O8F4V6O8F4V6O8F4
_chemical_formula_sum "V18 O24 F12"
_cell_length_a 10.46643444
_cell_length_b 31.399303319999998
_cell_length_c 3.065376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 143.44607130000003
_space_gr... |
SuperCellAction | 83407fbf-bf40-4929-bc83-2fcf7d786c32 | mp-7492 | Create a supercell with the size 1X4X2. | 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 4.17942406
_cell_length_b 20.35460568
_cell_length_c 12.628710639999998
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_... |
SuperCellAction | 1c718772-d5a8-4d35-9d64-1cc0bc80d3ec | mp-1233403 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Ba2MgNb6N2O14
_chemical_formula_sum "Ba2 Mg1 Nb6 N2 O14"
_cell_length_a 9.27368937
_cell_length_b 10.90484996
_cell_length_c 3.96856148
_cell_angle_alpha 79.41574678
_cell_angle_beta 90.01147866
_cell_angle_gamma 89.15679119999999
... | data_image0
_chemical_formula_structural Ba2MgNb6N2O14Ba2MgNb6N2O14Ba2MgNb6N2O14Ba2MgNb6N2O14
_chemical_formula_sum "Ba8 Mg4 Nb24 N8 O56"
_cell_length_a 37.09475748
_cell_length_b 10.90484996
_cell_length_c 3.96856148
_cell_angle_alpha 79.41574678
_cell_angle_beta 90.01147866... |
SuperCellAction | 75a6514d-9cfc-4559-bb78-a06df9957945 | mp-1223484 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural K2V6Pb8O24
_chemical_formula_sum "K2 V6 Pb8 O24"
_cell_length_a 10.34517358
_cell_length_b 10.34517358
_cell_length_c 7.540297
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999727999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K2V6Pb8O24K2V6Pb8O24K2V6Pb8O24
_chemical_formula_sum "K6 V18 Pb24 O72"
_cell_length_a 31.035520740000003
_cell_length_b 10.34517358
_cell_length_c 7.540297
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.999997279... |
SuperCellAction | c5f62851-70f7-49f8-b739-0c3b9593cd26 | mp-2452 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O10P4O10P4O10P4O10P4O10P4O10P4O10P4O10
_chemical_formula_sum "P32 O80"
_cell_length_a 4.83501677
_cell_length_b 9.67003068
_cell_length_c 34.24747184
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma ... |
SuperCellAction | 5ad68525-9dbe-4b37-89bc-6cf12516d551 | mp-29817 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Ga8P16I72
_chemical_formula_sum "Ga8 P16 I72"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_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 Ga8P16I72Ga8P16I72Ga8P16I72
_chemical_formula_sum "Ga24 P48 I216"
_cell_length_a 11.478636
_cell_length_b 56.663031000000004
_cell_length_c 21.713497
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 9b42aa83-672d-4224-8d90-e4cb3c7a24ce | mp-777466 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Li16Fe8F32
_chemical_formula_sum "Li16 Fe8 F32"
_cell_length_a 9.65245569
_cell_length_b 9.65245569
_cell_length_c 9.65245569
_cell_angle_alpha 100.8440097
_cell_angle_beta 100.8440097
_cell_angle_gamma 128.58892083
_space_group_na... | data_image0
_chemical_formula_structural Li16Fe8F32Li16Fe8F32Li16Fe8F32Li16Fe8F32
_chemical_formula_sum "Li64 Fe32 F128"
_cell_length_a 19.30491138
_cell_length_b 19.30491138
_cell_length_c 9.65245569
_cell_angle_alpha 100.8440097
_cell_angle_beta 100.8440097
_cell_angle_gamm... |
SuperCellAction | cb8b0ff1-f7a8-480d-98e3-d614729d7f14 | mp-770799 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Li10Nb2O10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_spac... | data_image0
_chemical_formula_structural Li10Nb2O10Li10Nb2O10Li10Nb2O10Li10Nb2O10Li10Nb2O10Li10Nb2O10
_chemical_formula_sum "Li60 Nb12 O60"
_cell_length_a 16.5242331
_cell_length_b 5.5080777
_cell_length_c 18.18403348
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46... |
SuperCellAction | 184a1692-a959-4f3a-917f-d5a305a8b24a | mp-1218785 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Sr8Ca3NdTl2Cu8Pb2O28
_chemical_formula_sum "Sr8 Ca3 Nd1 Tl2 Cu8 Pb2 O28"
_cell_length_a 13.3986122
_cell_length_b 13.39814014
_cell_length_c 7.618955399999999
_cell_angle_alpha 73.48496824000001
_cell_angle_beta 73.47816135
_cell_angle... | data_image0
_chemical_formula_structural Sr8Ca3NdTl2Cu8Pb2O28Sr8Ca3NdTl2Cu8Pb2O28Sr8Ca3NdTl2Cu8Pb2O28Sr8Ca3NdTl2Cu8Pb2O28Sr8Ca3NdTl2Cu8Pb2O28Sr8Ca3NdTl2Cu8Pb2O28Sr8Ca3NdTl2Cu8Pb2O28Sr8Ca3NdTl2Cu8Pb2O28
_chemical_formula_sum "Sr64 Ca24 Nd8 Tl16 Cu64 Pb16 O224"
_cell_length_a 26.7972244
_cell_len... |
SuperCellAction | 54b7d75a-0bd2-4f66-ab74-59c0e2ca84d7 | mp-1110792 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Na3InCl6
_chemical_formula_sum "Na3 In1 Cl6"
_cell_length_a 7.37474189
_cell_length_b 7.37474189
_cell_length_c 7.374741889999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Na3InCl6Na3InCl6Na3InCl6Na3InCl6Na3InCl6Na3InCl6Na3InCl6Na3InCl6
_chemical_formula_sum "Na24 In8 Cl48"
_cell_length_a 29.49896756
_cell_length_b 7.37474189
_cell_length_c 14.749483779999998
_cell_angle_alpha 59.999999999999986
_cell_angle_... |
SuperCellAction | 60dc31f6-fa90-49c8-a2b8-1afdffca0b00 | mp-1221912 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrGa3S8Mn2CrGa3S8Mn2CrGa3S8Mn2CrGa3S8
_chemical_formula_sum "Mn8 Cr4 Ga12 S32"
_cell_length_a 12.591627
_cell_length_b 25.183254
_cell_length_c 12.953190859999998
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angl... |
SuperCellAction | 06ef24ee-a1e7-42c1-8b4d-298266bc2a69 | mp-2884 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Cs4Mn6S8
_chemical_formula_sum "Cs4 Mn6 S8"
_cell_length_a 6.08330977
_cell_length_b 9.652656439999998
_cell_length_c 9.65265607
_cell_angle_alpha 73.9593348
_cell_angle_beta 71.63250836
_cell_angle_gamma 71.63250777
_space_group_n... | data_image0
_chemical_formula_structural Cs4Mn6S8Cs4Mn6S8Cs4Mn6S8Cs4Mn6S8Cs4Mn6S8Cs4Mn6S8Cs4Mn6S8Cs4Mn6S8
_chemical_formula_sum "Cs32 Mn48 S64"
_cell_length_a 6.08330977
_cell_length_b 19.305312879999995
_cell_length_c 38.61062428
_cell_angle_alpha 73.9593348
_cell_angle_beta ... |
SuperCellAction | 565bb99e-5c05-422e-9b03-d280fe163be0 | mp-558545 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural C8S4N12Cl12
_chemical_formula_sum "C8 S4 N12 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural C8S4N12Cl12C8S4N12Cl12C8S4N12Cl12C8S4N12Cl12C8S4N12Cl12C8S4N12Cl12C8S4N12Cl12C8S4N12Cl12
_chemical_formula_sum "C64 S32 N96 Cl96"
_cell_length_a 31.063684
_cell_length_b 8.326056
_cell_length_c 25.15183666
_cell_angle_alpha 84.22908205
_ce... |
SuperCellAction | c4615a6f-58f8-47e7-8f95-c810f659b16a | mp-705680 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural La4Mo4O18La4Mo4O18La4Mo4O18La4Mo4O18
_chemical_formula_sum "La16 Mo16 O72"
_cell_length_a 7.270955
_cell_length_b 29.158516560000002
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle... |
SuperCellAction | 873a2806-5832-41d5-a5fd-82e36bdcc2ab | mp-25284 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Li2Mn4Ni2O12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_gr... | data_image0
_chemical_formula_structural Li2Mn4Ni2O12Li2Mn4Ni2O12Li2Mn4Ni2O12Li2Mn4Ni2O12Li2Mn4Ni2O12Li2Mn4Ni2O12Li2Mn4Ni2O12Li2Mn4Ni2O12
_chemical_formula_sum "Li16 Mn32 Ni16 O96"
_cell_length_a 10.09800036
_cell_length_b 5.04906524
_cell_length_c 41.69429464
_cell_angle_alpha 8... |
SuperCellAction | 8a6eb427-0d05-4fa2-b2a2-63e43e491360 | mp-643263 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Na3VH6O7
_chemical_formula_sum "Na3 V1 H6 O7"
_cell_length_a 5.58858274
_cell_length_b 5.58858274
_cell_length_c 5.588582330000001
_cell_angle_alpha 100.00373742
_cell_angle_beta 100.00373742
_cell_angle_gamma 100.00374030000002
_s... | data_image0
_chemical_formula_structural Na3VH6O7Na3VH6O7Na3VH6O7Na3VH6O7Na3VH6O7Na3VH6O7Na3VH6O7Na3VH6O7
_chemical_formula_sum "Na24 V8 H48 O56"
_cell_length_a 11.17716548
_cell_length_b 22.35433096
_cell_length_c 5.588582330000001
_cell_angle_alpha 100.00373742
_cell_angle_beta... |
SuperCellAction | 6324db42-8451-4916-b3a4-66936819cac9 | mp-697170 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Mg4H24Br8N8
_chemical_formula_sum "Mg4 H24 Br8 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg4H24Br8N8Mg4H24Br8N8Mg4H24Br8N8Mg4H24Br8N8Mg4H24Br8N8Mg4H24Br8N8
_chemical_formula_sum "Mg24 H144 Br48 N48"
_cell_length_a 6.012089
_cell_length_b 24.140358000000003
_cell_length_c 24.01215
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 5469b7fe-6c14-45f3-9b6d-f1ae77ab0462 | mp-1193845 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al7Cu16Ho6Al7Cu16Ho6Al7Cu16Ho6Al7Cu16
_chemical_formula_sum "Ho24 Al28 Cu64"
_cell_length_a 34.82062492
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell... |
SuperCellAction | f521c2d6-f486-45a9-aa87-00e3e1922cde | mp-1106174 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Tb14Rh6
_chemical_formula_sum "Tb14 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095888
_sp... | data_image0
_chemical_formula_structural Tb14Rh6Tb14Rh6Tb14Rh6Tb14Rh6
_chemical_formula_sum "Tb56 Rh24"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 39.195986600000005
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_ga... |
SuperCellAction | 32cc3087-3177-448f-9177-e0d981e6d0ae | mp-16431 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural NdFe4P12
_chemical_formula_sum "Nd1 Fe4 P12"
_cell_length_a 6.73505209
_cell_length_b 6.73505184
_cell_length_c 6.73505201
_cell_angle_alpha 109.47122118
_cell_angle_beta 109.47122044
_cell_angle_gamma 109.47122162
_space_group_nam... | data_image0
_chemical_formula_structural NdFe4P12NdFe4P12NdFe4P12NdFe4P12NdFe4P12NdFe4P12
_chemical_formula_sum "Nd6 Fe24 P72"
_cell_length_a 20.20515627
_cell_length_b 6.73505184
_cell_length_c 13.47010402
_cell_angle_alpha 109.47122118
_cell_angle_beta 109.47122044
_cell_an... |
SuperCellAction | 485fad38-d965-4aae-be39-185863934bd1 | mp-1236250 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural LiCo5SbO8
_chemical_formula_sum "Li1 Co5 Sb1 O8"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... | data_image0
_chemical_formula_structural LiCo5SbO8LiCo5SbO8LiCo5SbO8LiCo5SbO8
_chemical_formula_sum "Li4 Co20 Sb4 O32"
_cell_length_a 12.64162636
_cell_length_b 11.91889902
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell... |
SuperCellAction | 8bd98883-b497-4495-985c-7c41644d4c95 | mp-675818 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li11TiAs5Li11TiAs5Li11TiAs5Li11TiAs5Li11TiAs5Li11TiAs5Li11TiAs5Li11TiAs5
_chemical_formula_sum "Li88 Ti8 As40"
_cell_length_a 29.68990424
_cell_length_b 7.42247606
_cell_length_c 21.203202199999996
_cell_angle_alpha 63.42659419999999
_cell... |
SuperCellAction | 23277edc-4744-42cf-8a7a-4392088fa813 | mp-1043721 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20Mg4Sn4Bi4O20Mg4Sn4Bi4O20Mg4Sn4Bi4O20Mg4Sn4Bi4O20Mg4Sn4Bi4O20Mg4Sn4Bi4O20Mg4Sn4Bi4O20
_chemical_formula_sum "Mg32 Sn32 Bi32 O160"
_cell_length_a 44.21938
_cell_length_b 10.885496
_cell_length_c 8.7199251
_cell_angle_alpha 68.833... |
SuperCellAction | f1ee1719-0629-4309-970f-f4d404bcaf06 | mp-1180529 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Li4Mn4P4O20
_chemical_formula_sum "Li4 Mn4 P4 O20"
_cell_length_a 5.17989019
_cell_length_b 6.93803572
_cell_length_c 10.275966780000001
_cell_angle_alpha 76.82840957
_cell_angle_beta 98.12029334000002
_cell_angle_gamma 72.52584848
... | data_image0
_chemical_formula_structural Li4Mn4P4O20Li4Mn4P4O20Li4Mn4P4O20Li4Mn4P4O20Li4Mn4P4O20Li4Mn4P4O20Li4Mn4P4O20Li4Mn4P4O20
_chemical_formula_sum "Li32 Mn32 P32 O160"
_cell_length_a 20.71956076
_cell_length_b 6.93803572
_cell_length_c 20.551933560000002
_cell_angle_alpha 76... |
SuperCellAction | f614a9f0-929c-4e8b-ab23-1ebbdddc07e9 | mp-1226424 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Cs6Er10P12S48
_chemical_formula_sum "Cs6 Er10 P12 S48"
_cell_length_a 10.39362307
_cell_length_b 10.39362307
_cell_length_c 20.86577793
_cell_angle_alpha 79.67882168
_cell_angle_beta 79.67882168
_cell_angle_gamma 77.98851011
_space... | data_image0
_chemical_formula_structural Cs6Er10P12S48Cs6Er10P12S48Cs6Er10P12S48Cs6Er10P12S48Cs6Er10P12S48Cs6Er10P12S48Cs6Er10P12S48Cs6Er10P12S48
_chemical_formula_sum "Cs48 Er80 P96 S384"
_cell_length_a 41.57449228
_cell_length_b 10.39362307
_cell_length_c 41.73155586
_cell_angle_a... |
SuperCellAction | 11bd981b-f370-404d-beab-79645ecae69a | mp-766117 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Sn16N16O8
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.851814
_cell_length_b 8.8536901
_cell_length_c 8.85845561
_cell_angle_alpha 109.55405563999999
_cell_angle_beta 109.51343367000001
_cell_angle_gamma 109.21073575
_space... | data_image0
_chemical_formula_structural Sn16N16O8Sn16N16O8Sn16N16O8Sn16N16O8
_chemical_formula_sum "Sn64 N64 O32"
_cell_length_a 8.851814
_cell_length_b 17.7073802
_cell_length_c 17.71691122
_cell_angle_alpha 109.55405563999999
_cell_angle_beta 109.51343367000001
_cell_angle... |
SuperCellAction | e41a3ab0-1157-42e9-a5b9-09846346b902 | mp-1189274 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Er12Ru4
_chemical_formula_sum "Er12 Ru4"
_cell_length_a 6.236655
_cell_length_b 7.272444
_cell_length_c 9.101117
_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 Er12Ru4Er12Ru4Er12Ru4Er12Ru4Er12Ru4Er12Ru4Er12Ru4Er12Ru4
_chemical_formula_sum "Er96 Ru32"
_cell_length_a 6.236655
_cell_length_b 14.544888
_cell_length_c 36.404468
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | c3d585cc-56af-4574-bfd8-46cc12281080 | mp-29957 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Zr15Te18
_chemical_formula_sum "Zr15 Te18"
_cell_length_a 11.82219029
_cell_length_b 11.822189119999999
_cell_length_c 7.14790746
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999442
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr15Te18Zr15Te18Zr15Te18Zr15Te18
_chemical_formula_sum "Zr60 Te72"
_cell_length_a 11.82219029
_cell_length_b 47.288756479999996
_cell_length_c 7.14790746
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999442
_... |
SuperCellAction | 1c9f6a8b-dde5-40ca-97d3-29f26ecc3270 | mp-1102040 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Ca4Sn4Pt4
_chemical_formula_sum "Ca4 Sn4 Pt4"
_cell_length_a 4.62387607
_cell_length_b 7.37953147
_cell_length_c 7.90536517
_cell_angle_alpha 90.00431855
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca4Sn4Pt4Ca4Sn4Pt4Ca4Sn4Pt4Ca4Sn4Pt4Ca4Sn4Pt4Ca4Sn4Pt4Ca4Sn4Pt4Ca4Sn4Pt4
_chemical_formula_sum "Ca32 Sn32 Pt32"
_cell_length_a 18.49550428
_cell_length_b 14.75906294
_cell_length_c 7.90536517
_cell_angle_alpha 90.00431855
_cell_angle_beta ... |
SuperCellAction | 6e4ad62a-e905-45c7-93d0-b9c24ff22457 | mp-1220018 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Pr2Mn17C2
_chemical_formula_sum "Pr2 Mn17 C2"
_cell_length_a 6.50467078
_cell_length_b 6.504670779999999
_cell_length_c 6.48206035
_cell_angle_alpha 83.62653849000002
_cell_angle_beta 83.62653849000002
_cell_angle_gamma 84.31488702
... | data_image0
_chemical_formula_structural Pr2Mn17C2Pr2Mn17C2Pr2Mn17C2Pr2Mn17C2Pr2Mn17C2Pr2Mn17C2Pr2Mn17C2Pr2Mn17C2
_chemical_formula_sum "Pr16 Mn136 C16"
_cell_length_a 26.01868312
_cell_length_b 6.504670779999999
_cell_length_c 12.9641207
_cell_angle_alpha 83.62653849000002
_cell... |
SuperCellAction | ee610ecb-e257-406b-87f1-9a19ddb16e9c | mp-1228744 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6V8P12O48Ba6V8P12O48Ba6V8P12O48Ba6V8P12O48Ba6V8P12O48Ba6V8P12O48
_chemical_formula_sum "Ba36 V48 P72 O288"
_cell_length_a 10.082441
_cell_length_b 20.101476
_cell_length_c 30.231694559999994
_cell_angle_alpha 89.82967992
_cell_angle_beta... |
SuperCellAction | f575b3e7-3982-4917-a679-51d979d98e5a | mp-760194 | Create a supercell with the size 3 by 1 by 2. | 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 Li8V8F48Li8V8F48Li8V8F48Li8V8F48Li8V8F48Li8V8F48
_chemical_formula_sum "Li48 V48 F288"
_cell_length_a 28.16469
_cell_length_b 9.211635
_cell_length_c 31.24022786
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 92b8c355-3108-45a9-a3a7-34d6006e7a4a | mp-1181679 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Ga8Si8C32N8
_chemical_formula_sum "Ga8 Si8 C32 N8"
_cell_length_a 10.01110904
_cell_length_b 10.01110904
_cell_length_c 16.697649989999995
_cell_angle_alpha 71.56542631999999
_cell_angle_beta 71.56542631999999
_cell_angle_gamma 58.4... | data_image0
_chemical_formula_structural Ga8Si8C32N8Ga8Si8C32N8Ga8Si8C32N8
_chemical_formula_sum "Ga24 Si24 C96 N24"
_cell_length_a 30.033327119999996
_cell_length_b 10.01110904
_cell_length_c 16.697649989999995
_cell_angle_alpha 71.56542631999999
_cell_angle_beta 71.56542631... |
SuperCellAction | 07272283-6adc-4bf0-b88b-b45aeef47c41 | mp-1101024 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Ti4Zn8O16
_chemical_formula_sum "Ti4 Zn8 O16"
_cell_length_a 6.074403
_cell_length_b 6.074403
_cell_length_c 12.834414
_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 Ti4Zn8O16Ti4Zn8O16Ti4Zn8O16Ti4Zn8O16
_chemical_formula_sum "Ti16 Zn32 O64"
_cell_length_a 24.297612
_cell_length_b 6.074403
_cell_length_c 12.834414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 7d210716-eda9-4a56-b9a4-6b703ad2b16c | mp-1518110 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuYCoO6SrEuYCoO6
_chemical_formula_sum "Sr2 Eu2 Y2 Co2 O12"
_cell_length_a 11.40171428
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gam... |
SuperCellAction | 70517050-a8c7-4622-878f-0c819bc8f267 | mp-770874 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32Na12Co4P2C8O32
_chemical_formula_sum "Na96 Co32 P16 C64 O256"
_cell_length_a 39.47147552
_cell_length_b 9.86786888
_cell_length_c 19.73573776
_c... |
SuperCellAction | 1fd5c87c-0675-4757-93ae-308a34b903c4 | mp-29082 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Ba10Cr2N10
_chemical_formula_sum "Ba10 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043599999... | data_image0
_chemical_formula_structural Ba10Cr2N10Ba10Cr2N10
_chemical_formula_sum "Ba20 Cr4 N20"
_cell_length_a 7.94728499
_cell_length_b 15.894574040000002
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.07... |
SuperCellAction | 4d499215-3601-4f87-b331-1e45348d99ef | mp-1212423 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Ho12In3Fe2
_chemical_formula_sum "Ho12 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_... | data_image0
_chemical_formula_structural Ho12In3Fe2Ho12In3Fe2Ho12In3Fe2Ho12In3Fe2Ho12In3Fe2Ho12In3Fe2
_chemical_formula_sum "Ho72 In18 Fe12"
_cell_length_a 8.42112116
_cell_length_b 25.26336537
_cell_length_c 16.84223868
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.112... |
SuperCellAction | 9401b26e-a9f5-4d11-8d57-694875cec709 | mp-1201334 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH20PdC4N4O12NiH20PdC4N4O12NiH20PdC4N4O12NiH20PdC4N4O12
_chemical_formula_sum "Ni4 H80 Pd4 C16 N16 O48"
_cell_length_a 14.381354
_cell_length_b 14.902038
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.8026... |
SuperCellAction | b17e1ee7-89c2-419b-886e-0482b3319e12 | mp-698325 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Ba4H16C12O24
_chemical_formula_sum "Ba4 H16 C12 O24"
_cell_length_a 10.71447654
_cell_length_b 10.71447654
_cell_length_c 10.71447654
_cell_angle_alpha 96.37232983999999
_cell_angle_beta 96.37232983999999
_cell_angle_gamma 141.07982... | data_image0
_chemical_formula_structural Ba4H16C12O24Ba4H16C12O24
_chemical_formula_sum "Ba8 H32 C24 O48"
_cell_length_a 21.42895308
_cell_length_b 10.71447654
_cell_length_c 10.71447654
_cell_angle_alpha 96.37232983999999
_cell_angle_beta 96.37232983999999
_cell_angle_gamma ... |
SuperCellAction | d6721fca-4352-42f8-80a3-e642ce218ce1 | mp-1031354 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Mg6TiCO8
_chemical_formula_sum "Mg6 Ti1 C1 O8"
_cell_length_a 9.12217365
_cell_length_b 4.17574505
_cell_length_c 4.17574505
_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 Mg6TiCO8Mg6TiCO8Mg6TiCO8Mg6TiCO8Mg6TiCO8Mg6TiCO8Mg6TiCO8Mg6TiCO8
_chemical_formula_sum "Mg48 Ti8 C8 O64"
_cell_length_a 18.2443473
_cell_length_b 8.3514901
_cell_length_c 8.3514901
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | e21952f7-21a3-404a-8372-0edb2f66cc29 | mp-532718 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36Ca6Nd6Mn12O36Ca6Nd6Mn12O36Ca6Nd6Mn12O36
_chemical_formula_sum "Ca24 Nd24 Mn48 O144"
_cell_length_a 32.594432
_cell_length_b 10.947586
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 1d95bc24-bb7e-44b6-968d-11a29326d3b3 | mp-1212504 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P12H20W4O36Nd8P12H20W4O36
_chemical_formula_sum "Nd16 P24 H40 W8 O72"
_cell_length_a 8.81237
_cell_length_b 19.718248
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | b850dc39-838e-4420-9929-de7ab6eccbee | mp-1194285 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Lu4Mo4Br4O16
_chemical_formula_sum "Lu4 Mo4 Br4 O16"
_cell_length_a 6.937912
_cell_length_b 7.20254013
_cell_length_c 10.77698893
_cell_angle_alpha 102.83320016000002
_cell_angle_beta 107.80925864
_cell_angle_gamma 95.42992557
_spa... | data_image0
_chemical_formula_structural Lu4Mo4Br4O16Lu4Mo4Br4O16Lu4Mo4Br4O16Lu4Mo4Br4O16Lu4Mo4Br4O16Lu4Mo4Br4O16
_chemical_formula_sum "Lu24 Mo24 Br24 O96"
_cell_length_a 6.937912
_cell_length_b 21.607620389999997
_cell_length_c 21.55397786
_cell_angle_alpha 102.83320016000002
_... |
SuperCellAction | 3fde5b2d-6673-42fd-954f-369cf9172965 | mp-980108 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12Sm4Mg2Ir2O12Sm4Mg2Ir2O12
_chemical_formula_sum "Sm12 Mg6 Ir6 O36"
_cell_length_a 17.280582000000003
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | b1a64a57-fa22-4371-9b02-2d2cc4beaef9 | mp-1046973 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16Nb4Zn4Ni2O16Nb4Zn4Ni2O16Nb4Zn4Ni2O16Nb4Zn4Ni2O16Nb4Zn4Ni2O16
_chemical_formula_sum "Nb24 Zn24 Ni12 O96"
_cell_length_a 20.19919518
_cell_length_b 30.298792769999995
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_an... |
SuperCellAction | 33d893ac-151e-4b8b-9bc8-a15c819ccb31 | mp-761271 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Li8V4O4F16
_chemical_formula_sum "Li8 V4 O4 F16"
_cell_length_a 5.048083
_cell_length_b 7.22002559
_cell_length_c 10.34605698
_cell_angle_alpha 108.97466729
_cell_angle_beta 89.78271863999998
_cell_angle_gamma 91.13500279
_space_gr... | data_image0
_chemical_formula_structural Li8V4O4F16Li8V4O4F16Li8V4O4F16Li8V4O4F16Li8V4O4F16Li8V4O4F16Li8V4O4F16Li8V4O4F16
_chemical_formula_sum "Li64 V32 O32 F128"
_cell_length_a 5.048083
_cell_length_b 14.44005118
_cell_length_c 41.38422792
_cell_angle_alpha 108.97466729
_cell_a... |
SuperCellAction | d61b508b-7736-45d6-b72f-ebacad8e432e | mp-1219571 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Rb2Mg2Cr2F12
_chemical_formula_sum "Rb2 Mg2 Cr2 F12"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space_gr... | data_image0
_chemical_formula_structural Rb2Mg2Cr2F12Rb2Mg2Cr2F12Rb2Mg2Cr2F12
_chemical_formula_sum "Rb6 Mg6 Cr6 F36"
_cell_length_a 22.04954682
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma ... |
SuperCellAction | 61f187ad-9a44-44d6-82be-e67152186717 | mp-685281 | Create a supercell with the size 1*2*2. | 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 TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6TiZnH12O6F6
_chemical_formula_sum "Ti4 Zn4 H48 O24 F24"
_cell_length_a 6.52220492
_cell_length_b 13.04440984
_cell_length_c 13.044411400000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
... |
SuperCellAction | 9c356860-d9a5-4210-bce7-1592715fa7fc | mp-759040 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Li2Mn4P10O30
_chemical_formula_sum "Li2 Mn4 P10 O30"
_cell_length_a 13.185954
_cell_length_b 5.174124
_cell_length_c 8.74285195
_cell_angle_alpha 76.53825297
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2Mn4P10O30Li2Mn4P10O30Li2Mn4P10O30Li2Mn4P10O30
_chemical_formula_sum "Li8 Mn16 P40 O120"
_cell_length_a 13.185954
_cell_length_b 20.696496
_cell_length_c 8.74285195
_cell_angle_alpha 76.53825297
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | a03036a0-f489-4acc-9ed9-37e480006fd0 | mp-510056 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural CaV4Cu3O12
_chemical_formula_sum "Ca1 V4 Cu3 O12"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural CaV4Cu3O12CaV4Cu3O12CaV4Cu3O12CaV4Cu3O12CaV4Cu3O12CaV4Cu3O12CaV4Cu3O12CaV4Cu3O12
_chemical_formula_sum "Ca8 V32 Cu24 O96"
_cell_length_a 6.41600809
_cell_length_b 25.66403236
_cell_length_c 12.83201618
_cell_angle_alpha 109.47122063
_cell_... |
SuperCellAction | f36e72d2-36a3-4fc2-bec1-a67b73c34b4b | mp-556233 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural KAs4ClO6
_chemical_formula_sum "K1 As4 Cl1 O6"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural KAs4ClO6KAs4ClO6KAs4ClO6KAs4ClO6KAs4ClO6KAs4ClO6KAs4ClO6KAs4ClO6
_chemical_formula_sum "K8 As32 Cl8 O48"
_cell_length_a 5.25328503
_cell_length_b 10.50657006
_cell_length_c 35.78314648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 017a994f-689c-4ecd-b555-bbee6d3f2846 | mp-753289 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.277474
_cell_length_b 6.019728
_cell_length_c 12.778571
_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 Li4V4F20Li4V4F20Li4V4F20Li4V4F20
_chemical_formula_sum "Li16 V16 F80"
_cell_length_a 10.554948
_cell_length_b 6.019728
_cell_length_c 25.557142
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 42b35c51-3cae-4ea7-8a37-0509c79ac7e4 | mp-18612 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Rb8Mo4S16
_chemical_formula_sum "Rb8 Mo4 S16"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_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 Rb8Mo4S16Rb8Mo4S16
_chemical_formula_sum "Rb16 Mo8 S32"
_cell_length_a 14.12298924
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 178a5f84-40c9-43b9-a88f-4e7e2e8266e0 | mp-27623 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Na24Pb4O16
_chemical_formula_sum "Na24 Pb4 O16"
_cell_length_a 9.78566964
_cell_length_b 9.785669640000002
_cell_length_c 9.78566964
_cell_angle_alpha 109.47122062999999
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
... | data_image0
_chemical_formula_structural Na24Pb4O16Na24Pb4O16Na24Pb4O16Na24Pb4O16Na24Pb4O16Na24Pb4O16Na24Pb4O16Na24Pb4O16
_chemical_formula_sum "Na192 Pb32 O128"
_cell_length_a 19.57133928
_cell_length_b 39.14267856000001
_cell_length_c 9.78566964
_cell_angle_alpha 109.4712206299... |
SuperCellAction | a0e332f6-e5e4-4fa1-88e7-1ee79bb5e2d3 | mp-1226129 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Eu2Ga4Ge8
_chemical_formula_sum "Eu2 Ga4 Ge8"
_cell_length_a 5.9707076
_cell_length_b 5.9707076
_cell_length_c 13.026865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87322931
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Eu2Ga4Ge8Eu2Ga4Ge8Eu2Ga4Ge8Eu2Ga4Ge8Eu2Ga4Ge8Eu2Ga4Ge8
_chemical_formula_sum "Eu12 Ga24 Ge48"
_cell_length_a 5.9707076
_cell_length_b 11.9414152
_cell_length_c 39.080595
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 214ac7c8-5659-4835-ad45-5e18c4efeb06 | mp-557908 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural As2H10C2O2F12
_chemical_formula_sum "As2 H10 C2 O2 F12"
_cell_length_a 7.184076
_cell_length_b 5.027073
_cell_length_c 8.786539
_cell_angle_alpha 82.24691323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural As2H10C2O2F12As2H10C2O2F12
_chemical_formula_sum "As4 H20 C4 O4 F24"
_cell_length_a 7.184076
_cell_length_b 10.054146
_cell_length_c 8.786539
_cell_angle_alpha 82.24691323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | a2d1e221-ec77-4832-a549-d2a5e273d82f | mp-20673 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural MgFe6Ge6
_chemical_formula_sum "Mg1 Fe6 Ge6"
_cell_length_a 5.04725081
_cell_length_b 5.04725561
_cell_length_c 8.18325318
_cell_angle_alpha 90.00000679000001
_cell_angle_beta 89.99998393
_cell_angle_gamma 119.99769413000001
_space... | data_image0
_chemical_formula_structural MgFe6Ge6MgFe6Ge6MgFe6Ge6MgFe6Ge6
_chemical_formula_sum "Mg4 Fe24 Ge24"
_cell_length_a 10.09450162
_cell_length_b 5.04725561
_cell_length_c 16.36650636
_cell_angle_alpha 90.00000679000001
_cell_angle_beta 89.99998393
_cell_angle_gamma ... |
SuperCellAction | 25cc16c7-7ed3-43d7-ab23-b2339d638f2c | mp-758878 | Create a supercell with the size 3X1X1. | 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 Li3Fe8O3F13Li3Fe8O3F13Li3Fe8O3F13
_chemical_formula_sum "Li9 Fe24 O9 F39"
_cell_length_a 18.93452604
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gam... |
SuperCellAction | 0a3a2fca-b477-4de5-a39e-cd3beee23e76 | mp-757738 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe19Co5O32Fe19Co5O32Fe19Co5O32Fe19Co5O32Fe19Co5O32Fe19Co5O32Fe19Co5O32Fe19Co5O32
_chemical_formula_sum "Fe152 Co40 O256"
_cell_length_a 17.04298346
_cell_length_b 34.08596691999999
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.165... |
SuperCellAction | 50b6dbe7-615a-45bd-9ac6-8fb78e5b7b11 | mp-560175 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Na8Th2Mo8O32
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... | data_image0
_chemical_formula_structural Na8Th2Mo8O32Na8Th2Mo8O32
_chemical_formula_sum "Na16 Th4 Mo16 O64"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 20.3635419
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80... |
SuperCellAction | cd730b1c-f2fd-425f-8bab-c6ea8610b9f6 | mp-779589 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Na12Sb20O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_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 Na12Sb20O56Na12Sb20O56Na12Sb20O56Na12Sb20O56
_chemical_formula_sum "Na48 Sb80 O224"
_cell_length_a 7.26747
_cell_length_b 30.357048
_cell_length_c 24.033403
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 299a2bdd-b054-4e25-85f2-0253758168c8 | mp-26941 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16
_chemical_formula_sum "Li24 Mn24 P24 O96"
_cell_length_a 11.393146
_cell_length_b 19.000251210000002
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_an... |
SuperCellAction | 8145dadd-5953-46db-8b3f-b18641131afa | mp-558119 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Lu16Mo16O44Lu16Mo16O44
_chemical_formula_sum "Lu32 Mo32 O88"
_cell_length_a 5.668748
_cell_length_b 21.337637
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 9e02583e-6df7-4162-9b06-9aff9776fbbf | mp-4344 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Ho2Ta2O8
_chemical_formula_sum "Ho2 Ta2 O8"
_cell_length_a 5.05083264
_cell_length_b 5.29953956
_cell_length_c 6.47320146
_cell_angle_alpha 111.87127597
_cell_angle_beta 110.58741784
_cell_angle_gamma 95.41100316000002
_space_group... | data_image0
_chemical_formula_structural Ho2Ta2O8Ho2Ta2O8Ho2Ta2O8
_chemical_formula_sum "Ho6 Ta6 O24"
_cell_length_a 5.05083264
_cell_length_b 5.29953956
_cell_length_c 19.419604380000003
_cell_angle_alpha 111.87127597
_cell_angle_beta 110.58741784
_cell_angle_gamma 95.411... |
SuperCellAction | 49ddc694-359c-4203-a76c-0a0fda33316a | mp-1206879 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural K3AuF6K3AuF6K3AuF6K3AuF6
_chemical_formula_sum "K12 Au4 F24"
_cell_length_a 6.98100443
_cell_length_b 16.63726948
_cell_length_c 14.01393872
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.1939... |
SuperCellAction | 965f9175-893f-4c4a-b5a3-2e258620ea1e | mp-1173626 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4C2O10Nd4C2O10Nd4C2O10Nd4C2O10
_chemical_formula_sum "Nd16 C8 O40"
_cell_length_a 4.03349494
_cell_length_b 8.06699028
_cell_length_c 31.37644928
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_... |
SuperCellAction | 640623cb-2c0b-4637-86bc-92d75697f1f5 | mp-532626 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural NdAl6Si30N45O3
_chemical_formula_sum "Nd1 Al6 Si30 N45 O3"
_cell_length_a 7.872321
_cell_length_b 7.89069507
_cell_length_c 17.14120903
_cell_angle_alpha 90.31063566
_cell_angle_beta 89.88884259
_cell_angle_gamma 119.55659519
_spac... | data_image0
_chemical_formula_structural NdAl6Si30N45O3NdAl6Si30N45O3
_chemical_formula_sum "Nd2 Al12 Si60 N90 O6"
_cell_length_a 7.872321
_cell_length_b 7.89069507
_cell_length_c 34.28241806
_cell_angle_alpha 90.31063566
_cell_angle_beta 89.88884259
_cell_angle_gamma 119.... |
SuperCellAction | d6a6618f-65ad-4fa2-85e5-600230ffc4a1 | mp-774947 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Li8Ti4Co14O36
_chemical_formula_sum "Li8 Ti4 Co14 O36"
_cell_length_a 2.896011
_cell_length_b 8.868692
_cell_length_c 24.938771
_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 Li8Ti4Co14O36Li8Ti4Co14O36Li8Ti4Co14O36Li8Ti4Co14O36
_chemical_formula_sum "Li32 Ti16 Co56 O144"
_cell_length_a 2.896011
_cell_length_b 17.737384
_cell_length_c 49.877542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | b8ec1136-4894-480e-afa5-f0841dfe63d8 | mp-1112428 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6K2EuAuCl6K2EuAuCl6K2EuAuCl6K2EuAuCl6K2EuAuCl6
_chemical_formula_sum "K12 Eu6 Au6 Cl36"
_cell_length_a 15.263062
_cell_length_b 7.6315315
_cell_length_c 22.89459363
_cell_angle_alpha 59.99999978999999
_cell_angle_beta 59.999996... |
SuperCellAction | 539f3b92-99a4-4f77-9060-5ccb6ddfb969 | mp-1246630 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Ca14Pt2N12
_chemical_formula_sum "Ca14 Pt2 N12"
_cell_length_a 6.33254985
_cell_length_b 9.11908289
_cell_length_c 9.11908289
_cell_angle_alpha 82.20883846
_cell_angle_beta 69.68298343
_cell_angle_gamma 69.68298343
_space_group_nam... | data_image0
_chemical_formula_structural Ca14Pt2N12Ca14Pt2N12
_chemical_formula_sum "Ca28 Pt4 N24"
_cell_length_a 6.33254985
_cell_length_b 18.23816578
_cell_length_c 9.11908289
_cell_angle_alpha 82.20883846
_cell_angle_beta 69.68298343
_cell_angle_gamma 69.68298343
_spac... |
SuperCellAction | cd4f8c66-a3fc-4bd7-8a4b-95a8e0f9d038 | mp-774323 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Li4MnV3P8O28
_chemical_formula_sum "Li4 Mn1 V3 P8 O28"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.11758347999998
_spa... | data_image0
_chemical_formula_structural Li4MnV3P8O28Li4MnV3P8O28Li4MnV3P8O28Li4MnV3P8O28
_chemical_formula_sum "Li16 Mn4 V12 P32 O112"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 28.64553536
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cel... |
SuperCellAction | 8e4be88d-d452-4105-9703-015a5fc10854 | mp-1238912 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Zr3CoF6
_chemical_formula_sum "Zr3 Co1 F6"
_cell_length_a 6.99722318
_cell_length_b 5.2410949
_cell_length_c 11.21304371
_cell_angle_alpha 100.66629732
_cell_angle_beta 121.83991844
_cell_angle_gamma 130.9559842
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CoF6Zr3CoF6Zr3CoF6Zr3CoF6Zr3CoF6Zr3CoF6Zr3CoF6Zr3CoF6
_chemical_formula_sum "Zr24 Co8 F48"
_cell_length_a 6.99722318
_cell_length_b 10.4821898
_cell_length_c 44.85217484
_cell_angle_alpha 100.66629732
_cell_angle_beta 121.83991844
_... |
SuperCellAction | a15a00ce-eda7-45bb-bba3-3e9ede3fcd39 | mp-1045008 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 Ba2AlW3O7Ba2AlW3O7Ba2AlW3O7Ba2AlW3O7Ba2AlW3O7Ba2AlW3O7Ba2AlW3O7Ba2AlW3O7
_chemical_formula_sum "Ba16 Al8 W24 O56"
_cell_length_a 6.89064
_cell_length_b 4.161211
_cell_length_c 54.258696
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | e6229df6-3327-4c40-a4c1-49825852add5 | mp-760233 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Mn2CrNi3P6O24
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837645
_... | data_image0
_chemical_formula_structural Mn2CrNi3P6O24Mn2CrNi3P6O24Mn2CrNi3P6O24Mn2CrNi3P6O24Mn2CrNi3P6O24Mn2CrNi3P6O24
_chemical_formula_sum "Mn12 Cr6 Ni18 P36 O144"
_cell_length_a 8.56250533
_cell_length_b 25.68751599
_cell_length_c 17.125010439999997
_cell_angle_alpha 60.58376... |
SuperCellAction | f0c91f4e-8e0f-428a-a111-eed487fbfe21 | mp-1181218 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Mn10Si10O30
_chemical_formula_sum "Mn10 Si10 O30"
_cell_length_a 5.97153001
_cell_length_b 8.86198514
_cell_length_c 13.087677069999998
_cell_angle_alpha 112.81467957
_cell_angle_beta 90.94879757999999
_cell_angle_gamma 90.32204255
... | data_image0
_chemical_formula_structural Mn10Si10O30Mn10Si10O30
_chemical_formula_sum "Mn20 Si20 O60"
_cell_length_a 11.94306002
_cell_length_b 8.86198514
_cell_length_c 13.087677069999998
_cell_angle_alpha 112.81467957
_cell_angle_beta 90.94879757999999
_cell_angle_gamma ... |
SuperCellAction | 2c4d46a8-4d64-4150-a137-b321b6c8744b | mp-767746 | Create a supercell with the size 1X2X2. | 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 Li12Mn2Fe3O16Li12Mn2Fe3O16Li12Mn2Fe3O16Li12Mn2Fe3O16
_chemical_formula_sum "Li48 Mn8 Fe12 O64"
_cell_length_a 5.817165
_cell_length_b 11.71716466
_cell_length_c 19.470592739999997
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965... |
SuperCellAction | f0858719-8768-4d25-bdc5-c0c7ca6ab3c0 | mp-2715422 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48
_chemical_formula_sum "Na96 Sc32 Al32 P96 O384"
_cell_length_a 30.60352368
_cell_length_b 35.17913784
_cell_length_c ... |
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