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 | 7c2ddd0a-85a0-4f4f-8203-c3c459ae4764 | mp-12109 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Zr4Re8
_chemical_formula_sum "Zr4 Re8"
_cell_length_a 5.28464166
_cell_length_b 5.28464215
_cell_length_c 8.65682963
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000331
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zr4Re8Zr4Re8Zr4Re8
_chemical_formula_sum "Zr12 Re24"
_cell_length_a 5.28464166
_cell_length_b 15.85392645
_cell_length_c 8.65682963
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000331
_space_group_name_H-M_a... |
SuperCellAction | 1b988b91-4ebd-43a7-8038-d375e73a09e7 | mp-758218 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Ti4P8O28Li4Ti4P8O28Li4Ti4P8O28Li4Ti4P8O28
_chemical_formula_sum "Li16 Ti16 P32 O112"
_cell_length_a 10.359292
_cell_length_b 17.357104
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | b3a2af39-99ac-4cf0-9b4f-8c38c4f0419e | mp-1520271 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural BaNdEuBiO6
_chemical_formula_sum "Ba1 Nd1 Eu1 Bi1 O6"
_cell_length_a 6.23844538
_cell_length_b 6.23844538
_cell_length_c 6.23844538
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural BaNdEuBiO6BaNdEuBiO6BaNdEuBiO6BaNdEuBiO6
_chemical_formula_sum "Ba4 Nd4 Eu4 Bi4 O24"
_cell_length_a 6.23844538
_cell_length_b 12.47689076
_cell_length_c 12.47689076
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.9999999999999... |
SuperCellAction | 87d7ee85-59a5-46e9-94e2-bed30cb8f726 | mp-1203577 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural U4C8Se8N8O44
_chemical_formula_sum "U4 C8 Se8 N8 O44"
_cell_length_a 8.69981
_cell_length_b 7.897119
_cell_length_c 23.5070027
_cell_angle_alpha 90.0
_cell_angle_beta 108.34456124
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4C8Se8N8O44U4C8Se8N8O44
_chemical_formula_sum "U8 C16 Se16 N16 O88"
_cell_length_a 8.69981
_cell_length_b 15.794238
_cell_length_c 23.5070027
_cell_angle_alpha 90.0
_cell_angle_beta 108.34456124
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 61021f5d-d49f-4324-a0cc-6d444b86445f | mp-2228450 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O8MgMn3Cd2O8MgMn3Cd2O8
_chemical_formula_sum "Mg3 Mn9 Cd6 O24"
_cell_length_a 5.33675026
_cell_length_b 18.69729687
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma ... |
SuperCellAction | 3f112231-02f5-4505-91b3-69a1716ffc87 | mp-1104064 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Zn2H2I2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_... | data_image0
_chemical_formula_structural Zn2H2I2O8Zn2H2I2O8Zn2H2I2O8Zn2H2I2O8Zn2H2I2O8Zn2H2I2O8Zn2H2I2O8Zn2H2I2O8
_chemical_formula_sum "Zn16 H16 I16 O64"
_cell_length_a 10.981242
_cell_length_b 25.68547316
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle... |
SuperCellAction | d9740ca6-9a83-402e-b990-1784751be6a8 | mp-666156 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Na4Te8O18
_chemical_formula_sum "Na4 Te8 O18"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_space_grou... | data_image0
_chemical_formula_structural Na4Te8O18Na4Te8O18Na4Te8O18Na4Te8O18Na4Te8O18Na4Te8O18
_chemical_formula_sum "Na24 Te48 O108"
_cell_length_a 7.007354
_cell_length_b 14.9897757
_cell_length_c 32.324560680000005
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.059421... |
SuperCellAction | f089d92f-f79e-4d1a-a8dc-c76c5809b2a5 | mp-1208560 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Ta2Tl2Cl12
_chemical_formula_sum "Ta2 Tl2 Cl12"
_cell_length_a 6.71945144
_cell_length_b 6.71945144
_cell_length_c 11.997800679999997
_cell_angle_alpha 79.75547407
_cell_angle_beta 79.75547407
_cell_angle_gamma 55.558061880000004
_... | data_image0
_chemical_formula_structural Ta2Tl2Cl12Ta2Tl2Cl12Ta2Tl2Cl12Ta2Tl2Cl12
_chemical_formula_sum "Ta8 Tl8 Cl48"
_cell_length_a 13.43890288
_cell_length_b 6.71945144
_cell_length_c 23.995601359999995
_cell_angle_alpha 79.75547407
_cell_angle_beta 79.75547407
_cell_angle... |
SuperCellAction | 50093d7c-b11d-498f-9a53-898a04d5211f | mp-850933 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2Fe8O14F2
_chemical_formula_sum "Fe64 O112 F16"
_cell_length_a 14.6596746
_cell_length_b 7.3298373
_cell_length_c 25.766256
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 57b99ffd-cfaf-4d8a-9789-b19304bb1ca2 | mp-1102559 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Nb4Se8
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nb4Se8Nb4Se8Nb4Se8Nb4Se8
_chemical_formula_sum "Nb16 Se32"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 104.81421336
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_gro... |
SuperCellAction | 8c739f91-ee2d-4ca5-a3b6-641b70491e16 | mp-979979 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Sm6Sb8Au6
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_group_na... | data_image0
_chemical_formula_structural Sm6Sb8Au6Sm6Sb8Au6Sm6Sb8Au6Sm6Sb8Au6Sm6Sb8Au6Sm6Sb8Au6Sm6Sb8Au6Sm6Sb8Au6
_chemical_formula_sum "Sm48 Sb64 Au48"
_cell_length_a 17.32813454
_cell_length_b 8.66406727
_cell_length_c 34.65626908
_cell_angle_alpha 109.47119828
_cell_angle_beta... |
SuperCellAction | c5745905-d941-4305-a3cf-4c795c29a756 | mp-1196015 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16Cs8P4Au4S16
_chemical_formula_sum "Cs64 P32 Au32 S128"
_cell_length_a 14.308176
_cell_length_b 14.581302
_cell_length_c 40.916748
_cell_angle_alpha 90.0
_cell_ang... |
SuperCellAction | 40f126d3-7d1d-469a-bf76-cd549a7ee641 | mp-756272 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural La4Dy4O12
_chemical_formula_sum "La4 Dy4 O12"
_cell_length_a 5.941605
_cell_length_b 6.1279
_cell_length_c 8.576976
_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 La4Dy4O12La4Dy4O12La4Dy4O12La4Dy4O12La4Dy4O12La4Dy4O12La4Dy4O12La4Dy4O12
_chemical_formula_sum "La32 Dy32 O96"
_cell_length_a 5.941605
_cell_length_b 24.5116
_cell_length_c 17.153952
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 02786a9e-db6b-4332-93f7-cf9238cd5dc5 | mp-756666 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 10.31772053
_cell_length_b 10.31772053
_cell_length_c 10.31772053
_cell_angle_alpha 133.39603304999997
_cell_angle_beta 133.39603304999997
_cell_angle_gamma 68.03288288
_sp... | data_image0
_chemical_formula_structural Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8
_chemical_formula_sum "Ba8 Ca8 I32"
_cell_length_a 20.63544106
_cell_length_b 20.63544106
_cell_length_c 10.31772053
_cell_angle_alpha 133.39603304999997
_cell_angle_beta 133.39603304999997
_cell_angle_... |
SuperCellAction | f934a66b-42a4-4723-bed9-a0e8e02a3801 | mp-1179847 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Pt4N8Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_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 Pt4N8Cl8Pt4N8Cl8Pt4N8Cl8Pt4N8Cl8
_chemical_formula_sum "Pt16 N32 Cl32"
_cell_length_a 20.836216
_cell_length_b 9.201537
_cell_length_c 9.42545
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | 14823972-f524-48eb-9c33-da309d2577c0 | mp-8081 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Na4Sn2F12
_chemical_formula_sum "Na4 Sn2 F12"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_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 Na4Sn2F12Na4Sn2F12Na4Sn2F12Na4Sn2F12Na4Sn2F12Na4Sn2F12Na4Sn2F12Na4Sn2F12
_chemical_formula_sum "Na32 Sn16 F96"
_cell_length_a 20.09044796
_cell_length_b 10.04522398
_cell_length_c 10.03062163
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 6f910943-547a-4089-bcec-7e9b06a809d7 | mp-23565 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Cr4AgBiO14
_chemical_formula_sum "Cr4 Ag1 Bi1 O14"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498199999... | data_image0
_chemical_formula_structural Cr4AgBiO14Cr4AgBiO14
_chemical_formula_sum "Cr8 Ag2 Bi2 O28"
_cell_length_a 7.38139862
_cell_length_b 14.76279724
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.62... |
SuperCellAction | 1f59d271-ed45-43ba-9df0-2ff2e2c2e3ba | mp-1197284 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural B12Pb6O22F4
_chemical_formula_sum "B12 Pb6 O22 F4"
_cell_length_a 8.455164
_cell_length_b 6.688282
_cell_length_c 10.14979484
_cell_angle_alpha 76.62846595
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural B12Pb6O22F4B12Pb6O22F4B12Pb6O22F4B12Pb6O22F4B12Pb6O22F4B12Pb6O22F4B12Pb6O22F4B12Pb6O22F4
_chemical_formula_sum "B96 Pb48 O176 F32"
_cell_length_a 16.910328
_cell_length_b 13.376564
_cell_length_c 20.29958968
_cell_angle_alpha 76.62846595
_... |
SuperCellAction | 76dbef5e-3f06-4114-b667-ef2d281b7d13 | mp-1520792 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... | data_image0
_chemical_formula_structural KLaZrTiO6KLaZrTiO6KLaZrTiO6KLaZrTiO6KLaZrTiO6KLaZrTiO6KLaZrTiO6KLaZrTiO6
_chemical_formula_sum "K8 La8 Zr8 Ti8 O48"
_cell_length_a 11.4727869
_cell_length_b 5.73639345
_cell_length_c 22.945573799999995
_cell_angle_alpha 59.999999999999986
... |
SuperCellAction | 552cad23-bded-4bd9-b289-592bf7845acb | mp-1182975 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Al2N8Cl8
_chemical_formula_sum "Al2 N8 Cl8"
_cell_length_a 9.69665784
_cell_length_b 9.69665784
_cell_length_c 4.07384405
_cell_angle_alpha 83.34149431000002
_cell_angle_beta 83.34149431000002
_cell_angle_gamma 62.09078063
_space_g... | data_image0
_chemical_formula_structural Al2N8Cl8Al2N8Cl8Al2N8Cl8Al2N8Cl8Al2N8Cl8Al2N8Cl8Al2N8Cl8Al2N8Cl8
_chemical_formula_sum "Al16 N64 Cl64"
_cell_length_a 19.39331568
_cell_length_b 19.39331568
_cell_length_c 8.1476881
_cell_angle_alpha 83.34149431000002
_cell_angle_beta ... |
SuperCellAction | 1905c974-f466-4bf9-b90e-7997a843e58a | mp-1214464 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Ca2Nb2O24F4
_chemical_formula_sum "Ca2 Nb2 O24 F4"
_cell_length_a 7.59644815
_cell_length_b 7.5964481500000005
_cell_length_c 7.59644815
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999... | data_image0
_chemical_formula_structural Ca2Nb2O24F4Ca2Nb2O24F4Ca2Nb2O24F4
_chemical_formula_sum "Ca6 Nb6 O72 F12"
_cell_length_a 22.789344449999998
_cell_length_b 7.5964481500000005
_cell_length_c 7.59644815
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999... |
SuperCellAction | f8f632f0-4067-4d7a-b80c-75332b84eee6 | mp-10091 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural K2V2Cu4Se8
_chemical_formula_sum "K2 V2 Cu4 Se8"
_cell_length_a 9.80277711
_cell_length_b 9.80277711
_cell_length_c 7.708865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74359664
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2V2Cu4Se8K2V2Cu4Se8K2V2Cu4Se8K2V2Cu4Se8K2V2Cu4Se8K2V2Cu4Se8K2V2Cu4Se8K2V2Cu4Se8
_chemical_formula_sum "K16 V16 Cu32 Se64"
_cell_length_a 39.21110844
_cell_length_b 9.80277711
_cell_length_c 15.41773
_cell_angle_alpha 90.0
_cell_angle_beta... |
SuperCellAction | 467b0fa5-67ed-4467-b181-3f2e9949dc7f | mp-1190979 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Sc16Ir8Sc16Ir8Sc16Ir8Sc16Ir8Sc16Ir8Sc16Ir8
_chemical_formula_sum "Sc96 Ir48"
_cell_length_a 8.69136518
_cell_length_b 17.38272744
_cell_length_c 26.07409773
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723
_cell_angle_g... |
SuperCellAction | 9019cf33-7c9d-4e12-8ba7-f2c046888dbe | mp-1201588 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Nd12Fe26Hg2
_chemical_formula_sum "Nd12 Fe26 Hg2"
_cell_length_a 8.093624
_cell_length_b 8.093624
_cell_length_c 12.82748412
_cell_angle_alpha 108.38978071999999
_cell_angle_beta 108.38978071999999
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Nd12Fe26Hg2Nd12Fe26Hg2Nd12Fe26Hg2
_chemical_formula_sum "Nd36 Fe78 Hg6"
_cell_length_a 24.280872000000002
_cell_length_b 8.093624
_cell_length_c 12.82748412
_cell_angle_alpha 108.38978071999999
_cell_angle_beta 108.38978071999999
_cell... |
SuperCellAction | 1330f7b3-135f-452f-88fe-7bf66434cf6f | mp-23675 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 H8Br2N2H8Br2N2H8Br2N2H8Br2N2
_chemical_formula_sum "H32 Br8 N8"
_cell_length_a 16.4269158
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | c9b73be1-a2d5-4427-98bc-950952669799 | mp-1182382 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Ca2O20
_chemical_formula_sum "Ca2 O20"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_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_nu... | data_image0
_chemical_formula_structural Ca2O20Ca2O20Ca2O20Ca2O20
_chemical_formula_sum "Ca8 O80"
_cell_length_a 5.608848
_cell_length_b 11.217696
_cell_length_c 16.81006
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SuperCellAction | 1f89927f-2cb8-472a-8d8a-76d63d2aced2 | mp-1223078 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... | data_image0
_chemical_formula_structural La4PtO7La4PtO7La4PtO7La4PtO7La4PtO7La4PtO7
_chemical_formula_sum "La24 Pt6 O42"
_cell_length_a 12.14433
_cell_length_b 7.0303997
_cell_length_c 14.520729779999998
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_g... |
SuperCellAction | 36ed990a-842b-430c-a82c-83ed9d8d689b | mp-567505 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8Si8C8
_chemical_formula_sum "Si16 C16"
_cell_length_a 6.15436886
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_al... |
SuperCellAction | c69e8a01-59c7-4ddf-9c4d-6685a218438d | mp-2232136 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... | data_image0
_chemical_formula_structural K2RbTbMgV2O8K2RbTbMgV2O8K2RbTbMgV2O8K2RbTbMgV2O8K2RbTbMgV2O8K2RbTbMgV2O8
_chemical_formula_sum "K12 Rb6 Tb6 Mg6 V12 O48"
_cell_length_a 18.595836
_cell_length_b 6.22052788
_cell_length_c 16.76687468
_cell_angle_alpha 93.4753762
_cell_angle... |
SuperCellAction | b62a9fef-bb51-4b71-939d-93ce1a82599f | mp-768242 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Pt4O12
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_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_nu... | data_image0
_chemical_formula_structural Pt4O12Pt4O12Pt4O12Pt4O12Pt4O12Pt4O12
_chemical_formula_sum "Pt24 O72"
_cell_length_a 9.85726
_cell_length_b 15.082434000000001
_cell_length_c 7.210065
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 1b5b8bc6-08f6-479e-9648-4926b71acbbd | mp-540477 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Li2MnP4O12
_chemical_formula_sum "Li2 Mn1 P4 O12"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.98866200000002
_sp... | data_image0
_chemical_formula_structural Li2MnP4O12Li2MnP4O12Li2MnP4O12Li2MnP4O12Li2MnP4O12Li2MnP4O12Li2MnP4O12Li2MnP4O12
_chemical_formula_sum "Li16 Mn8 P32 O96"
_cell_length_a 10.001352
_cell_length_b 14.2267048
_cell_length_c 15.06780292
_cell_angle_alpha 113.78511957
_cell_an... |
SuperCellAction | 76657e1d-6c5d-42e7-a9b4-cea7de83f305 | mp-1219571 | Create a supercell with the size 1 by 2 by 2. | 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 Rb2Mg2Cr2F12Rb2Mg2Cr2F12Rb2Mg2Cr2F12Rb2Mg2Cr2F12
_chemical_formula_sum "Rb8 Mg8 Cr8 F48"
_cell_length_a 7.34984894
_cell_length_b 14.69969788
_cell_length_c 14.69969788
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell... |
SuperCellAction | 867a5843-084a-4351-92b4-41f553f68e5e | mp-1200661 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural K4Na12In36
_chemical_formula_sum "K4 Na12 In36"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K4Na12In36K4Na12In36K4Na12In36K4Na12In36K4Na12In36K4Na12In36K4Na12In36K4Na12In36
_chemical_formula_sum "K32 Na96 In288"
_cell_length_a 19.80186012
_cell_length_b 39.60372024
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | b063bbe8-d0e0-4579-8d02-acd522353812 | mp-1198231 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Tl8V8P8O48
_chemical_formula_sum "Tl8 V8 P8 O48"
_cell_length_a 6.827148
_cell_length_b 9.69264
_cell_length_c 18.06332
_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 Tl8V8P8O48Tl8V8P8O48Tl8V8P8O48Tl8V8P8O48Tl8V8P8O48Tl8V8P8O48Tl8V8P8O48Tl8V8P8O48
_chemical_formula_sum "Tl64 V64 P64 O384"
_cell_length_a 6.827148
_cell_length_b 38.77056
_cell_length_c 36.12664
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 1be197d7-e2e2-4dfa-957b-57972862f5b5 | mp-752818 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Li4Co7O3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_space_gro... | data_image0
_chemical_formula_structural Li4Co7O3F13Li4Co7O3F13Li4Co7O3F13Li4Co7O3F13Li4Co7O3F13Li4Co7O3F13Li4Co7O3F13Li4Co7O3F13
_chemical_formula_sum "Li32 Co56 O24 F104"
_cell_length_a 24.687421
_cell_length_b 12.18635502
_cell_length_c 10.53983558
_cell_angle_alpha 105.484863... |
SuperCellAction | 51fcdbdf-dd67-4c46-b513-8f8aeddbdfff | mp-1218449 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12
_chemical_formula_sum "Sr12 Ca36 Ir12 O72"
_cell_length_a 13.364716
_cell_length_b 6.682358
_cell_length_c 20.165022719999996
_cell_angle_alpha 89.13156517
_cell_angl... |
SuperCellAction | e8d29548-f961-489c-82c9-e356d2cd9d6a | mp-1182238 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba8O16Ba8O16Ba8O16Ba8O16Ba8O16Ba8O16Ba8O16Ba8O16
_chemical_formula_sum "Ba64 O128"
_cell_length_a 5.825256
_cell_length_b 30.734416
_cell_length_c 22.25660052
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90... |
SuperCellAction | 913b037f-58e1-4084-a2b1-053978088cf8 | mp-627591 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16
_chemical_formula_sum "Fe64 Si32 S128"
_cell_length_a 23.232628
_cell_length_b 14.053854
_cell_length_c 12.166527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 6ff83c68-bebf-4c8c-92f7-831c505ac469 | mp-22106 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd4Ni4O12Nd4Ni4O12Nd4Ni4O12Nd4Ni4O12
_chemical_formula_sum "Nd16 Ni16 O48"
_cell_length_a 10.76752754
_cell_length_b 10.77715592
_cell_length_c 7.604511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 5ab2f818-95bc-49e6-892d-60953ee22450 | mp-27707 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Rb2Co2Cl6
_chemical_formula_sum "Rb2 Co2 Cl6"
_cell_length_a 7.01762171
_cell_length_b 7.01762004
_cell_length_c 5.94230516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998953
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Rb2Co2Cl6Rb2Co2Cl6Rb2Co2Cl6Rb2Co2Cl6Rb2Co2Cl6Rb2Co2Cl6
_chemical_formula_sum "Rb12 Co12 Cl36"
_cell_length_a 21.05286513
_cell_length_b 14.03524008
_cell_length_c 5.94230516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 00a81185-4ff9-44e8-86e8-072a44c21eca | mp-1196261 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Sb8Xe4F38
_chemical_formula_sum "Sb8 Xe4 F38"
_cell_length_a 8.929818
_cell_length_b 10.95166
_cell_length_c 15.92144232
_cell_angle_alpha 50.14639231
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb8Xe4F38Sb8Xe4F38Sb8Xe4F38Sb8Xe4F38Sb8Xe4F38Sb8Xe4F38
_chemical_formula_sum "Sb48 Xe24 F228"
_cell_length_a 8.929818
_cell_length_b 21.90332
_cell_length_c 47.764326960000005
_cell_angle_alpha 50.14639231000001
_cell_angle_beta 90.0
_... |
SuperCellAction | 2da38393-f4c2-46b5-b4ce-d7a15974b43f | mp-559062 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural K4P4O8F8
_chemical_formula_sum "K4 P4 O8 F8"
_cell_length_a 6.16242579
_cell_length_b 7.53508156
_cell_length_c 7.89272309
_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 K4P4O8F8K4P4O8F8K4P4O8F8K4P4O8F8K4P4O8F8K4P4O8F8K4P4O8F8K4P4O8F8
_chemical_formula_sum "K32 P32 O64 F64"
_cell_length_a 6.16242579
_cell_length_b 30.14032624
_cell_length_c 15.78544618
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 405c1710-b63a-4013-ad49-668d66268040 | mp-1223827 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... | data_image0
_chemical_formula_structural K2NaNbO2F4K2NaNbO2F4K2NaNbO2F4K2NaNbO2F4K2NaNbO2F4K2NaNbO2F4
_chemical_formula_sum "K12 Na6 Nb6 O12 F24"
_cell_length_a 18.25121274
_cell_length_b 12.16747516
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 11... |
SuperCellAction | 1b938365-cab6-49f4-82bb-6f185b87b348 | mp-1043245 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Co2Ge4O12
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_spa... | data_image0
_chemical_formula_structural Co2Ge4O12Co2Ge4O12Co2Ge4O12Co2Ge4O12Co2Ge4O12Co2Ge4O12Co2Ge4O12Co2Ge4O12
_chemical_formula_sum "Co16 Ge32 O96"
_cell_length_a 13.34335008
_cell_length_b 6.671675039999999
_cell_length_c 22.211458360000005
_cell_angle_alpha 77.01375399
_cel... |
SuperCellAction | 8eb5e2dd-8511-45f7-b465-e084e7414e51 | mp-1043973 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Zn2W8O18
_chemical_formula_sum "Zn2 W8 O18"
_cell_length_a 9.78948
_cell_length_b 9.78948
_cell_length_c 3.87883
_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 Zn2W8O18Zn2W8O18Zn2W8O18Zn2W8O18Zn2W8O18Zn2W8O18
_chemical_formula_sum "Zn12 W48 O108"
_cell_length_a 29.36844
_cell_length_b 19.57896
_cell_length_c 3.87883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SuperCellAction | c48989ed-a8a4-4942-bb05-a7fc99c7ae9f | mp-15203 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6Li12Ca24W8N32O6Li12Ca24W8N32O6Li12Ca24W8N32O6
_chemical_formula_sum "Li48 Ca96 W32 N128 O24"
_cell_length_a 22.81524136
_cell_length_b 11.407620390000002
_cell_length_c 22.815242
_cell_angle_alpha 109.47121994000001
_cell_an... |
SuperCellAction | 7ca35ed2-4015-4463-958b-e3ed4d4fc9a7 | mp-779456 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 Y8Re4O20Y8Re4O20Y8Re4O20
_chemical_formula_sum "Y24 Re12 O60"
_cell_length_a 8.49838607
_cell_length_b 25.49515821
_cell_length_c 5.6294274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | 3850e85c-9bb5-44cc-a074-5d153aea9c83 | mp-752818 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Li4Co7O3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_space_gro... | data_image0
_chemical_formula_structural Li4Co7O3F13Li4Co7O3F13Li4Co7O3F13Li4Co7O3F13Li4Co7O3F13Li4Co7O3F13
_chemical_formula_sum "Li24 Co42 O18 F78"
_cell_length_a 18.51556575
_cell_length_b 6.09317751
_cell_length_c 21.07967116
_cell_angle_alpha 105.48486365
_cell_angle_beta ... |
SuperCellAction | 1bd131c6-9ce4-4536-ac28-5f1c937e1b88 | mp-1200075 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523140... | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2H26Pt2C6N6Cl4O2H26Pt2C6N6Cl4O2H26Pt2C6N6Cl4O2
_chemical_formula_sum "H104 Pt8 C24 N24 Cl16 O8"
_cell_length_a 12.84604
_cell_length_b 14.49286094
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_b... |
SuperCellAction | ef99b626-bf8f-4b3d-86ea-5f94c5281e46 | mp-1178412 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Cr2Co2P4O16
_chemical_formula_sum "Cr2 Co2 P4 O16"
_cell_length_a 5.802582
_cell_length_b 4.791475
_cell_length_c 9.920894130000002
_cell_angle_alpha 89.89668048
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Cr2Co2P4O16Cr2Co2P4O16Cr2Co2P4O16Cr2Co2P4O16Cr2Co2P4O16Cr2Co2P4O16Cr2Co2P4O16Cr2Co2P4O16
_chemical_formula_sum "Cr16 Co16 P32 O128"
_cell_length_a 11.605164
_cell_length_b 19.1659
_cell_length_c 9.920894130000002
_cell_angle_alpha 89.89668... |
SuperCellAction | 9db86e32-b545-4348-8c60-c40e7301f09f | mp-581602 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Zn12S12
_chemical_formula_sum "Zn12 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.845026259999922
_s... | data_image0
_chemical_formula_structural Zn12S12Zn12S12Zn12S12Zn12S12Zn12S12Zn12S12
_chemical_formula_sum "Zn72 S72"
_cell_length_a 37.83798865
_cell_length_b 113.51396589000001
_cell_length_c 75.67597864
_cell_angle_alpha 5.845026880000007
_cell_angle_beta 5.8450271900000885... |
SuperCellAction | d63cfa29-f9b6-420d-a3ea-f26a92a35ab3 | mp-756136 | Create a supercell with the size 4 by 2 by 1. | 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 Ca4Pb4I16Ca4Pb4I16Ca4Pb4I16Ca4Pb4I16Ca4Pb4I16Ca4Pb4I16Ca4Pb4I16Ca4Pb4I16
_chemical_formula_sum "Ca32 Pb32 I128"
_cell_length_a 31.314448
_cell_length_b 19.042154
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta ... |
SuperCellAction | 8aa068df-e008-4148-ac48-459d735db120 | mp-1216973 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Tm14Mg6Ge16Tm14Mg6Ge16Tm14Mg6Ge16Tm14Mg6Ge16Tm14Mg6Ge16Tm14Mg6Ge16
_chemical_formula_sum "Tm84 Mg36 Ge96"
_cell_length_a 21.266658
_cell_length_b 7.702611
_cell_length_c 28.65400606
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_... |
SuperCellAction | 451fef93-c227-4f31-9b74-61723421bb22 | mp-1195679 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs4Th2Si12O30Cs4Th2Si12O30Cs4Th2Si12O30Cs4Th2Si12O30
_chemical_formula_sum "Cs16 Th8 Si48 O120"
_cell_length_a 14.62950584
_cell_length_b 18.05807598
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | d96f2ab4-6f19-4c3f-84ef-b8d988f79e7b | mp-2232113 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... | data_image0
_chemical_formula_structural MgFe4Hg2O8MgFe4Hg2O8MgFe4Hg2O8
_chemical_formula_sum "Mg3 Fe12 Hg6 O24"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 19.67215239
_cell_angle_alpha 58.852054739999986
_cell_angle_beta 61.64590332
_cell_angle... |
SuperCellAction | eb803e02-d0d0-4d50-b0f3-e80f92c571ae | mp-17235 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Sm8Si8O28
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_name_H... | data_image0
_chemical_formula_structural Sm8Si8O28Sm8Si8O28Sm8Si8O28Sm8Si8O28
_chemical_formula_sum "Sm32 Si32 O112"
_cell_length_a 21.6109898
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92... |
SuperCellAction | e5423bd5-8308-40c3-9ece-8ac1f726ef17 | mp-1247179 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Mn12In32N36
_chemical_formula_sum "Mn12 In32 N36"
_cell_length_a 7.14848932
_cell_length_b 11.41523106
_cell_length_c 18.08871383
_cell_angle_alpha 90.0
_cell_angle_beta 112.29965589
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn12In32N36Mn12In32N36Mn12In32N36Mn12In32N36Mn12In32N36Mn12In32N36
_chemical_formula_sum "Mn72 In192 N216"
_cell_length_a 21.445467960000002
_cell_length_b 22.83046212
_cell_length_c 18.08871383
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | d50bf476-16a0-4b31-84cd-9612741fc326 | mp-721246 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Sr12Co2C4N14
_chemical_formula_sum "Sr12 Co2 C4 N14"
_cell_length_a 3.869881
_cell_length_b 9.893229
_cell_length_c 14.690993
_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 Sr12Co2C4N14Sr12Co2C4N14Sr12Co2C4N14Sr12Co2C4N14Sr12Co2C4N14Sr12Co2C4N14
_chemical_formula_sum "Sr72 Co12 C24 N84"
_cell_length_a 7.739762
_cell_length_b 9.893229
_cell_length_c 44.072979000000004
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | b3e5d0a3-21bf-4c2a-94ee-69483ad44ac7 | mp-1174755 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14
_chemical_formula_sum "Li64 Mn16 Co32 O112"
_cell_length_a 3.01693
_cell_length_b 31.131978519999997
_cell_length_c 22.26288102
_cell_angle_alpha... |
SuperCellAction | a90c58fa-b56d-4da9-9ad7-6173add57b37 | mp-1196633 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural HgH36C14S8O12F6
_chemical_formula_sum "Hg1 H36 C14 S8 O12 F6"
_cell_length_a 7.019827
_cell_length_b 12.53952735
_cell_length_c 12.54751375
_cell_angle_alpha 60.05261260999998
_cell_angle_beta 89.9974794
_cell_angle_gamma 89.986434
... | data_image0
_chemical_formula_structural HgH36C14S8O12F6HgH36C14S8O12F6
_chemical_formula_sum "Hg2 H72 C28 S16 O24 F12"
_cell_length_a 7.019827
_cell_length_b 12.53952735
_cell_length_c 25.0950275
_cell_angle_alpha 60.05261260999998
_cell_angle_beta 89.9974794
_cell_angle_gam... |
SuperCellAction | 05a03b1f-cae7-49b8-8c67-29744c4582cf | mp-1199158 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Tm22Sn20Tm22Sn20Tm22Sn20Tm22Sn20Tm22Sn20Tm22Sn20Tm22Sn20Tm22Sn20
_chemical_formula_sum "Tm176 Sn160"
_cell_length_a 45.81922828
_cell_length_b 22.9095987
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta ... |
SuperCellAction | 80fb7101-ba67-4441-aee3-644b0f5b533a | mp-1225690 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Er2Fe6Co6P7
_chemical_formula_sum "Er2 Fe6 Co6 P7"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er2Fe6Co6P7Er2Fe6Co6P7Er2Fe6Co6P7Er2Fe6Co6P7Er2Fe6Co6P7Er2Fe6Co6P7
_chemical_formula_sum "Er12 Fe36 Co36 P42"
_cell_length_a 7.214614
_cell_length_b 26.947271999999998
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_bet... |
SuperCellAction | c07020c2-1c79-4c2f-afbb-4c202d4740cd | mp-698063 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural Na8P8H8O28Na8P8H8O28Na8P8H8O28Na8P8H8O28Na8P8H8O28Na8P8H8O28
_chemical_formula_sum "Na48 P48 H48 O168"
_cell_length_a 30.43831808
_cell_length_b 42.95886954
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11... |
SuperCellAction | a03f38f6-1ab5-42c4-9f7a-2f16c3dff226 | mp-1245147 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr16Fe16O48Cr16Fe16O48
_chemical_formula_sum "Cr32 Fe32 O96"
_cell_length_a 20.0425216
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89... |
SuperCellAction | 7d5e3557-9078-4246-8782-e6dfdd273016 | mp-1192677 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI13Cs4Pr6OsI13Cs4Pr6OsI13Cs4Pr6OsI13Cs4Pr6OsI13Cs4Pr6OsI13Cs4Pr6OsI13Cs4Pr6OsI13
_chemical_formula_sum "Cs32 Pr48 Os8 I104"
_cell_length_a 20.30300788
_cell_length_b 20.303007879999996
_cell_length_c 25.12524822
_cell_angle_alpha 6... |
SuperCellAction | 23f25a96-19ee-41a3-8ee9-b5f84d38f327 | mp-2230889 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5FeO12MgV5FeO12MgV5FeO12MgV5FeO12
_chemical_formula_sum "Mg4 V20 Fe4 O48"
_cell_length_a 13.92324522
_cell_length_b 6.89094991
_cell_length_c 11.55185148
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma ... |
SuperCellAction | af644ccb-b826-46d1-acd5-2252861d03e9 | mp-1034441 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_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 Mg14CrSnO16Mg14CrSnO16Mg14CrSnO16Mg14CrSnO16Mg14CrSnO16Mg14CrSnO16
_chemical_formula_sum "Mg84 Cr6 Sn6 O96"
_cell_length_a 26.309176200000003
_cell_length_b 17.32214266
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 8bf5a1d4-9d88-4792-88d7-7befdf90014d | mp-1104301 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... | data_image0
_chemical_formula_structural K3Pb2Cl8K3Pb2Cl8K3Pb2Cl8K3Pb2Cl8K3Pb2Cl8K3Pb2Cl8K3Pb2Cl8K3Pb2Cl8
_chemical_formula_sum "K24 Pb16 Cl64"
_cell_length_a 8.690223
_cell_length_b 17.99779492
_cell_length_c 36.07682596
_cell_angle_alpha 61.515895809999996
_cell_angle_beta ... |
SuperCellAction | a1a5af88-737a-4ea8-a092-c5ace5637a6c | mp-1176375 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Na6Ni4P4C4O28
_chemical_formula_sum "Na6 Ni4 P4 C4 O28"
_cell_length_a 8.310674
_cell_length_b 8.318246190000002
_cell_length_c 10.22145403
_cell_angle_alpha 107.61280397
_cell_angle_beta 107.54584119999998
_cell_angle_gamma 102.983... | data_image0
_chemical_formula_structural Na6Ni4P4C4O28Na6Ni4P4C4O28Na6Ni4P4C4O28Na6Ni4P4C4O28
_chemical_formula_sum "Na24 Ni16 P16 C16 O112"
_cell_length_a 33.242696
_cell_length_b 8.318246190000002
_cell_length_c 10.22145403
_cell_angle_alpha 107.61280397
_cell_angle_beta 10... |
SuperCellAction | 63a057af-14c5-4583-86b8-6b14f55a6b32 | mp-642735 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H8Pt2Rb4H8Pt2Rb4H8Pt2Rb4H8Pt2Rb4H8Pt2Rb4H8Pt2
_chemical_formula_sum "Rb24 H48 Pt12"
_cell_length_a 5.8618533
_cell_length_b 11.7237066
_cell_length_c 25.21326414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | 41111fd8-094b-4c69-a603-c58d2c0d8b19 | mp-31180 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Dy2Al8Ni2
_chemical_formula_sum "Dy2 Al8 Ni2"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Dy2Al8Ni2Dy2Al8Ni2Dy2Al8Ni2Dy2Al8Ni2
_chemical_formula_sum "Dy8 Al32 Ni8"
_cell_length_a 4.04611252
_cell_length_b 26.19830488
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_s... |
SuperCellAction | 97920888-c1a4-4ba1-9975-e03e31e599de | mp-1406703 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Li8Co2O6F2
_chemical_formula_sum "Li8 Co2 O6 F2"
_cell_length_a 5.225015
_cell_length_b 5.34709061
_cell_length_c 7.7588422800000005
_cell_angle_alpha 109.9820153
_cell_angle_beta 82.91234078
_cell_angle_gamma 113.64964108
_space_g... | data_image0
_chemical_formula_structural Li8Co2O6F2Li8Co2O6F2Li8Co2O6F2Li8Co2O6F2Li8Co2O6F2Li8Co2O6F2Li8Co2O6F2Li8Co2O6F2
_chemical_formula_sum "Li64 Co16 O48 F16"
_cell_length_a 5.225015
_cell_length_b 21.38836244
_cell_length_c 15.517684560000001
_cell_angle_alpha 109.9820153
_... |
SuperCellAction | d85b8ede-d265-4dce-9009-0976ca97a60a | mp-849398 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Li20Mn8P12O48
_chemical_formula_sum "Li20 Mn8 P12 O48"
_cell_length_a 8.88905
_cell_length_b 8.731993
_cell_length_c 15.194232
_cell_angle_alpha 55.958151120000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li20Mn8P12O48Li20Mn8P12O48Li20Mn8P12O48Li20Mn8P12O48Li20Mn8P12O48Li20Mn8P12O48Li20Mn8P12O48Li20Mn8P12O48
_chemical_formula_sum "Li160 Mn64 P96 O384"
_cell_length_a 8.88905
_cell_length_b 34.927972
_cell_length_c 30.388464
_cell_angle_alpha ... |
SuperCellAction | 6dd84b71-9d72-4e99-9a13-bf2df6c118da | mp-1046244 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Sr2Bi2P4O16
_chemical_formula_sum "Sr2 Bi2 P4 O16"
_cell_length_a 5.517599
_cell_length_b 7.22489438
_cell_length_c 9.74518414
_cell_angle_alpha 106.94443890999999
_cell_angle_beta 97.78745957
_cell_angle_gamma 97.70727401
_space_g... | data_image0
_chemical_formula_structural Sr2Bi2P4O16Sr2Bi2P4O16Sr2Bi2P4O16
_chemical_formula_sum "Sr6 Bi6 P12 O48"
_cell_length_a 5.517599
_cell_length_b 7.22489438
_cell_length_c 29.23555242
_cell_angle_alpha 106.94443890999999
_cell_angle_beta 97.78745957
_cell_angle_gamma ... |
SuperCellAction | f43c8ce8-fa61-49d0-95f8-91874234cb42 | mp-1305999 | Create a supercell with the size 2*1*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 Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8
_chemical_formula_sum "Li12 Ti4 Ni16 O32"
_cell_length_a 11.79561534
_cell_length_b 5.90359853
_cell_length_c 11.83900294
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_... |
SuperCellAction | 718958a9-fa1d-4012-9027-4819f8c0fe30 | mp-1228296 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Cs10Re12S16Cl14
_chemical_formula_sum "Cs10 Re12 S16 Cl14"
_cell_length_a 19.27988906
_cell_length_b 19.27988906
_cell_length_c 19.27988893
_cell_angle_alpha 30.276571750000013
_cell_angle_beta 30.276571750000013
_cell_angle_gamma 3... | data_image0
_chemical_formula_structural Cs10Re12S16Cl14Cs10Re12S16Cl14Cs10Re12S16Cl14
_chemical_formula_sum "Cs30 Re36 S48 Cl42"
_cell_length_a 57.83966717999999
_cell_length_b 19.27988906
_cell_length_c 19.27988893
_cell_angle_alpha 30.276571750000013
_cell_angle_beta 30.27... |
SuperCellAction | 91c0377e-ebde-4307-8498-003f95f40ce1 | mp-1030404 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Te4Mo3WSe2S2
_chemical_formula_sum "Te4 Mo3 W1 Se2 S2"
_cell_length_a 3.4009808
_cell_length_b 3.4009808000000006
_cell_length_c 38.652358
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001554000002
_space_gro... | data_image0
_chemical_formula_structural Te4Mo3WSe2S2Te4Mo3WSe2S2Te4Mo3WSe2S2Te4Mo3WSe2S2Te4Mo3WSe2S2Te4Mo3WSe2S2Te4Mo3WSe2S2Te4Mo3WSe2S2
_chemical_formula_sum "Te32 Mo24 W8 Se16 S16"
_cell_length_a 6.8019616
_cell_length_b 13.603923200000002
_cell_length_c 38.652358
_cell_angle_alp... |
SuperCellAction | f66efa7d-024e-4350-913c-799ab5ac8618 | mp-752461 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.794192
_cell_length_b 5.7488937899999994
_cell_length_c 7.907657610000001
_cell_angle_alpha 84.66724938999998
_cell_angle_beta 87.05711292
_cell_angle_gamma 84.78686068
_sp... | data_image0
_chemical_formula_structural Mn6O5F7Mn6O5F7Mn6O5F7Mn6O5F7Mn6O5F7Mn6O5F7
_chemical_formula_sum "Mn36 O30 F42"
_cell_length_a 4.794192
_cell_length_b 11.497787579999999
_cell_length_c 23.722972830000007
_cell_angle_alpha 84.66724938999998
_cell_angle_beta 87.0571129... |
SuperCellAction | db03c7e7-962e-40bc-9f32-865deb799a98 | mp-756993 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14Li4Co2P4O14Li4Co2P4O14Li4Co2P4O14
_chemical_formula_sum "Li16 Co8 P16 O56"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 30.742212160000005
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cel... |
SuperCellAction | 1b8b7f8b-165b-4c12-9e8e-236deeec8bf8 | mp-1194895 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Th8Te12Mo4O52Th8Te12Mo4O52Th8Te12Mo4O52Th8Te12Mo4O52Th8Te12Mo4O52Th8Te12Mo4O52Th8Te12Mo4O52Th8Te12Mo4O52
_chemical_formula_sum "Th64 Te96 Mo32 O416"
_cell_length_a 7.191032
_cell_length_b 23.01442
_cell_length_c 56.90519024
_cell_angle_alpha ... |
SuperCellAction | 696ee0d8-4ad7-4264-804c-b0002278b1a8 | mp-1198355 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B22O44Sr4B22O44Sr4B22O44Sr4B22O44Sr4B22O44Sr4B22O44
_chemical_formula_sum "Sr24 B132 O264"
_cell_length_a 62.859324
_cell_length_b 6.71541
_cell_length_c 13.49388214
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 1483d045-97f4-4030-a3e7-16e819cf7b75 | mp-616196 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... | data_image0
_chemical_formula_structural Os2C6I4O6Os2C6I4O6Os2C6I4O6Os2C6I4O6Os2C6I4O6Os2C6I4O6
_chemical_formula_sum "Os12 C36 I24 O36"
_cell_length_a 13.64768964
_cell_length_b 20.471534459999997
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91... |
SuperCellAction | fa0a95f1-488a-4b8a-9f4e-2c6845bf0e40 | mp-705637 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... | data_image0
_chemical_formula_structural Ni16P16O64Ni16P16O64Ni16P16O64Ni16P16O64
_chemical_formula_sum "Ni64 P64 O256"
_cell_length_a 10.05901078
_cell_length_b 20.11802156
_cell_length_c 34.65612888
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamm... |
SuperCellAction | bcc5aed9-a7f3-4f22-836c-01645a81ba2b | mp-19140 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K12Mn4O16K12Mn4O16K12Mn4O16K12Mn4O16K12Mn4O16K12Mn4O16
_chemical_formula_sum "K72 Mn24 O96"
_cell_length_a 19.495973579999998
_cell_length_b 10.836143570000003
_cell_length_c 18.987444079999996
_cell_angle_alpha 67.4691507
_cell_angle_beta... |
SuperCellAction | 09e5274a-4ff6-4264-a22a-e631439f93a2 | mp-1111056 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Na2LiAlF6
_chemical_formula_sum "Na2 Li1 Al1 F6"
_cell_length_a 5.41110777
_cell_length_b 5.41110777
_cell_length_c 5.41110777
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiAlF6Na2LiAlF6Na2LiAlF6Na2LiAlF6Na2LiAlF6Na2LiAlF6Na2LiAlF6Na2LiAlF6
_chemical_formula_sum "Na16 Li8 Al8 F48"
_cell_length_a 10.82221554
_cell_length_b 5.41110777
_cell_length_c 21.64443108
_cell_angle_alpha 59.99999999999999
_cell_ang... |
SuperCellAction | 9d8a636b-802b-4f0b-9076-675c9e4a4b63 | mp-777888 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_group_n... | data_image0
_chemical_formula_structural Li4Fe4F12Li4Fe4F12Li4Fe4F12Li4Fe4F12Li4Fe4F12Li4Fe4F12Li4Fe4F12Li4Fe4F12
_chemical_formula_sum "Li32 Fe32 F96"
_cell_length_a 12.210288
_cell_length_b 6.11173082
_cell_length_c 24.50704764
_cell_angle_alpha 90.09645642
_cell_angle_beta ... |
SuperCellAction | 136ffb69-6917-457f-b631-ce422333f322 | mp-1195020 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4Tl4P8Se24Pr4Tl4P8Se24Pr4Tl4P8Se24Pr4Tl4P8Se24
_chemical_formula_sum "Pr16 Tl16 P32 Se96"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 50.145736
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | cfdb0914-9109-4a57-abfe-f694b5596688 | mp-768505 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... | data_image0
_chemical_formula_structural Lu6Ga6O18Lu6Ga6O18Lu6Ga6O18Lu6Ga6O18Lu6Ga6O18Lu6Ga6O18
_chemical_formula_sum "Lu36 Ga36 O108"
_cell_length_a 11.80523488
_cell_length_b 17.70784755
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.999... |
SuperCellAction | d72f6bf1-aa3d-4f5b-95dd-dc373879b841 | mp-1235973 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12LiY4Ag4O12LiY4Ag4O12LiY4Ag4O12
_chemical_formula_sum "Li4 Y16 Ag16 O48"
_cell_length_a 6.17700983
_cell_length_b 14.418229260000002
_cell_length_c 13.929724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72... |
SuperCellAction | 4bf84f6f-58fe-4e56-aac3-1abefca83ed6 | mp-1102412 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Cr4O8
_chemical_formula_sum "Cr4 O8"
_cell_length_a 4.26593859
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Cr4O8Cr4O8Cr4O8
_chemical_formula_sum "Cr12 O24"
_cell_length_a 12.79781577
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name... |
SuperCellAction | ad101f59-14ff-41d9-94ff-f71363b8f7b4 | mp-1095574 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 Ce4Ga4Ag4Ce4Ga4Ag4Ce4Ga4Ag4Ce4Ga4Ag4
_chemical_formula_sum "Ce16 Ga16 Ag16"
_cell_length_a 4.682808
_cell_length_b 29.905204
_cell_length_c 7.790775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 44c5a61f-de8e-4843-8223-c7789545e904 | mp-1023289 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Mg12Al2W2
_chemical_formula_sum "Mg12 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_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 Mg12Al2W2Mg12Al2W2Mg12Al2W2Mg12Al2W2Mg12Al2W2Mg12Al2W2
_chemical_formula_sum "Mg72 Al12 W12"
_cell_length_a 14.885373
_cell_length_b 5.848886
_cell_length_c 21.654678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | fdf1b645-00fd-46f2-a5a5-412bee71fbdc | mp-1021306 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Li2Mg12B2
_chemical_formula_sum "Li2 Mg12 B2"
_cell_length_a 4.576494
_cell_length_b 6.473941
_cell_length_c 10.486589
_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 Li2Mg12B2Li2Mg12B2Li2Mg12B2Li2Mg12B2Li2Mg12B2Li2Mg12B2Li2Mg12B2Li2Mg12B2
_chemical_formula_sum "Li16 Mg96 B16"
_cell_length_a 9.152988
_cell_length_b 12.947882
_cell_length_c 20.973178
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | add38f7f-a512-4d97-a3da-2b3053ebf870 | mp-530600 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Li14Ti21O48
_chemical_formula_sum "Li14 Ti21 O48"
_cell_length_a 5.97534046
_cell_length_b 5.975340460000001
_cell_length_c 29.236752079999995
_cell_angle_alpha 89.9418527
_cell_angle_beta 89.9418527
_cell_angle_gamma 60.01494276
_... | data_image0
_chemical_formula_structural Li14Ti21O48Li14Ti21O48Li14Ti21O48
_chemical_formula_sum "Li42 Ti63 O144"
_cell_length_a 17.92602138
_cell_length_b 5.975340460000001
_cell_length_c 29.236752079999995
_cell_angle_alpha 89.9418527
_cell_angle_beta 89.9418527
_cell_angle... |
SuperCellAction | 1bba6198-9506-47fe-a509-0e3ec41ebe8c | mp-637030 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... | data_image0
_chemical_formula_structural Gd2Al6Si4PtGd2Al6Si4PtGd2Al6Si4PtGd2Al6Si4PtGd2Al6Si4PtGd2Al6Si4PtGd2Al6Si4PtGd2Al6Si4Pt
_chemical_formula_sum "Gd16 Al48 Si32 Pt8"
_cell_length_a 17.18022257
_cell_length_b 68.72089028
_cell_length_c 34.36044504
_cell_angle_alpha 13.91258... |
SuperCellAction | bdef1dff-c7a9-4388-8e80-fc702693f308 | mp-1078353 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Mn2Pb4W2O12
_chemical_formula_sum "Mn2 Pb4 W2 O12"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08865650... | data_image0
_chemical_formula_structural Mn2Pb4W2O12Mn2Pb4W2O12Mn2Pb4W2O12Mn2Pb4W2O12Mn2Pb4W2O12Mn2Pb4W2O12
_chemical_formula_sum "Mn12 Pb24 W12 O72"
_cell_length_a 11.6136425
_cell_length_b 5.809345270000001
_cell_length_c 30.16397022
_cell_angle_alpha 73.28351843
_cell_angle_be... |
SuperCellAction | 787d990f-03fa-4137-9e79-be1e91982e88 | mp-20817 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Ge4Pt4Se4
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_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 Ge4Pt4Se4Ge4Pt4Se4Ge4Pt4Se4Ge4Pt4Se4Ge4Pt4Se4Ge4Pt4Se4
_chemical_formula_sum "Ge24 Pt24 Se24"
_cell_length_a 6.02894882
_cell_length_b 18.15808497
_cell_length_c 12.22103978
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 4918479b-c02b-4a0f-9284-17f57a392310 | mp-771918 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Li16Mn8P8O32F8
_chemical_formula_sum "Li16 Mn8 P8 O32 F8"
_cell_length_a 5.140871
_cell_length_b 13.176346
_cell_length_c 13.18498818
_cell_angle_alpha 60.45596281000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Li16Mn8P8O32F8Li16Mn8P8O32F8Li16Mn8P8O32F8Li16Mn8P8O32F8Li16Mn8P8O32F8Li16Mn8P8O32F8
_chemical_formula_sum "Li96 Mn48 P48 O192 F48"
_cell_length_a 15.422612999999998
_cell_length_b 26.352692
_cell_length_c 13.18498818
_cell_angle_alpha 60.... |
SuperCellAction | 6f5d40ce-5b79-447c-90e5-304f4c7274bd | mp-570684 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zr4Os8Zr4Os8Zr4Os8Zr4Os8Zr4Os8Zr4Os8
_chemical_formula_sum "Zr24 Os48"
_cell_length_a 15.6262377
_cell_length_b 10.41749482
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
... |
SuperCellAction | 0822ae6e-4aea-47db-ab47-57f5399817e1 | mp-1198663 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 K8Li4H24N12K8Li4H24N12K8Li4H24N12K8Li4H24N12
_chemical_formula_sum "K32 Li16 H96 N48"
_cell_length_a 7.004138
_cell_length_b 28.016552
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
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