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 | f0b42bd0-bae4-4f88-b8ae-6c258c43ee08 | mp-676077 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Ce3Nd2O9
_chemical_formula_sum "Ce3 Nd2 O9"
_cell_length_a 14.21633461
_cell_length_b 14.21633461
_cell_length_c 14.21633461
_cell_angle_alpha 164.23017156999998
_cell_angle_beta 164.23017157000004
_cell_angle_gamma 22.3734551900000... | data_image0
_chemical_formula_structural Ce3Nd2O9Ce3Nd2O9Ce3Nd2O9
_chemical_formula_sum "Ce9 Nd6 O27"
_cell_length_a 14.21633461
_cell_length_b 14.21633461
_cell_length_c 42.64900383
_cell_angle_alpha 164.23017157000004
_cell_angle_beta 164.2301715700001
_cell_angle_gamma ... |
SuperCellAction | 23acf992-05c0-4ff1-9847-16e69ea2b937 | mp-1026730 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural LaMg14Bi
_chemical_formula_sum "La1 Mg14 Bi1"
_cell_length_a 6.54117246
_cell_length_b 6.5411719
_cell_length_c 10.75398076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMg14BiLaMg14BiLaMg14BiLaMg14BiLaMg14BiLaMg14BiLaMg14BiLaMg14Bi
_chemical_formula_sum "La8 Mg112 Bi8"
_cell_length_a 6.54117246
_cell_length_b 13.0823438
_cell_length_c 43.01592304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 8c2bef95-7e64-4ae0-a8aa-32d51642cc0e | mp-1192912 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural La12Ru4Br12
_chemical_formula_sum "La12 Ru4 Br12"
_cell_length_a 10.57664528
_cell_length_b 10.576645279999997
_cell_length_c 10.57664528
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural La12Ru4Br12La12Ru4Br12
_chemical_formula_sum "La24 Ru8 Br24"
_cell_length_a 10.57664528
_cell_length_b 10.576645279999997
_cell_length_c 21.15329056
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.... |
SuperCellAction | 2add5c02-44cb-4dac-bab1-6e069e89cb5f | mp-774335 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Sn16P16O56
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_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 Sn16P16O56Sn16P16O56Sn16P16O56Sn16P16O56Sn16P16O56Sn16P16O56
_chemical_formula_sum "Sn96 P96 O336"
_cell_length_a 14.062546
_cell_length_b 21.093819
_cell_length_c 25.553671
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 02cba43c-0c98-4ffc-9d14-f3ba0874a548 | mp-1026412 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14SnBaMg14SnBaMg14SnBaMg14Sn
_chemical_formula_sum "Ba4 Mg56 Sn4"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 43.04314536
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
... |
SuperCellAction | 5d51e39a-d4ab-4f90-bbef-65c3c6cb875c | mp-637030 | Create a supercell with the size 1x1x3. | 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 Gd2Al6Si4PtGd2Al6Si4PtGd2Al6Si4Pt
_chemical_formula_sum "Gd6 Al18 Si12 Pt3"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 51.54066756
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell... |
SuperCellAction | d2b74f4c-7f4d-4337-8a67-469147fd863b | mp-699405 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.428660... | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca48 Mg40 Al16 Si88 O288"
_cell_length_a 6.650531
_cell_length_b 13.309525020000002
_cell_length... |
SuperCellAction | 4ea010d6-f18c-4a0e-8e14-13a689948916 | mp-25954 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P6O24Co6P6O24Co6P6O24Co6P6O24Co6P6O24Co6P6O24
_chemical_formula_sum "Co36 P36 O144"
_cell_length_a 22.32434397
_cell_length_b 7.441447990000001
_cell_length_c 18.745328
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | aa3ba174-8c90-49c1-a3c7-d55b050e097c | mp-772524 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Li2Ti4P6O24
_chemical_formula_sum "Li2 Ti4 P6 O24"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789713700... | data_image0
_chemical_formula_structural Li2Ti4P6O24Li2Ti4P6O24Li2Ti4P6O24Li2Ti4P6O24Li2Ti4P6O24Li2Ti4P6O24Li2Ti4P6O24Li2Ti4P6O24
_chemical_formula_sum "Li16 Ti32 P48 O192"
_cell_length_a 8.330953
_cell_length_b 33.52672804
_cell_length_c 17.999116839999996
_cell_angle_alpha 90.2... |
SuperCellAction | cf2d2346-29dd-4963-8f34-c48235bf5e24 | mp-2218579 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Na2MgCu4O6
_chemical_formula_sum "Na2 Mg1 Cu4 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2MgCu4O6Na2MgCu4O6Na2MgCu4O6Na2MgCu4O6Na2MgCu4O6Na2MgCu4O6
_chemical_formula_sum "Na12 Mg6 Cu24 O36"
_cell_length_a 8.55995958
_cell_length_b 28.998015990000003
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.783... |
SuperCellAction | ca469cbf-4a78-41bc-923c-7109984b1108 | mp-1218673 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural Sr4Zn51Sr4Zn51Sr4Zn51Sr4Zn51Sr4Zn51Sr4Zn51Sr4Zn51Sr4Zn51
_chemical_formula_sum "Sr32 Zn408"
_cell_length_a 14.96096755
_cell_length_b 29.921935100000002
_cell_length_c 59.84387024000001
_cell_angle_alpha 33.90467868000001
_cell_angle_beta ... |
SuperCellAction | aac8914d-fc66-4547-a50a-672aea811020 | mp-557900 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36Sb4C4S4Cl8F36
_chemical_formula_sum "Sb32 C32 S32 Cl64 F288"
_cell_length_a 19.615564
_cell_length_b 8.027716
_cell_length_c 50.999469319999996
_cell_a... |
SuperCellAction | 4fe39942-c5d8-413f-bb9e-f94e5bb4c348 | mp-510041 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Hf8Ni8Sn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 Hf8Ni8Sn4Hf8Ni8Sn4
_chemical_formula_sum "Hf16 Ni16 Sn8"
_cell_length_a 14.137662
_cell_length_b 7.068831
_cell_length_c 6.786952
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SuperCellAction | 782a72a9-8b06-4d2f-9ba2-83ac86351e19 | mp-1043418 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Co8O12
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Co8O12Co8O12Co8O12Co8O12Co8O12Co8O12
_chemical_formula_sum "Co48 O72"
_cell_length_a 5.15061024
_cell_length_b 10.301220479999998
_cell_length_c 45.649098
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_... |
SuperCellAction | ef352dab-9f74-44d2-b1cc-aa30ef760984 | mp-2217675 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural MgMn2Al2O6
_chemical_formula_sum "Mg1 Mn2 Al2 O6"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_space... | data_image0
_chemical_formula_structural MgMn2Al2O6MgMn2Al2O6MgMn2Al2O6
_chemical_formula_sum "Mg3 Mn6 Al6 O18"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 16.62151593
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.... |
SuperCellAction | 64ecdf5b-de2e-48af-8934-4a4f80d9079f | mp-1190964 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Te5Pd20
_chemical_formula_sum "Te5 Pd20"
_cell_length_a 8.84438838
_cell_length_b 8.84438838
_cell_length_c 8.84438838
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Te5Pd20Te5Pd20Te5Pd20Te5Pd20Te5Pd20Te5Pd20Te5Pd20Te5Pd20
_chemical_formula_sum "Te40 Pd160"
_cell_length_a 17.68877676
_cell_length_b 17.68877676
_cell_length_c 17.68877676
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999... |
SuperCellAction | 20616d30-6b99-4c09-9445-27e72f966e7c | mp-754936 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Dy2Al2O6
_chemical_formula_sum "Dy2 Al2 O6"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-... | data_image0
_chemical_formula_structural Dy2Al2O6Dy2Al2O6Dy2Al2O6Dy2Al2O6
_chemical_formula_sum "Dy8 Al8 O24"
_cell_length_a 5.23705629
_cell_length_b 20.94822516
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.9195... |
SuperCellAction | 88d3e7b0-4a79-4485-b9cf-47d72780981e | mp-531064 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 K8Mo24Br56K8Mo24Br56K8Mo24Br56K8Mo24Br56K8Mo24Br56K8Mo24Br56
_chemical_formula_sum "K48 Mo144 Br336"
_cell_length_a 28.256964
_cell_length_b 14.352916
_cell_length_c 43.180011
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 231427e0-0e3d-4ff3-8e75-836e1b951379 | mp-542012 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb8Hf6S28Rb8Hf6S28Rb8Hf6S28Rb8Hf6S28
_chemical_formula_sum "Rb32 Hf24 S112"
_cell_length_a 46.74086064
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854... |
SuperCellAction | 02e94282-bf25-442b-b210-d4a827f0a2c1 | mp-1224058 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6S2O2F10Ho6S2O2F10Ho6S2O2F10Ho6S2O2F10
_chemical_formula_sum "Ho24 S8 O8 F40"
_cell_length_a 7.348866
_cell_length_b 9.372114
_cell_length_c 18.84816094
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | 07ac6f43-ffb3-4ff8-bfe5-50a6e20f2fc3 | mp-686618 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural YAl6Si30N45O3
_chemical_formula_sum "Y1 Al6 Si30 N45 O3"
_cell_length_a 7.867781
_cell_length_b 7.88304542
_cell_length_c 17.12646181
_cell_angle_alpha 90.28235966
_cell_angle_beta 89.9019146
_cell_angle_gamma 119.55043271
_space_g... | data_image0
_chemical_formula_structural YAl6Si30N45O3YAl6Si30N45O3YAl6Si30N45O3YAl6Si30N45O3YAl6Si30N45O3YAl6Si30N45O3
_chemical_formula_sum "Y6 Al36 Si180 N270 O18"
_cell_length_a 7.867781
_cell_length_b 15.76609084
_cell_length_c 51.37938542999999
_cell_angle_alpha 90.28235966... |
SuperCellAction | dbc617de-b3d5-4a92-8490-5d75b94f607f | mp-1347506 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12Mg4Cu2Ir2O12Mg4Cu2Ir2O12Mg4Cu2Ir2O12
_chemical_formula_sum "Mg16 Cu8 Ir8 O48"
_cell_length_a 5.303478
_cell_length_b 20.291792
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 2b3bcf7d-7361-4078-935e-58ea11530327 | mp-1523289 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O12BaCaSn4O12
_chemical_formula_sum "Ba2 Ca2 Sn8 O24"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 16.34523044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_sp... |
SuperCellAction | 08f95278-9056-4de5-bfb6-5e0f691670db | mp-2647063 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ru4Cl12Ru4Cl12Ru4Cl12Ru4Cl12Ru4Cl12Ru4Cl12Ru4Cl12Ru4Cl12
_chemical_formula_sum "Ru32 Cl96"
_cell_length_a 6.02991438
_cell_length_b 41.939772
_cell_length_c 13.397744019999998
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
... |
SuperCellAction | 368dce3e-5c35-41c8-b9c3-63b135694d34 | mp-1207461 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Zr12P2I28
_chemical_formula_sum "Zr12 P2 I28"
_cell_length_a 10.9834047
_cell_length_b 10.98340538
_cell_length_c 13.261243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 95.13368863
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zr12P2I28Zr12P2I28Zr12P2I28Zr12P2I28
_chemical_formula_sum "Zr48 P8 I112"
_cell_length_a 10.9834047
_cell_length_b 21.96681076
_cell_length_c 26.522486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 95.13368863
_spa... |
SuperCellAction | de6c5b08-e985-4392-a202-ff61749c7173 | mp-1210254 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 Ni4O16F8Ni4O16F8Ni4O16F8Ni4O16F8Ni4O16F8Ni4O16F8Ni4O16F8Ni4O16F8
_chemical_formula_sum "Ni32 O128 F64"
_cell_length_a 10.74473
_cell_length_b 25.318812
_cell_length_c 11.432453
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | fdd84e30-131c-4072-862e-bfa6c80eeccd | mp-30464 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Bi4Pd10
_chemical_formula_sum "Bi4 Pd10"
_cell_length_a 5.86907876
_cell_length_b 6.80214419
_cell_length_c 7.72867934
_cell_angle_alpha 115.12698734
_cell_angle_beta 112.27544877999999
_cell_angle_gamma 89.99573514
_space_group_na... | data_image0
_chemical_formula_structural Bi4Pd10Bi4Pd10
_chemical_formula_sum "Bi8 Pd20"
_cell_length_a 11.73815752
_cell_length_b 6.80214419
_cell_length_c 7.72867934
_cell_angle_alpha 115.12698734
_cell_angle_beta 112.27544877999999
_cell_angle_gamma 89.99573514
_space_... |
SuperCellAction | 7f470f70-9ab1-42bd-ba11-dedf51250f47 | mp-1205615 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural La4Co4I2
_chemical_formula_sum "La4 Co4 I2"
_cell_length_a 4.03631804
_cell_length_b 4.03631804
_cell_length_c 17.93186934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4Co4I2La4Co4I2
_chemical_formula_sum "La8 Co8 I4"
_cell_length_a 4.03631804
_cell_length_b 8.07263608
_cell_length_c 17.93186934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604999998
_space_group_name_... |
SuperCellAction | 8ac18b47-ab41-4dc7-afc4-2f45abe6a591 | mp-1048316 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Ba2YCo3O7
_chemical_formula_sum "Ba2 Y1 Co3 O7"
_cell_length_a 3.899804
_cell_length_b 3.990514
_cell_length_c 11.59648
_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 Ba2YCo3O7Ba2YCo3O7Ba2YCo3O7Ba2YCo3O7
_chemical_formula_sum "Ba8 Y4 Co12 O28"
_cell_length_a 3.899804
_cell_length_b 7.981028
_cell_length_c 23.19296
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 60d93d7f-936d-4f81-aac6-7fbe3fe44875 | mp-1247511 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Na12W4N8
_chemical_formula_sum "Na12 W4 N8"
_cell_length_a 13.21816615
_cell_length_b 6.467537
_cell_length_c 24.80366161
_cell_angle_alpha 89.99999754
_cell_angle_beta 159.75828686000003
_cell_angle_gamma 104.1609021
_space_group_... | data_image0
_chemical_formula_structural Na12W4N8Na12W4N8Na12W4N8
_chemical_formula_sum "Na36 W12 N24"
_cell_length_a 13.21816615
_cell_length_b 19.402611
_cell_length_c 24.80366161
_cell_angle_alpha 89.99999754
_cell_angle_beta 159.75828686000003
_cell_angle_gamma 104.160... |
SuperCellAction | 9cc859b2-779a-4ffe-b2c0-c96be20cf193 | mp-1235910 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... | data_image0
_chemical_formula_structural LiMn6O4F8LiMn6O4F8LiMn6O4F8LiMn6O4F8LiMn6O4F8LiMn6O4F8LiMn6O4F8LiMn6O4F8
_chemical_formula_sum "Li8 Mn48 O32 F64"
_cell_length_a 4.96618462
_cell_length_b 15.90789158
_cell_length_c 23.3918878
_cell_angle_alpha 92.73156028999999
_cell_angl... |
SuperCellAction | aae1646c-f3e6-4398-a24f-6312c383195a | mp-532413 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Li20B28S52
_chemical_formula_sum "Li20 B28 S52"
_cell_length_a 14.00007587
_cell_length_b 14.00007587
_cell_length_c 12.32493186
_cell_angle_alpha 63.92220882000001
_cell_angle_beta 63.92220882000001
_cell_angle_gamma 103.0203757
_... | data_image0
_chemical_formula_structural Li20B28S52Li20B28S52Li20B28S52Li20B28S52
_chemical_formula_sum "Li80 B112 S208"
_cell_length_a 14.00007587
_cell_length_b 56.00030348
_cell_length_c 12.32493186
_cell_angle_alpha 63.92220882000001
_cell_angle_beta 63.92220882000001
_ce... |
SuperCellAction | 3ea413a1-29c2-4c96-ba5f-fb84f5533e27 | mp-769628 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li8V6Cr2O16Li8V6Cr2O16Li8V6Cr2O16Li8V6Cr2O16
_chemical_formula_sum "Li32 V24 Cr8 O64"
_cell_length_a 20.70814888
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813... |
SuperCellAction | df6d0dd3-f08c-4362-b17e-a7a63dd868be | mp-1041645 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Al2Sb2W4O16
_chemical_formula_sum "Al2 Sb2 W4 O16"
_cell_length_a 5.627521
_cell_length_b 5.198103
_cell_length_c 10.68662032
_cell_angle_alpha 60.811312539999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Al2Sb2W4O16Al2Sb2W4O16Al2Sb2W4O16Al2Sb2W4O16Al2Sb2W4O16Al2Sb2W4O16Al2Sb2W4O16Al2Sb2W4O16
_chemical_formula_sum "Al16 Sb16 W32 O128"
_cell_length_a 11.255042
_cell_length_b 5.198103
_cell_length_c 42.74648128
_cell_angle_alpha 60.8113125399... |
SuperCellAction | e0770ddc-45b5-4a50-8702-219d56e3ab9e | mp-1032153 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Mg6CoCuO8
_chemical_formula_sum "Mg6 Co1 Cu1 O8"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mg6CoCuO8Mg6CoCuO8Mg6CoCuO8Mg6CoCuO8Mg6CoCuO8Mg6CoCuO8
_chemical_formula_sum "Mg36 Co6 Cu6 O48"
_cell_length_a 25.832331149999998
_cell_length_b 4.20526714
_cell_length_c 8.41053428
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 7b47dc74-0d55-43ee-a805-a2ba3258f736 | mp-1235662 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... | data_image0
_chemical_formula_structural LiY2Fe4O8LiY2Fe4O8LiY2Fe4O8LiY2Fe4O8LiY2Fe4O8LiY2Fe4O8
_chemical_formula_sum "Li6 Y12 Fe24 O48"
_cell_length_a 6.61056329
_cell_length_b 12.25167114
_cell_length_c 19.826618370000002
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31... |
SuperCellAction | 6f52544e-c5ab-42aa-a909-f0889c45c38b | mp-1215797 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Zn2Cu10Sb4S13
_chemical_formula_sum "Zn2 Cu10 Sb4 S13"
_cell_length_a 9.03952655
_cell_length_b 9.03952655
_cell_length_c 9.03952655
_cell_angle_alpha 109.77039132999998
_cell_angle_beta 109.77039133
_cell_angle_gamma 108.8745219899... | data_image0
_chemical_formula_structural Zn2Cu10Sb4S13Zn2Cu10Sb4S13Zn2Cu10Sb4S13Zn2Cu10Sb4S13Zn2Cu10Sb4S13Zn2Cu10Sb4S13
_chemical_formula_sum "Zn12 Cu60 Sb24 S78"
_cell_length_a 18.0790531
_cell_length_b 27.118579649999994
_cell_length_c 9.03952655
_cell_angle_alpha 109.77039133
... |
SuperCellAction | 6a66b204-342b-4e8a-921a-7c081c6a46bf | mp-1193732 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te32 Pd16 Pb32 Cl32 O96"
_cell_length_a 11.108722
_cell_length_b 8.317594
_cell_length_c 53.218862... |
SuperCellAction | b4698de5-f277-47d8-8bcf-934cd6ada37c | mp-7593 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Rb4Li4F8
_chemical_formula_sum "Rb4 Li4 F8"
_cell_length_a 6.24092878
_cell_length_b 6.24092878
_cell_length_c 7.78676897
_cell_angle_alpha 87.14777964999999
_cell_angle_beta 87.14777964999999
_cell_angle_gamma 124.97890619999998
_... | data_image0
_chemical_formula_structural Rb4Li4F8Rb4Li4F8Rb4Li4F8Rb4Li4F8
_chemical_formula_sum "Rb16 Li16 F32"
_cell_length_a 6.24092878
_cell_length_b 12.48185756
_cell_length_c 15.57353794
_cell_angle_alpha 87.14777964999999
_cell_angle_beta 87.14777964999999
_cell_angle_g... |
SuperCellAction | 9626205f-e53a-4fa2-81a1-0b05263d2f8f | mp-26088 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Li4Co8P12O48
_chemical_formula_sum "Li4 Co8 P12 O48"
_cell_length_a 8.675564
_cell_length_b 8.589091
_cell_length_c 12.099115949999998
_cell_angle_alpha 89.42846360999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Li4Co8P12O48Li4Co8P12O48Li4Co8P12O48Li4Co8P12O48Li4Co8P12O48Li4Co8P12O48
_chemical_formula_sum "Li24 Co48 P72 O288"
_cell_length_a 26.026691999999997
_cell_length_b 17.178182
_cell_length_c 12.099115949999998
_cell_angle_alpha 89.428463609... |
SuperCellAction | 53c45428-b384-42ed-a902-8b2d097206c1 | mp-978968 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti6O4Ti6O4Ti6O4Ti6O4
_chemical_formula_sum "Ti24 O16"
_cell_length_a 10.20356508
_cell_length_b 5.10248261
_cell_length_c 11.526940579999998
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.993... |
SuperCellAction | 1c312d55-df7e-4dec-8405-f8bbb1c47f70 | mp-1181318 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Ga2P2N2O10
_chemical_formula_sum "Ga2 P2 N2 O10"
_cell_length_a 6.418705
_cell_length_b 4.608994
_cell_length_c 8.139439520000002
_cell_angle_alpha 83.58272771999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ga2P2N2O10Ga2P2N2O10Ga2P2N2O10Ga2P2N2O10Ga2P2N2O10Ga2P2N2O10
_chemical_formula_sum "Ga12 P12 N12 O60"
_cell_length_a 19.256115
_cell_length_b 9.217988
_cell_length_c 8.139439520000002
_cell_angle_alpha 83.58272771999998
_cell_angle_beta ... |
SuperCellAction | 69a4d12e-3b12-4023-9e32-a095d3af5243 | mp-557662 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Ca2Mg5Si8O22F2
_chemical_formula_sum "Ca2 Mg5 Si8 O22 F2"
_cell_length_a 10.37304326
_cell_length_b 10.373043260000001
_cell_length_c 5.32796317
_cell_angle_alpha 83.13018931
_cell_angle_beta 83.13018931
_cell_angle_gamma 122.768936... | data_image0
_chemical_formula_structural Ca2Mg5Si8O22F2Ca2Mg5Si8O22F2Ca2Mg5Si8O22F2Ca2Mg5Si8O22F2Ca2Mg5Si8O22F2Ca2Mg5Si8O22F2Ca2Mg5Si8O22F2Ca2Mg5Si8O22F2
_chemical_formula_sum "Ca16 Mg40 Si64 O176 F16"
_cell_length_a 10.37304326
_cell_length_b 41.492173040000004
_cell_length_c 10.65... |
SuperCellAction | 129ecf81-2d86-46c0-86ec-29e2a110620b | mp-1045681 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg64 Sb64 As128 Se64 O448"
_cell_length_a 10.63966254
_cell_length_b 27.05758454
_cell_length_c ... |
SuperCellAction | 977413a3-259a-40c8-b0ca-dbe5611687c5 | mp-778762 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Li6Mn12B12O36
_chemical_formula_sum "Li6 Mn12 B12 O36"
_cell_length_a 5.25285507
_cell_length_b 13.93360167
_cell_length_c 11.595015219999999
_cell_angle_alpha 66.23360605
_cell_angle_beta 77.71884092000002
_cell_angle_gamma 90.8892... | data_image0
_chemical_formula_structural Li6Mn12B12O36Li6Mn12B12O36Li6Mn12B12O36Li6Mn12B12O36Li6Mn12B12O36Li6Mn12B12O36
_chemical_formula_sum "Li36 Mn72 B72 O216"
_cell_length_a 15.75856521
_cell_length_b 27.86720334
_cell_length_c 11.595015219999999
_cell_angle_alpha 66.23360605... |
SuperCellAction | 0db86d8b-3e2f-417c-9469-4496d574ffff | mp-1444506 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 5.794801
_cell_length_b 5.809732470000001
_cell_length_c 5.85429586
_cell_angle_alpha 119.54427468
_cell_angle_beta 90.964218
_cell_angle_gamma 118.07145026
_space_g... | data_image0
_chemical_formula_structural Li3Mn2Co2O8Li3Mn2Co2O8Li3Mn2Co2O8Li3Mn2Co2O8Li3Mn2Co2O8Li3Mn2Co2O8Li3Mn2Co2O8Li3Mn2Co2O8
_chemical_formula_sum "Li24 Mn16 Co16 O64"
_cell_length_a 11.589602
_cell_length_b 23.238929880000004
_cell_length_c 5.85429586
_cell_angle_alpha 119.... |
SuperCellAction | 89e54152-e026-402d-8e56-623d04a40cab | mp-556361 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Sr4V8Zn4O28
_chemical_formula_sum "Sr4 V8 Zn4 O28"
_cell_length_a 6.772833
_cell_length_b 7.597328
_cell_length_c 13.62432438
_cell_angle_alpha 62.3745401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Sr4V8Zn4O28Sr4V8Zn4O28Sr4V8Zn4O28Sr4V8Zn4O28Sr4V8Zn4O28Sr4V8Zn4O28Sr4V8Zn4O28Sr4V8Zn4O28
_chemical_formula_sum "Sr32 V64 Zn32 O224"
_cell_length_a 27.091332
_cell_length_b 7.597328
_cell_length_c 27.24864876
_cell_angle_alpha 62.3745401
_c... |
SuperCellAction | 157b3fca-6a65-4d21-b980-a13a873d346f | mp-1175713 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.828364
_cell_length_b 6.61889684
_cell_length_c 7.80486759
_cell_angle_alpha 86.24410053000001
_cell_angle_beta 79.4213138
_cell_angle_gamma 77.28227324
_space_g... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li72 Mn16 Co40 O128"
_cell_length_a 23.313456
_cell_length_b 6.61889684
_cell_length_c 15.60973518
_cell_angle_alpha 86... |
SuperCellAction | d9454ea6-5269-4368-b2b3-2cab0f752df5 | mp-1028157 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCuMg14MnCuMg14MnCu
_chemical_formula_sum "Mg42 Mn3 Cu3"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 29.75853729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_n... |
SuperCellAction | d2841efc-2c64-44d9-a273-b5c3e8775211 | mp-1190549 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Ge8O16
_chemical_formula_sum "Ge8 O16"
_cell_length_a 7.54141785
_cell_length_b 7.54141785
_cell_length_c 7.35979191
_cell_angle_alpha 76.83898799
_cell_angle_beta 76.83898799
_cell_angle_gamma 121.50693674999998
_space_group_name_... | data_image0
_chemical_formula_structural Ge8O16Ge8O16Ge8O16Ge8O16Ge8O16Ge8O16Ge8O16Ge8O16
_chemical_formula_sum "Ge64 O128"
_cell_length_a 30.1656714
_cell_length_b 15.0828357
_cell_length_c 7.35979191
_cell_angle_alpha 76.83898799
_cell_angle_beta 76.83898799
_cell_angle_gam... |
SuperCellAction | a4dd8247-5afa-447f-8597-08a293a7ad8c | mp-1304002 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16
_chemical_formula_sum "Li64 Ni48 Bi16 O128"
_cell_length_a 12.0885802
_cell_length_b 10.53646859
_cell_length_c 24.174271239999996
_cell_angle_al... |
SuperCellAction | 61289ee1-a5f3-4b47-85ab-be0bcc923ada | mp-1239179 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 11.43266811
_cell_length_b 3.424343
_cell_length_c 12.008144939999998
_cell_angle_alpha 90.0
_cell_angle_beta 89.45799247
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16Ta2Cr6Cu4S16Ta2Cr6Cu4S16Ta2Cr6Cu4S16
_chemical_formula_sum "Ta8 Cr24 Cu16 S64"
_cell_length_a 11.43266811
_cell_length_b 6.848686
_cell_length_c 24.016289879999995
_cell_angle_alpha 90.0
_cell_angle_beta 89.45799247
_cell_a... |
SuperCellAction | b8af24c4-f451-4cfc-8eac-100d3762f201 | mp-1173233 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12Sr3LaCu2Bi4O12Sr3LaCu2Bi4O12Sr3LaCu2Bi4O12Sr3LaCu2Bi4O12Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr18 La6 Cu12 Bi24 O72"
_cell_length_a 9.12733892
_cell_length_b 14.64423669
_cell_length_c 16.208894570000002
_cell_angle_alpha 97... |
SuperCellAction | 9737f031-4f95-4aed-8e6f-de3550474a25 | mp-1195660 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48Ba8Ga2B20H14O48
_chemical_formula_sum "Ba16 Ga4 B40 H28 O96"
_cell_length_a 7.11976946
_cell_length_b 14.23953892
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gam... |
SuperCellAction | 326972ac-2d92-4939-9eef-601e42d76649 | mp-1100732 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li72 Mn16 Co40 O128"
_cell_length_a 2.900659
_cell_length_b 10.325936
_cell_length_c 78.0982074
_cell_angle_alpha 84.59... |
SuperCellAction | 7e29ff90-2f6e-45d1-9d78-67bfdde2ae95 | mp-1189263 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Pd2N4O12
_chemical_formula_sum "Pd2 N4 O12"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pd2N4O12Pd2N4O12Pd2N4O12Pd2N4O12
_chemical_formula_sum "Pd8 N16 O48"
_cell_length_a 4.909907
_cell_length_b 24.797228
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 96e422cd-6902-4b80-adfa-7697bade1045 | mp-1113414 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Cs2InAuI6
_chemical_formula_sum "Cs2 In1 Au1 I6"
_cell_length_a 8.47478367
_cell_length_b 8.47478367
_cell_length_c 8.47478367
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2InAuI6Cs2InAuI6Cs2InAuI6Cs2InAuI6
_chemical_formula_sum "Cs8 In4 Au4 I24"
_cell_length_a 8.47478367
_cell_length_b 33.89913468
_cell_length_c 8.47478367
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_... |
SuperCellAction | 08aefb9a-07de-4361-a64f-1910aaa76eb3 | mp-567194 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 Mn8Nb36Ge32Mn8Nb36Ge32Mn8Nb36Ge32Mn8Nb36Ge32Mn8Nb36Ge32Mn8Nb36Ge32Mn8Nb36Ge32Mn8Nb36Ge32
_chemical_formula_sum "Mn64 Nb288 Ge256"
_cell_length_a 10.672914
_cell_length_b 14.002561
_cell_length_c 67.395948
_cell_angle_alpha 90.0
_cell_angle... |
SuperCellAction | 116f360c-1ac5-4ec9-9979-937e448d46ea | mp-758705 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24061526
_cell_length_b 9.15571646
_cell_length_c 11.324805590000002
_cell_angle_alpha 66.50654905
_cell_angle_beta 77.06653165
_cell_angle_gamma 89.07226698
_spac... | data_image0
_chemical_formula_structural Li4Fe8B8O24Li4Fe8B8O24Li4Fe8B8O24Li4Fe8B8O24
_chemical_formula_sum "Li16 Fe32 B32 O96"
_cell_length_a 5.24061526
_cell_length_b 9.15571646
_cell_length_c 45.29922236000001
_cell_angle_alpha 66.50654905
_cell_angle_beta 77.06653165
_cel... |
SuperCellAction | 4da47404-1ebc-44a0-982f-480ec71551b7 | mp-1221029 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural NaPr9Ge6O26
_chemical_formula_sum "Na1 Pr9 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural NaPr9Ge6O26NaPr9Ge6O26NaPr9Ge6O26NaPr9Ge6O26
_chemical_formula_sum "Na4 Pr36 Ge24 O104"
_cell_length_a 9.90787573
_cell_length_b 19.81575146
_cell_length_c 14.493414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119... |
SuperCellAction | 4d6d4e61-f463-4372-a62f-03f43bf5488a | mp-608522 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Sb4Mo20O62
_chemical_formula_sum "Sb4 Mo20 O62"
_cell_length_a 7.40808
_cell_length_b 8.194364
_cell_length_c 20.430667
_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 Sb4Mo20O62Sb4Mo20O62Sb4Mo20O62Sb4Mo20O62Sb4Mo20O62Sb4Mo20O62Sb4Mo20O62Sb4Mo20O62
_chemical_formula_sum "Sb32 Mo160 O496"
_cell_length_a 14.81616
_cell_length_b 8.194364
_cell_length_c 81.722668
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 4584e200-b8cd-4b54-aa55-43589d95448a | mp-607816 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4Fe4Ge4U4Fe4Ge4U4Fe4Ge4U4Fe4Ge4U4Fe4Ge4U4Fe4Ge4U4Fe4Ge4U4Fe4Ge4
_chemical_formula_sum "U32 Fe32 Ge32"
_cell_length_a 4.40635433
_cell_length_b 14.0163622
_cell_length_c 27.75856328
_cell_angle_alpha 94.07646617999998
_cell_angle_beta ... |
SuperCellAction | d681a5a8-b5f4-4dc8-b28a-9a4e7d4087fd | mp-698712 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Sr5La3Mn8O20F4
_chemical_formula_sum "Sr5 La3 Mn8 O20 F4"
_cell_length_a 5.628558
_cell_length_b 5.6895292
_cell_length_c 15.559255630000001
_cell_angle_alpha 89.88712299
_cell_angle_beta 89.93328182
_cell_angle_gamma 89.81643661
_... | data_image0
_chemical_formula_structural Sr5La3Mn8O20F4Sr5La3Mn8O20F4Sr5La3Mn8O20F4
_chemical_formula_sum "Sr15 La9 Mn24 O60 F12"
_cell_length_a 5.628558
_cell_length_b 17.068587599999997
_cell_length_c 15.559255630000001
_cell_angle_alpha 89.88712299
_cell_angle_beta 89.9332... |
SuperCellAction | 6c6942f1-b8f8-417f-ae95-3d288650fbd5 | mp-1044670 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... | data_image0
_chemical_formula_structural Zn2Ag4O8Zn2Ag4O8
_chemical_formula_sum "Zn4 Ag8 O16"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 12.61168872
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237... |
SuperCellAction | 410c7269-0102-40e9-b634-993043544022 | mp-773817 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Sn16N16O8
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.836539
_cell_length_b 8.83747851
_cell_length_c 8.8470165
_cell_angle_alpha 109.45200518
_cell_angle_beta 109.40988055999999
_cell_angle_gamma 109.39716906
_space_group... | data_image0
_chemical_formula_structural Sn16N16O8Sn16N16O8
_chemical_formula_sum "Sn32 N32 O16"
_cell_length_a 17.673078
_cell_length_b 8.83747851
_cell_length_c 8.8470165
_cell_angle_alpha 109.45200518
_cell_angle_beta 109.40988055999999
_cell_angle_gamma 109.39716906
_... |
SuperCellAction | cd83f0b7-43b9-44f6-91b5-4b9386a0aef5 | mp-569606 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Nd6Mn2Bi10
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Nd6Mn2Bi10Nd6Mn2Bi10Nd6Mn2Bi10Nd6Mn2Bi10Nd6Mn2Bi10Nd6Mn2Bi10Nd6Mn2Bi10Nd6Mn2Bi10
_chemical_formula_sum "Nd48 Mn16 Bi80"
_cell_length_a 19.35667228
_cell_length_b 9.67833614
_cell_length_c 26.044592
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 70c978d5-20cf-4ba7-a121-0d44770b66d6 | mp-3536 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural Mg2Al4O8Mg2Al4O8
_chemical_formula_sum "Mg4 Al8 O16"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 11.427399300000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319... |
SuperCellAction | 2416b952-5523-4fc3-b80b-208ae72cbdc1 | mp-767370 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36Li8Ti4Mn6Fe8O36Li8Ti4Mn6Fe8O36Li8Ti4Mn6Fe8O36Li8Ti4Mn6Fe8O36Li8Ti4Mn6Fe8O36Li8Ti4Mn6Fe8O36Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li64 Ti32 Mn48 Fe64 O288"
_cell_length_a 11.7408
_cell_length_b 8.997828
_cell_length_c 50.921642
... |
SuperCellAction | 08952f5e-849f-4c3b-8fca-90e04937b1d3 | mp-554704 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti4P4H4O20Ti4P4H4O20Ti4P4H4O20Ti4P4H4O20
_chemical_formula_sum "Ti16 P16 H16 O80"
_cell_length_a 14.32754
_cell_length_b 14.97002
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 28948659-2146-4189-a697-643f9548f487 | mp-1214440 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Ba4LiB3N6
_chemical_formula_sum "Ba4 Li1 B3 N6"
_cell_length_a 6.87450619
_cell_length_b 6.87450619
_cell_length_c 6.87450619
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Ba4LiB3N6Ba4LiB3N6Ba4LiB3N6Ba4LiB3N6Ba4LiB3N6Ba4LiB3N6
_chemical_formula_sum "Ba24 Li6 B18 N36"
_cell_length_a 20.62351857
_cell_length_b 13.74901238
_cell_length_c 6.87450619
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.4712206... |
SuperCellAction | 222be706-573d-4c09-b545-2f7390fa3e26 | mp-758242 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... | data_image0
_chemical_formula_structural Li2P6W4O24Li2P6W4O24Li2P6W4O24Li2P6W4O24Li2P6W4O24Li2P6W4O24Li2P6W4O24Li2P6W4O24
_chemical_formula_sum "Li16 P48 W32 O192"
_cell_length_a 17.75252578
_cell_length_b 17.75252578
_cell_length_c 17.75252612
_cell_angle_alpha 59.79763145999999... |
SuperCellAction | c8e3b2f1-9f85-4965-80fb-6171e16fa70e | mp-766011 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural Li3VCrP2H2O10Li3VCrP2H2O10Li3VCrP2H2O10Li3VCrP2H2O10Li3VCrP2H2O10Li3VCrP2H2O10
_chemical_formula_sum "Li18 V6 Cr6 P12 H12 O60"
_cell_length_a 5.22824342
_cell_length_b 16.728665279999998
_cell_length_c 15.1228937
_cell_angle_alpha 108.8334... |
SuperCellAction | 948b1b72-6bd1-48b6-8b26-2f3a86654314 | mp-1192939 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Sc6Co16Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Co16Si7Sc6Co16Si7Sc6Co16Si7Sc6Co16Si7
_chemical_formula_sum "Sc24 Co64 Si28"
_cell_length_a 8.06826091
_cell_length_b 16.13652182
_cell_length_c 16.13652182
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cel... |
SuperCellAction | 5967b457-f7ab-4527-ba77-e29821f05863 | mp-1191000 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Eu6Si4Ni12
_chemical_formula_sum "Eu6 Si4 Ni12"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Eu6Si4Ni12Eu6Si4Ni12
_chemical_formula_sum "Eu12 Si8 Ni24"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 15.39842358
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... |
SuperCellAction | f6f0c455-e1b6-4bd2-8a82-7633b9eee8bb | mp-767370 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36Li8Ti4Mn6Fe8O36Li8Ti4Mn6Fe8O36Li8Ti4Mn6Fe8O36Li8Ti4Mn6Fe8O36Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li48 Ti24 Mn36 Fe48 O216"
_cell_length_a 2.9352
_cell_length_b 26.993484000000002
_cell_length_c 50.921642
_cell_angle_alpha ... |
SuperCellAction | 4c563723-9326-4dba-94e9-00595698f84c | mp-36100 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Ca2Sm4S8
_chemical_formula_sum "Ca2 Sm4 S8"
_cell_length_a 7.3624864
_cell_length_b 7.362486399999999
_cell_length_c 7.3624864
_cell_angle_alpha 109.59223233
_cell_angle_beta 109.59223233
_cell_angle_gamma 109.22946738
_space_group... | data_image0
_chemical_formula_structural Ca2Sm4S8Ca2Sm4S8
_chemical_formula_sum "Ca4 Sm8 S16"
_cell_length_a 7.3624864
_cell_length_b 7.362486399999999
_cell_length_c 14.7249728
_cell_angle_alpha 109.59223233
_cell_angle_beta 109.59223233
_cell_angle_gamma 109.22946738
_s... |
SuperCellAction | ad77c4e6-d8e3-4791-8b30-04a19c6d554a | mp-24598 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40
_chemical_formula_sum "Ba32 V32 P64 H128 O320"
_cell_length_a 12.987432
_cell_length_b 21.970438
_cell_length_c 23.1382301
_cell_angle_al... |
SuperCellAction | 3a6e40f0-02b8-436e-b7b7-b2a9fdf98875 | mp-641191 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural U8Tl8Mo12O64
_chemical_formula_sum "U8 Tl8 Mo12 O64"
_cell_length_a 8.414816
_cell_length_b 9.871656
_cell_length_c 20.405515
_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 U8Tl8Mo12O64U8Tl8Mo12O64U8Tl8Mo12O64
_chemical_formula_sum "U24 Tl24 Mo36 O192"
_cell_length_a 8.414816
_cell_length_b 29.614967999999998
_cell_length_c 20.405515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | 4f2e3570-f80e-4299-9596-fb817799aca4 | mp-1173626 | Create a supercell with the size 1×1×3. | 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 Nd4C2O10Nd4C2O10Nd4C2O10
_chemical_formula_sum "Nd12 C6 O30"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 47.06467392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_na... |
SuperCellAction | 9e24a442-119b-4e3a-bad8-5f5c9c5bbc70 | mp-1191177 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Tb4Co14B6
_chemical_formula_sum "Tb4 Co14 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_space_gro... | data_image0
_chemical_formula_structural Tb4Co14B6Tb4Co14B6Tb4Co14B6Tb4Co14B6Tb4Co14B6Tb4Co14B6Tb4Co14B6Tb4Co14B6
_chemical_formula_sum "Tb32 Co112 B48"
_cell_length_a 10.07957524
_cell_length_b 10.07498936
_cell_length_c 25.451519999999995
_cell_angle_alpha 89.99993873
_cell_ang... |
SuperCellAction | 971ec5c7-7060-4e87-8df9-2ac425e9d660 | mp-34237 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Mn12Cu6O24
_chemical_formula_sum "Mn12 Cu6 O24"
_cell_length_a 6.11319617
_cell_length_b 6.113196169999999
_cell_length_c 14.74257279
_cell_angle_alpha 87.05947953000002
_cell_angle_beta 87.05947953000002
_cell_angle_gamma 58.126996... | data_image0
_chemical_formula_structural Mn12Cu6O24Mn12Cu6O24Mn12Cu6O24Mn12Cu6O24Mn12Cu6O24Mn12Cu6O24
_chemical_formula_sum "Mn72 Cu36 O144"
_cell_length_a 18.33958851
_cell_length_b 6.113196169999999
_cell_length_c 29.48514558
_cell_angle_alpha 87.05947953000002
_cell_angle_beta... |
SuperCellAction | aa2fd9f4-e749-4dd8-bb9a-01c1d6f170ea | mp-1211273 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural La4Cr4Se8O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... | data_image0
_chemical_formula_structural La4Cr4Se8O4La4Cr4Se8O4La4Cr4Se8O4La4Cr4Se8O4La4Cr4Se8O4La4Cr4Se8O4La4Cr4Se8O4La4Cr4Se8O4
_chemical_formula_sum "La32 Cr32 Se64 O32"
_cell_length_a 3.898326
_cell_length_b 17.56624
_cell_length_c 46.82244
_cell_angle_alpha 90.00068837
_cell... |
SuperCellAction | 271e2eb4-29c8-4581-ae2c-f95c19c44996 | mp-2230683 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.80941945
_cell_length_b 7.43612217
_cell_length_c 7.245667429999999
_cell_angle_alpha 86.30378382
_cell_angle_beta 78.04470993
_cell_angle_gamma 73.13947178
_spac... | data_image0
_chemical_formula_structural MgGe4Bi2O12MgGe4Bi2O12MgGe4Bi2O12MgGe4Bi2O12MgGe4Bi2O12MgGe4Bi2O12MgGe4Bi2O12MgGe4Bi2O12
_chemical_formula_sum "Mg8 Ge32 Bi16 O96"
_cell_length_a 11.6188389
_cell_length_b 7.43612217
_cell_length_c 28.982669719999997
_cell_angle_alpha 86.3... |
SuperCellAction | 135ebce0-fdb5-43b4-be51-1770137fd7ff | mp-1235023 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZn2Fe4O8LiZn2Fe4O8LiZn2Fe4O8LiZn2Fe4O8LiZn2Fe4O8LiZn2Fe4O8
_chemical_formula_sum "Li6 Zn12 Fe24 O48"
_cell_length_a 18.4672974
_cell_length_b 6.155765599999999
_cell_length_c 11.83395096
_cell_angle_alpha 61.27510906
_cell_angle_beta ... |
SuperCellAction | 82d3db3d-759a-4742-ae6f-6664a0cec386 | mp-1211033 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3Lu12In2Fe3
_chemical_formula_sum "Lu96 In16 Fe24"
_cell_length_a 8.15749244
_cell_length_b 16.31497594
_cell_length_c 32.63011244
_cell_angle_alpha 108.89905187
_cell_an... |
SuperCellAction | 1a436b7f-23b8-48ed-9704-e8f9cf9c9ef5 | mp-1195660 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48Ba8Ga2B20H14O48Ba8Ga2B20H14O48Ba8Ga2B20H14O48
_chemical_formula_sum "Ba32 Ga8 B80 H56 O192"
_cell_length_a 14.23953892
_cell_length_b 14.23953892
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_bet... |
SuperCellAction | e07793e9-2a78-45dc-b90e-d16378dff2b3 | mp-20461 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... | data_image0
_chemical_formula_structural Ba2Pb2O6Ba2Pb2O6Ba2Pb2O6Ba2Pb2O6Ba2Pb2O6Ba2Pb2O6Ba2Pb2O6Ba2Pb2O6
_chemical_formula_sum "Ba16 Pb16 O48"
_cell_length_a 12.3007329
_cell_length_b 24.6014658
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta ... |
SuperCellAction | 4262256b-ec71-402a-815b-92f552202c5c | mp-978968 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti6O4Ti6O4Ti6O4Ti6O4Ti6O4Ti6O4Ti6O4Ti6O4
_chemical_formula_sum "Ti48 O32"
_cell_length_a 20.40713016
_cell_length_b 5.10248261
_cell_length_c 11.526940579999998
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_an... |
SuperCellAction | cb7b7a9d-68ab-413a-9809-9dee3b767c9d | mp-740754 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Sm2H16N6O30
_chemical_formula_sum "Sm2 H16 N6 O30"
_cell_length_a 6.80610947
_cell_length_b 8.82664685
_cell_length_c 12.03004984
_cell_angle_alpha 68.70142431
_cell_angle_beta 91.11333889
_cell_angle_gamma 69.58113973
_space_group... | data_image0
_chemical_formula_structural Sm2H16N6O30Sm2H16N6O30Sm2H16N6O30Sm2H16N6O30
_chemical_formula_sum "Sm8 H64 N24 O120"
_cell_length_a 27.22443788
_cell_length_b 8.82664685
_cell_length_c 12.03004984
_cell_angle_alpha 68.70142431
_cell_angle_beta 91.11333889
_cell_angl... |
SuperCellAction | 70a0e92f-f39b-4b70-9cdb-1cfc7c0e7bd3 | mp-686019 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Y8Ti8O28
_chemical_formula_sum "Y8 Ti8 O28"
_cell_length_a 7.365875
_cell_length_b 7.39743107
_cell_length_c 10.69679628
_cell_angle_alpha 86.13988558
_cell_angle_beta 88.87738194
_cell_angle_gamma 89.17811148
_space_group_name_H-M... | data_image0
_chemical_formula_structural Y8Ti8O28Y8Ti8O28Y8Ti8O28Y8Ti8O28Y8Ti8O28Y8Ti8O28
_chemical_formula_sum "Y48 Ti48 O168"
_cell_length_a 22.097625
_cell_length_b 7.39743107
_cell_length_c 21.39359256
_cell_angle_alpha 86.13988558
_cell_angle_beta 88.87738194
_cell_angle... |
SuperCellAction | 256a2211-1e89-4841-aaa0-b586ead9b619 | mp-647812 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Cr4C24O24
_chemical_formula_sum "Cr4 C24 O24"
_cell_length_a 6.20407855
_cell_length_b 10.86429383
_cell_length_c 11.50555702
_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 Cr4C24O24Cr4C24O24Cr4C24O24
_chemical_formula_sum "Cr12 C72 O72"
_cell_length_a 6.20407855
_cell_length_b 32.592881489999996
_cell_length_c 11.50555702
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | ef291bf1-9575-455a-8d6d-0eb5dcf906cd | mp-699431 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16
_chemical_formula_sum "Al12 H48 Se24 O96"
_cell_length_a 19.920816000000002
_cell_length_b 7.408615
_cell_length_c 17.844089439999998
_cell_angle_alpha 54.03288984999999
_c... |
SuperCellAction | ab62a432-4828-445e-983e-022c35cc9ae1 | mp-1216188 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Zr37Mo15P4
_chemical_formula_sum "Zr37 Mo15 P4"
_cell_length_a 8.75578693
_cell_length_b 8.755895
_cell_length_c 17.550792
_cell_angle_alpha 90.0
_cell_angle_beta 90.00009104
_cell_angle_gamma 59.999595479999996
_space_group_name_H... | data_image0
_chemical_formula_structural Zr37Mo15P4Zr37Mo15P4Zr37Mo15P4Zr37Mo15P4Zr37Mo15P4Zr37Mo15P4Zr37Mo15P4Zr37Mo15P4
_chemical_formula_sum "Zr296 Mo120 P32"
_cell_length_a 35.02314772
_cell_length_b 17.51179
_cell_length_c 17.550792
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 3fc0999b-c332-4618-aa8f-ab135f7a368c | mp-1041629 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Mg4Co8O16
_chemical_formula_sum "Mg4 Co8 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 Mg4Co8O16Mg4Co8O16Mg4Co8O16
_chemical_formula_sum "Mg12 Co24 O48"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 29.008385999999998
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | ab1fca3b-1f0d-41d9-8985-7dd9001892a6 | mp-505267 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Np4Si8Tc6
_chemical_formula_sum "Np4 Si8 Tc6"
_cell_length_a 8.09995615
_cell_length_b 5.6419647
_cell_length_c 6.806988380000001
_cell_angle_alpha 76.41346858
_cell_angle_beta 89.99931691
_cell_angle_gamma 90.00011464999999
_space... | data_image0
_chemical_formula_structural Np4Si8Tc6Np4Si8Tc6Np4Si8Tc6
_chemical_formula_sum "Np12 Si24 Tc18"
_cell_length_a 24.29986845
_cell_length_b 5.6419647
_cell_length_c 6.806988380000001
_cell_angle_alpha 76.41346858
_cell_angle_beta 89.99931691
_cell_angle_gamma 90.... |
SuperCellAction | b96026a8-de78-4b2b-9681-510192f6d622 | mp-763174 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... | data_image0
_chemical_formula_structural Li8V4O8F4Li8V4O8F4
_chemical_formula_sum "Li16 V8 O16 F8"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 17.97064266
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.82716525999... |
SuperCellAction | a57139c2-840c-4506-97be-8c17471ca245 | mp-997504 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F10Cu6O2F10Cu6O2F10
_chemical_formula_sum "Cu18 O6 F30"
_cell_length_a 22.62197139
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 1... |
SuperCellAction | 078894b2-502d-42f7-8cab-8a79b06f6e40 | mp-1038196 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Mg30NbAlO32
_chemical_formula_sum "Mg30 Nb1 Al1 O32"
_cell_length_a 8.580637
_cell_length_b 8.580637
_cell_length_c 8.583799
_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 Mg30NbAlO32Mg30NbAlO32Mg30NbAlO32
_chemical_formula_sum "Mg90 Nb3 Al3 O96"
_cell_length_a 8.580637
_cell_length_b 8.580637
_cell_length_c 25.751397000000004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 74aee820-581b-4bf6-aca6-c5573864faf7 | mp-1188929 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12
_chemical_formula_sum "Ti12 Nb36 S72"
_cell_length_a 5.81280398
_cell_length_b 11.62532
_cell_length_c 37.60859766
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.999737229... |
SuperCellAction | a4bc0f4b-bbb6-47eb-b2aa-cbc672ae88d2 | mp-979979 | Create a supercell with the size 1x3x1. | 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 Sm6Sb8Au6Sm6Sb8Au6Sm6Sb8Au6
_chemical_formula_sum "Sm18 Sb24 Au18"
_cell_length_a 8.66406727
_cell_length_b 25.992201810000005
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma ... |
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