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 | 86c0ed95-b08b-4c4b-89d7-173a7aca9908 | mp-1523289 | Create a supercell with the size 2×1×2. | 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 BaCaSn4O12BaCaSn4O12BaCaSn4O12BaCaSn4O12
_chemical_formula_sum "Ba4 Ca4 Sn16 O48"
_cell_length_a 11.61684104
_cell_length_b 5.808420519999999
_cell_length_c 16.34523044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | a03b1e3c-af8f-4146-8849-229229be7075 | mp-1206898 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Y4In2Ge4
_chemical_formula_sum "Y4 In2 Ge4"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_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 Y4In2Ge4Y4In2Ge4Y4In2Ge4Y4In2Ge4Y4In2Ge4Y4In2Ge4
_chemical_formula_sum "Y24 In12 Ge24"
_cell_length_a 4.164073
_cell_length_b 14.868232
_cell_length_c 22.302348000000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 3154c6a2-2432-470b-a5a9-2f21e819df1a | mp-1214060 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Ca2Mg10P6H2C2O32
_chemical_formula_sum "Ca2 Mg10 P6 H2 C2 O32"
_cell_length_a 6.385735
_cell_length_b 8.7735602
_cell_length_c 10.933108059999999
_cell_angle_alpha 94.93399089
_cell_angle_beta 100.99475019
_cell_angle_gamma 93.15584... | data_image0
_chemical_formula_structural Ca2Mg10P6H2C2O32Ca2Mg10P6H2C2O32Ca2Mg10P6H2C2O32Ca2Mg10P6H2C2O32Ca2Mg10P6H2C2O32Ca2Mg10P6H2C2O32Ca2Mg10P6H2C2O32Ca2Mg10P6H2C2O32
_chemical_formula_sum "Ca16 Mg80 P48 H16 C16 O256"
_cell_length_a 12.77147
_cell_length_b 35.0942408
_cell_length_c ... |
SuperCellAction | 6a5f86c9-b258-4e63-b5d1-72990aacd2ce | mp-558681 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16
_chemical_formula_sum "P32 Cl32 O32 F64"
_cell_length_a 5.55295745
_cell_length_b 39.63179952
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 4c458197-d055-4b41-891d-e5783ce94dcd | mp-1196193 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2FeSn4H24C8Se10N2FeSn4H24C8Se10N2FeSn4H24C8Se10N2
_chemical_formula_sum "Fe4 Sn16 H96 C32 Se40 N8"
_cell_length_a 11.01614547
_cell_length_b 22.03229094
_cell_length_c 22.03229094
_cell_angle_alpha 123.33029273
_cell_angle_b... |
SuperCellAction | 77cec48d-8d47-48e2-8c37-3bcf27a85877 | mp-510581 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4
_chemical_formula_sum "Pr2 Ni2 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4Pr2Ni2Sn2H4Pr2Ni2Sn2H4Pr2Ni2Sn2H4
_chemical_formula_sum "Pr8 Ni8 Sn8 H16"
_cell_length_a 4.41130012
_cell_length_b 17.64520048
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000... |
SuperCellAction | fb199648-cdeb-4b05-96e6-0da97aecdee1 | mp-862893 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Th3Nb12O36
_chemical_formula_sum "Th3 Nb12 O36"
_cell_length_a 11.97588008
_cell_length_b 11.97588008
_cell_length_c 11.97588008
_cell_angle_alpha 152.94345047
_cell_angle_beta 96.08688022
_cell_angle_gamma 90.19512719
_space_group... | data_image0
_chemical_formula_structural Th3Nb12O36Th3Nb12O36Th3Nb12O36Th3Nb12O36Th3Nb12O36Th3Nb12O36Th3Nb12O36Th3Nb12O36
_chemical_formula_sum "Th24 Nb96 O288"
_cell_length_a 23.95176016
_cell_length_b 11.97588008
_cell_length_c 47.90352032
_cell_angle_alpha 152.94345047
_cell_a... |
SuperCellAction | bb50a544-b23e-42ae-ac5a-21b6fe00ce30 | mp-1205145 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52Na8Ti4Si16H8O52Na8Ti4Si16H8O52
_chemical_formula_sum "Na24 Ti12 Si48 H24 O156"
_cell_length_a 22.339284
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | 0a79fdee-79fe-4419-b7a0-7cb20e522658 | mp-768771 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Li12Bi4B8O24
_chemical_formula_sum "Li12 Bi4 B8 O24"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li12Bi4B8O24Li12Bi4B8O24Li12Bi4B8O24Li12Bi4B8O24Li12Bi4B8O24Li12Bi4B8O24Li12Bi4B8O24Li12Bi4B8O24
_chemical_formula_sum "Li96 Bi32 B64 O192"
_cell_length_a 36.753176
_cell_length_b 10.64256
_cell_length_c 12.005007730000003
_cell_angle_alpha ... |
SuperCellAction | 13211736-29b2-4f43-a073-dcb8f6cdaf6d | mp-1205906 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural K2Mn2I2O12
_chemical_formula_sum "K2 Mn2 I2 O12"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2Mn2I2O12K2Mn2I2O12K2Mn2I2O12K2Mn2I2O12K2Mn2I2O12K2Mn2I2O12
_chemical_formula_sum "K12 Mn12 I12 O72"
_cell_length_a 5.12804591
_cell_length_b 15.384137729999999
_cell_length_c 24.51315
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | a3969de6-5ed4-411f-af56-d7d3ddc42ee5 | mp-1211461 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural K4Li4Dy4F20
_chemical_formula_sum "K4 Li4 Dy4 F20"
_cell_length_a 6.43494672
_cell_length_b 6.26276227
_cell_length_c 11.66117988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.58188199999998
_space_group_name_H... | data_image0
_chemical_formula_structural K4Li4Dy4F20K4Li4Dy4F20K4Li4Dy4F20K4Li4Dy4F20K4Li4Dy4F20K4Li4Dy4F20K4Li4Dy4F20K4Li4Dy4F20
_chemical_formula_sum "K32 Li32 Dy32 F160"
_cell_length_a 6.43494672
_cell_length_b 25.05104908
_cell_length_c 23.32235976
_cell_angle_alpha 90.0
_cel... |
SuperCellAction | c5642803-9b95-4a07-a412-bf927b462a77 | mp-2824 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Al4Pd8
_chemical_formula_sum "Al4 Pd8"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_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 Al4Pd8Al4Pd8Al4Pd8Al4Pd8
_chemical_formula_sum "Al16 Pd32"
_cell_length_a 16.28677168
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | b30ad832-e0f9-4697-929b-4ffb3f9a3bf5 | mp-1046251 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16Ta4Zn4W2O16
_chemical_formula_sum "Ta8 Zn8 W4 O32"
_cell_length_a 10.688794
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.188397... |
SuperCellAction | af9a770d-6504-4c54-bf29-f5385c6ae909 | mp-754378 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534081
_... | data_image0
_chemical_formula_structural Li2V6O8Li2V6O8
_chemical_formula_sum "Li4 V12 O16"
_cell_length_a 6.08297738
_cell_length_b 11.95552916
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.7... |
SuperCellAction | 0d1bf593-df96-4725-8ad3-740ff167539b | mp-17446 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Pr4Pt4F28
_chemical_formula_sum "Pr4 Pt4 F28"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr4Pt4F28Pr4Pt4F28Pr4Pt4F28Pr4Pt4F28
_chemical_formula_sum "Pr16 Pt16 F112"
_cell_length_a 11.10500692
_cell_length_b 18.33477338
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | ea539160-7bb2-4ab3-b7e3-0e7debec7e6e | mp-1079383 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ce4In2Cu4Ce4In2Cu4Ce4In2Cu4Ce4In2Cu4
_chemical_formula_sum "Ce16 In8 Cu16"
_cell_length_a 33.520372
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | bccc2d54-b8b6-4902-8431-8c1693c0f7fb | mp-2223616 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgCuH4O2F2MgCuH4O2F2MgCuH4O2F2MgCuH4O2F2
_chemical_formula_sum "Mg4 Cu4 H16 O8 F8"
_cell_length_a 3.24414608
_cell_length_b 12.41747576
_cell_length_c 12.417473160000002
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971... |
SuperCellAction | 64bd094e-6117-427f-a0fe-c26fab52fad9 | mp-757276 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Li6Ti4P6O24
_chemical_formula_sum "Li6 Ti4 P6 O24"
_cell_length_a 4.96862546
_cell_length_b 4.96862546
_cell_length_c 18.6147344
_cell_angle_alpha 89.63124619
_cell_angle_beta 89.63124619
_cell_angle_gamma 66.84018246
_space_group_... | data_image0
_chemical_formula_structural Li6Ti4P6O24Li6Ti4P6O24Li6Ti4P6O24Li6Ti4P6O24Li6Ti4P6O24Li6Ti4P6O24
_chemical_formula_sum "Li36 Ti24 P36 O144"
_cell_length_a 4.96862546
_cell_length_b 9.93725092
_cell_length_c 55.844203199999995
_cell_angle_alpha 89.63124619
_cell_angle_b... |
SuperCellAction | 8496613e-2f39-484c-ad5a-8e83ef9cd730 | mp-1199851 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_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 Er4C12O32Er4C12O32Er4C12O32Er4C12O32Er4C12O32Er4C12O32
_chemical_formula_sum "Er24 C72 O192"
_cell_length_a 21.694587
_cell_length_b 17.770116
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | 4e398089-d1bf-4ac5-95d1-dcacd944745a | mp-760314 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6O5F19V6O5F19V6O5F19V6O5F19V6O5F19V6O5F19V6O5F19V6O5F19
_chemical_formula_sum "V48 O40 F152"
_cell_length_a 10.71449
_cell_length_b 10.99457732
_cell_length_c 29.84729068
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.656871... |
SuperCellAction | 49ac1eda-7bb2-431a-a36f-ca276ec1e7cb | mp-1219511 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Sb4O16
_chemical_formula_sum "Sb4 O16"
_cell_length_a 7.37775671
_cell_length_b 7.377756709999999
_cell_length_c 7.37775671
_cell_angle_alpha 120.42942317
_cell_angle_beta 119.88450821
_cell_angle_gamma 89.72899265999999
_space_gro... | data_image0
_chemical_formula_structural Sb4O16Sb4O16Sb4O16Sb4O16Sb4O16Sb4O16Sb4O16Sb4O16
_chemical_formula_sum "Sb32 O128"
_cell_length_a 14.75551342
_cell_length_b 14.755513419999998
_cell_length_c 14.75551342
_cell_angle_alpha 120.42942317
_cell_angle_beta 119.88450821
_ce... |
SuperCellAction | bfae4dbe-cbf8-4d62-b105-7b12a1bc6c03 | mp-1235023 | Create a supercell with the size 2*3*1. | 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 12.3115316
_cell_length_b 18.4672968
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.2751... |
SuperCellAction | e38c7563-7141-4df4-8093-48211bfb1e81 | mp-1276828 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Sr4La4Co4O16
_chemical_formula_sum "Sr4 La4 Co4 O16"
_cell_length_a 3.8627761
_cell_length_b 15.026006669999997
_cell_length_c 6.829179679999999
_cell_angle_alpha 80.67448944999998
_cell_angle_beta 106.36904066999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr4La4Co4O16Sr4La4Co4O16Sr4La4Co4O16
_chemical_formula_sum "Sr12 La12 Co12 O48"
_cell_length_a 3.8627761
_cell_length_b 15.026006669999997
_cell_length_c 20.487539039999998
_cell_angle_alpha 80.67448944999998
_cell_angle_beta 106.36904... |
SuperCellAction | d73d1757-ca26-429d-a833-d063e03467d9 | mp-1224390 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural HfAu9
_chemical_formula_sum "Hf1 Au9"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural HfAu9HfAu9HfAu9HfAu9
_chemical_formula_sum "Hf4 Au36"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 37.60250748
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_grou... |
SuperCellAction | 03eb4f7a-b9af-47ad-a874-8db0541863fe | mp-776479 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Ba8Y8I40
_chemical_formula_sum "Ba8 Y8 I40"
_cell_length_a 11.742243
_cell_length_b 13.92138
_cell_length_c 20.307581560000003
_cell_angle_alpha 51.23487621000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ba8Y8I40Ba8Y8I40
_chemical_formula_sum "Ba16 Y16 I80"
_cell_length_a 23.484486
_cell_length_b 13.92138
_cell_length_c 20.307581560000003
_cell_angle_alpha 51.23487621000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 708cf597-be80-4e95-8825-f99b5ecca40f | mp-9855 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural K2Hf2Cu2S6
_chemical_formula_sum "K2 Hf2 Cu2 S6"
_cell_length_a 3.732264
_cell_length_b 7.390573709999999
_cell_length_c 9.762009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 104.62559602000002
_space_group_name_H... | data_image0
_chemical_formula_structural K2Hf2Cu2S6K2Hf2Cu2S6K2Hf2Cu2S6K2Hf2Cu2S6K2Hf2Cu2S6K2Hf2Cu2S6
_chemical_formula_sum "K12 Hf12 Cu12 S36"
_cell_length_a 7.464528
_cell_length_b 22.171721129999998
_cell_length_c 9.762009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 17406928-49e9-48d2-92b9-04934844529b | mp-2240631 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.46033923
_cell_length_b 2.9798687099999994
_cell_length_c 6.017675279999999
_cell_angle_alpha 91.69648976
_cell_angle_beta 101.10467135
_cell_angle_gamma 76.95590099
... | data_image0
_chemical_formula_structural MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6
_chemical_formula_sum "Mg6 Ti6 Co12 O36"
_cell_length_a 6.46033923
_cell_length_b 5.959737419999999
_cell_length_c 18.053025839999997
_cell_angle_alpha 91.69648976
_cell_angle_beta ... |
SuperCellAction | 14abba72-c87e-4d48-ae23-4ad1d54d1bca | mp-1223327 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural La4C2O10
_chemical_formula_sum "La4 C2 O10"
_cell_length_a 4.09957479
_cell_length_b 4.09957479
_cell_length_c 15.98046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.24407791
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural La4C2O10La4C2O10La4C2O10La4C2O10La4C2O10La4C2O10La4C2O10La4C2O10
_chemical_formula_sum "La32 C16 O80"
_cell_length_a 16.39829916
_cell_length_b 8.19914958
_cell_length_c 15.98046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 8d817329-5b45-408c-82f1-c41935502583 | mp-20461 | Create a supercell with the size 3 by 2 by 1. | 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 Ba2Pb2O6Ba2Pb2O6Ba2Pb2O6Ba2Pb2O6Ba2Pb2O6Ba2Pb2O6
_chemical_formula_sum "Ba12 Pb12 O36"
_cell_length_a 18.45109935
_cell_length_b 12.3007329
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000... |
SuperCellAction | 7fa09e79-b66e-40d5-a460-daa174455895 | mp-738612 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Zn2H32C6N16O14
_chemical_formula_sum "Zn2 H32 C6 N16 O14"
_cell_length_a 8.21034901
_cell_length_b 8.210349010000002
_cell_length_c 10.52835642
_cell_angle_alpha 67.70202015
_cell_angle_beta 67.70202015
_cell_angle_gamma 83.08920301... | data_image0
_chemical_formula_structural Zn2H32C6N16O14Zn2H32C6N16O14Zn2H32C6N16O14Zn2H32C6N16O14Zn2H32C6N16O14Zn2H32C6N16O14
_chemical_formula_sum "Zn12 H192 C36 N96 O84"
_cell_length_a 8.21034901
_cell_length_b 24.63104703
_cell_length_c 21.05671284
_cell_angle_alpha 67.7020201... |
SuperCellAction | a55aa0f5-b026-4be3-ada3-7906d2b6d978 | mp-1192032 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 103.6858... | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4NaSr3Be3B3O9F4NaSr3Be3B3O9F4NaSr3Be3B3O9F4NaSr3Be3B3O9F4NaSr3Be3B3O9F4NaSr3Be3B3O9F4NaSr3Be3B3O9F4
_chemical_formula_sum "Na8 Sr24 Be24 B24 O72 F32"
_cell_length_a 13.52327364
_cell_length_b 13.523273639999998
_cell_length_c 13.... |
SuperCellAction | d0d9c2e0-4d8a-4f6a-a23e-50c411d2a78a | mp-1203429 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Tm8B24Os4
_chemical_formula_sum "Tm8 B24 Os4"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_group_name... | data_image0
_chemical_formula_structural Tm8B24Os4Tm8B24Os4Tm8B24Os4Tm8B24Os4Tm8B24Os4Tm8B24Os4
_chemical_formula_sum "Tm48 B144 Os24"
_cell_length_a 10.835499480000001
_cell_length_b 9.05426635
_cell_length_c 22.83426282
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.0000... |
SuperCellAction | 7802f23a-0f61-478d-a1e4-d7504eade6ab | mp-1101765 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Bi4Rh4Se4
_chemical_formula_sum "Bi4 Rh4 Se4"
_cell_length_a 6.34286969
_cell_length_b 6.34286969
_cell_length_c 6.34286969
_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 Bi4Rh4Se4Bi4Rh4Se4Bi4Rh4Se4Bi4Rh4Se4
_chemical_formula_sum "Bi16 Rh16 Se16"
_cell_length_a 6.34286969
_cell_length_b 25.37147876
_cell_length_c 6.34286969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 200b0b00-1389-4657-b554-56dd4db22516 | mp-21286 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn4Co4Ge4Mn4Co4Ge4Mn4Co4Ge4Mn4Co4Ge4Mn4Co4Ge4Mn4Co4Ge4
_chemical_formula_sum "Mn24 Co24 Ge24"
_cell_length_a 11.47155588
_cell_length_b 11.8074152
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 2ab494e4-b322-41fa-9699-c865dee9bedb | mp-31027 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Sc12Re8Si16
_chemical_formula_sum "Sc12 Re8 Si16"
_cell_length_a 10.15633872
_cell_length_b 10.15633872
_cell_length_c 13.69314321
_cell_angle_alpha 55.95864628999999
_cell_angle_beta 55.95864628999999
_cell_angle_gamma 30.586560140... | data_image0
_chemical_formula_structural Sc12Re8Si16Sc12Re8Si16Sc12Re8Si16Sc12Re8Si16
_chemical_formula_sum "Sc48 Re32 Si64"
_cell_length_a 20.31267744
_cell_length_b 20.31267744
_cell_length_c 13.69314321
_cell_angle_alpha 55.95864628999999
_cell_angle_beta 55.95864628999999... |
SuperCellAction | c607f349-b763-48b7-93e8-66636932e2e8 | mp-1219272 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4Sm4CrFe33C4Sm4CrFe33C4Sm4CrFe33C4
_chemical_formula_sum "Sm16 Cr4 Fe132 C16"
_cell_length_a 13.00807278
_cell_length_b 6.48021192
_cell_length_c 26.01269594
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_ang... |
SuperCellAction | 68244cc2-88c5-4f58-8fab-f02f1f1632ff | mp-1191177 | Create a supercell with the size 1X1X3. | 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 Tb4Co14B6Tb4Co14B6Tb4Co14B6
_chemical_formula_sum "Tb12 Co42 B18"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 38.17727999999999
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.... |
SuperCellAction | a86879fb-854a-4646-8dd7-87c932b43392 | mp-753244 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2Mn4F18Li2Mn4F18Li2Mn4F18Li2Mn4F18Li2Mn4F18Li2Mn4F18
_chemical_formula_sum "Li12 Mn24 F108"
_cell_length_a 5.222341
_cell_length_b 10.52099074
_cell_length_c 43.79454459
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.5859197600000... |
SuperCellAction | df8e2452-60f3-41d2-8bc4-b3200e6ffc21 | mp-600039 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Si24O48
_chemical_formula_sum "Si24 O48"
_cell_length_a 15.8848319
_cell_length_b 9.52246335
_cell_length_c 8.55610682
_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 Si24O48Si24O48Si24O48Si24O48Si24O48Si24O48Si24O48Si24O48
_chemical_formula_sum "Si192 O384"
_cell_length_a 15.8848319
_cell_length_b 19.0449267
_cell_length_c 34.22442728
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | aad76490-ece1-4464-8f7c-d098c39d9970 | mp-19488 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Rb8Mn4S4O16F12
_chemical_formula_sum "Rb8 Mn4 S4 O16 F12"
_cell_length_a 11.366418
_cell_length_b 7.482206
_cell_length_c 8.94542962
_cell_angle_alpha 86.77934557999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Rb8Mn4S4O16F12Rb8Mn4S4O16F12Rb8Mn4S4O16F12Rb8Mn4S4O16F12Rb8Mn4S4O16F12Rb8Mn4S4O16F12Rb8Mn4S4O16F12Rb8Mn4S4O16F12
_chemical_formula_sum "Rb64 Mn32 S32 O128 F96"
_cell_length_a 22.732836
_cell_length_b 14.964412
_cell_length_c 17.89085924
_cell... |
SuperCellAction | 71ef02a2-388a-4dc0-881e-53116ae56ec2 | mp-1211033 | Create a supercell with the size 1X1X2. | 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 Lu12In2Fe3Lu12In2Fe3
_chemical_formula_sum "Lu24 In4 Fe6"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 16.31505622
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.621130470000... |
SuperCellAction | 60cefbfb-6a81-4d56-acd8-551507ebf0ec | mp-1206399 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiVCl6Rb2LiVCl6Rb2LiVCl6
_chemical_formula_sum "Rb6 Li3 V3 Cl18"
_cell_length_a 21.37524597
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999998700000... |
SuperCellAction | 4045fd99-e5c1-4805-9c79-4320d3d27688 | mp-11321 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y6Ta2O14Y6Ta2O14
_chemical_formula_sum "Y12 Ta4 O28"
_cell_length_a 12.89851206
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_nam... |
SuperCellAction | 442235ba-d168-4cc4-8a85-54a9121e74c6 | mp-555706 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Li4Al4Si4H8O20
_chemical_formula_sum "Li4 Al4 Si4 H8 O20"
_cell_length_a 4.796556
_cell_length_b 9.028016
_cell_length_c 11.744496
_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 Li4Al4Si4H8O20Li4Al4Si4H8O20Li4Al4Si4H8O20Li4Al4Si4H8O20
_chemical_formula_sum "Li16 Al16 Si16 H32 O80"
_cell_length_a 19.186224
_cell_length_b 9.028016
_cell_length_c 11.744496
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | f3fb6198-ce94-48cf-9536-ec9ae19471aa | mp-19489 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40
_chemical_formula_sum "Sm24 Co24 B120 O240"
_cell_length_a 15.309026
_cell_length_b 8.746298
_cell_length_c 28.408847730000005
_cell_angle_alpha 86.99432535
_cell_ang... |
SuperCellAction | af1be725-bfff-46b8-a555-4948b436bca9 | mp-556233 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural KAs4ClO6
_chemical_formula_sum "K1 As4 Cl1 O6"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural KAs4ClO6KAs4ClO6KAs4ClO6KAs4ClO6KAs4ClO6KAs4ClO6
_chemical_formula_sum "K6 As24 Cl6 O36"
_cell_length_a 10.50657006
_cell_length_b 5.25328503
_cell_length_c 26.83735986
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | e7d0175d-dbb9-425e-9a14-7200c83b675d | mp-650121 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li12Se6O24Li12Se6O24Li12Se6O24Li12Se6O24Li12Se6O24Li12Se6O24Li12Se6O24Li12Se6O24
_chemical_formula_sum "Li96 Se48 O192"
_cell_length_a 34.53738
_cell_length_b 18.14478994
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_... |
SuperCellAction | f3700ed1-73e2-4759-ad0a-d8456cf2c9e8 | mp-1245725 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Sr12Ni8N16
_chemical_formula_sum "Sr12 Ni8 N16"
_cell_length_a 5.86012
_cell_length_b 9.996389
_cell_length_c 9.445696
_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 Sr12Ni8N16Sr12Ni8N16Sr12Ni8N16Sr12Ni8N16Sr12Ni8N16Sr12Ni8N16Sr12Ni8N16Sr12Ni8N16
_chemical_formula_sum "Sr96 Ni64 N128"
_cell_length_a 11.72024
_cell_length_b 39.985556
_cell_length_c 9.445696
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | a253bfae-ea14-4fbe-8589-ce4c5b52e143 | mp-1173734 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03905514... | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24NaCa3Fe4Si8O24NaCa3Fe4Si8O24NaCa3Fe4Si8O24
_chemical_formula_sum "Na4 Ca12 Fe16 Si32 O96"
_cell_length_a 15.40062818
_cell_length_b 7.700314089999999
_cell_length_c 19.97013986
_cell_angle_alpha 62.79150036
_cell_angle_beta ... |
SuperCellAction | 69329a6d-f8d0-4676-b8f9-efc3b9c5281f | mp-542830 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Mn23C6
_chemical_formula_sum "Mn23 C6"
_cell_length_a 7.42191675
_cell_length_b 7.42191123
_cell_length_c 7.42190135
_cell_angle_alpha 60.00005357000002
_cell_angle_beta 60.00007819000001
_cell_angle_gamma 60.001147960000004
_space... | data_image0
_chemical_formula_structural Mn23C6Mn23C6
_chemical_formula_sum "Mn46 C12"
_cell_length_a 7.42191675
_cell_length_b 14.84382246
_cell_length_c 7.42190135
_cell_angle_alpha 60.00005357000002
_cell_angle_beta 60.00007819000001
_cell_angle_gamma 60.001147960000004... |
SuperCellAction | bbbdb1e6-bbdf-429a-adbb-4ed44b8c2799 | mp-2230054 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural MgCu6O2F10
_chemical_formula_sum "Mg1 Cu6 O2 F10"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.02053913999998
_s... | data_image0
_chemical_formula_structural MgCu6O2F10MgCu6O2F10MgCu6O2F10MgCu6O2F10MgCu6O2F10MgCu6O2F10MgCu6O2F10MgCu6O2F10
_chemical_formula_sum "Mg8 Cu48 O16 F80"
_cell_length_a 31.77979836
_cell_length_b 10.243570859999998
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
... |
SuperCellAction | 606c50f0-66cc-4c7e-871f-e2326e1797cb | mp-2230007 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Cs4MgTi2Ag4S8
_chemical_formula_sum "Cs4 Mg1 Ti2 Ag4 S8"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_group_... | data_image0
_chemical_formula_structural Cs4MgTi2Ag4S8Cs4MgTi2Ag4S8Cs4MgTi2Ag4S8Cs4MgTi2Ag4S8Cs4MgTi2Ag4S8Cs4MgTi2Ag4S8Cs4MgTi2Ag4S8Cs4MgTi2Ag4S8
_chemical_formula_sum "Cs32 Mg8 Ti16 Ag32 S64"
_cell_length_a 25.35627376
_cell_length_b 12.678136880000002
_cell_length_c 13.70134139
_c... |
SuperCellAction | 65e9c384-e81c-406d-aa0b-37bb57c73b13 | mp-31230 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Tl4Cr4O14
_chemical_formula_sum "Tl4 Cr4 O14"
_cell_length_a 7.535238
_cell_length_b 7.744585460000001
_cell_length_c 7.92364084
_cell_angle_alpha 108.10319573
_cell_angle_beta 91.47692726
_cell_angle_gamma 111.17845443000002
_spac... | data_image0
_chemical_formula_structural Tl4Cr4O14Tl4Cr4O14
_chemical_formula_sum "Tl8 Cr8 O28"
_cell_length_a 7.535238
_cell_length_b 15.489170920000001
_cell_length_c 7.92364084
_cell_angle_alpha 108.10319573
_cell_angle_beta 91.47692726
_cell_angle_gamma 111.17845443000... |
SuperCellAction | 0eece206-f5cf-4ebc-8b14-82894f0f6c74 | mp-849387 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu6OF11Cu6OF11Cu6OF11Cu6OF11Cu6OF11Cu6OF11Cu6OF11Cu6OF11
_chemical_formula_sum "Cu48 O8 F88"
_cell_length_a 6.38158582
_cell_length_b 13.70274985
_cell_length_c 18.30234008
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.646647... |
SuperCellAction | 173c1e99-bbd7-4ee9-8ba9-1cc7e0734b3d | mp-1105094 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Tl4Hg4Cl12
_chemical_formula_sum "Tl4 Hg4 Cl12"
_cell_length_a 4.36965245
_cell_length_b 9.24800615
_cell_length_c 14.07342645
_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 Tl4Hg4Cl12Tl4Hg4Cl12Tl4Hg4Cl12Tl4Hg4Cl12
_chemical_formula_sum "Tl16 Hg16 Cl48"
_cell_length_a 4.36965245
_cell_length_b 36.9920246
_cell_length_c 14.07342645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | f2306047-0f00-4c04-a853-bfd170d77ae6 | mp-676712 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Re12Se12Cl12
_chemical_formula_sum "Re12 Se12 Cl12"
_cell_length_a 9.3449135
_cell_length_b 9.34516927
_cell_length_c 11.316750129999999
_cell_angle_alpha 89.99556122
_cell_angle_beta 90.00237911999999
_cell_angle_gamma 103.78862754... | data_image0
_chemical_formula_structural Re12Se12Cl12Re12Se12Cl12Re12Se12Cl12Re12Se12Cl12Re12Se12Cl12Re12Se12Cl12
_chemical_formula_sum "Re72 Se72 Cl72"
_cell_length_a 9.3449135
_cell_length_b 28.03550781
_cell_length_c 22.633500259999998
_cell_angle_alpha 89.99556122
_cell_angle... |
SuperCellAction | 51b2ce0c-65b5-4bc7-a09e-40f0616c3486 | mp-1234848 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural MgAg14Pb6O18
_chemical_formula_sum "Mg1 Ag14 Pb6 O18"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_space_gro... | data_image0
_chemical_formula_structural MgAg14Pb6O18MgAg14Pb6O18MgAg14Pb6O18MgAg14Pb6O18
_chemical_formula_sum "Mg4 Ag56 Pb24 O72"
_cell_length_a 36.35607864
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell... |
SuperCellAction | b9e11d8c-3132-4154-9c4f-1e201b09d10b | mp-757738 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe19Co5O32Fe19Co5O32
_chemical_formula_sum "Fe38 Co10 O64"
_cell_length_a 8.52149173
_cell_length_b 17.042983459999995
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma... |
SuperCellAction | 8fffd34f-7b04-4e4e-a03a-de7b456c2730 | mp-1223619 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Mg4Al4Si16O60
_chemical_formula_sum "Mg4 Al4 Si16 O60"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Al4Si16O60Mg4Al4Si16O60Mg4Al4Si16O60Mg4Al4Si16O60
_chemical_formula_sum "Mg16 Al16 Si64 O240"
_cell_length_a 10.73160354
_cell_length_b 25.69299502
_cell_length_c 18.23494156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 59e93d24-c89c-452b-8a4e-92b43863f11f | mp-23451 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Cs6Cr4Br18
_chemical_formula_sum "Cs6 Cr4 Br18"
_cell_length_a 7.62323495
_cell_length_b 7.62327647
_cell_length_c 19.0983966
_cell_angle_alpha 90.00298197
_cell_angle_beta 89.99842621
_cell_angle_gamma 119.99949748000002
_space_gr... | data_image0
_chemical_formula_structural Cs6Cr4Br18Cs6Cr4Br18Cs6Cr4Br18Cs6Cr4Br18Cs6Cr4Br18Cs6Cr4Br18
_chemical_formula_sum "Cs36 Cr24 Br108"
_cell_length_a 7.62323495
_cell_length_b 22.86982941
_cell_length_c 38.1967932
_cell_angle_alpha 90.00298197
_cell_angle_beta 89.99842... |
SuperCellAction | a75bf2ee-0924-40d1-9ac0-d913aa6c4b62 | mp-1212741 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Eu2Al6B8O24
_chemical_formula_sum "Eu2 Al6 B8 O24"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599
_spa... | data_image0
_chemical_formula_structural Eu2Al6B8O24Eu2Al6B8O24Eu2Al6B8O24Eu2Al6B8O24Eu2Al6B8O24Eu2Al6B8O24
_chemical_formula_sum "Eu12 Al36 B48 O144"
_cell_length_a 17.90075418
_cell_length_b 5.96691806
_cell_length_c 22.570962199999997
_cell_angle_alpha 81.50343243
_cell_angle_... |
SuperCellAction | 7aea197f-dc24-47a1-bf1b-b9e286d9d0dd | mp-1247150 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Li4Mn24N28
_chemical_formula_sum "Li4 Mn24 N28"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn24N28Li4Mn24N28Li4Mn24N28Li4Mn24N28Li4Mn24N28Li4Mn24N28Li4Mn24N28Li4Mn24N28
_chemical_formula_sum "Li32 Mn192 N224"
_cell_length_a 26.00466776
_cell_length_b 22.61924
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 072fff47-fdba-4562-b7dd-ffb082611c91 | mp-861587 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Pr2In8Pd
_chemical_formula_sum "Pr2 In8 Pd1"
_cell_length_a 4.71906071
_cell_length_b 4.71904568
_cell_length_c 12.291611279999998
_cell_angle_alpha 89.99592426
_cell_angle_beta 90.00111952000002
_cell_angle_gamma 90.01682849
_spac... | data_image0
_chemical_formula_structural Pr2In8PdPr2In8PdPr2In8PdPr2In8Pd
_chemical_formula_sum "Pr8 In32 Pd4"
_cell_length_a 9.43812142
_cell_length_b 4.71904568
_cell_length_c 24.583222559999996
_cell_angle_alpha 89.99592426
_cell_angle_beta 90.00111952000002
_cell_angle_ga... |
SuperCellAction | e0809903-ad6f-4c57-9b8e-3babd8e363dc | mp-1224899 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural FeRePb2O6
_chemical_formula_sum "Fe1 Re1 Pb2 O6"
_cell_length_a 5.68562389
_cell_length_b 5.6856238900000005
_cell_length_c 5.68562389
_cell_angle_alpha 119.92988942
_cell_angle_beta 119.92988942
_cell_angle_gamma 90.12147804
_spac... | data_image0
_chemical_formula_structural FeRePb2O6FeRePb2O6FeRePb2O6FeRePb2O6FeRePb2O6FeRePb2O6
_chemical_formula_sum "Fe6 Re6 Pb12 O36"
_cell_length_a 5.68562389
_cell_length_b 11.371247780000001
_cell_length_c 17.05687167
_cell_angle_alpha 119.92988942
_cell_angle_beta 119.... |
SuperCellAction | 690ca54c-4c79-422e-aad3-0d3caa140516 | mp-1214585 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrCu3O6Ba2PrCu3O6Ba2PrCu3O6Ba2PrCu3O6
_chemical_formula_sum "Ba8 Pr4 Cu12 O24"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 48.95648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 7006d7e3-a68a-4f32-a57b-73dc88a25210 | mp-557123 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32
_chemical_formula_sum "Na48 Cu24 Si72 O192"
_cell_length_a 20.821114
_cell_length_b 24.038436
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angl... |
SuperCellAction | 46837ba1-f764-4771-900a-821683e57aa5 | mp-29185 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O6F4Te4O6F4Te4O6F4Te4O6F4
_chemical_formula_sum "Te16 O24 F16"
_cell_length_a 10.29119986
_cell_length_b 12.50129768
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma... |
SuperCellAction | 9fad4f80-7567-41e9-814b-062eff4cfcac | mp-532424 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural K2Al22O34
_chemical_formula_sum "K2 Al22 O34"
_cell_length_a 5.64933404
_cell_length_b 5.64933404
_cell_length_c 23.20832425
_cell_angle_alpha 83.2237268
_cell_angle_beta 83.2237268
_cell_angle_gamma 60.13413613
_space_group_name_H... | data_image0
_chemical_formula_structural K2Al22O34K2Al22O34K2Al22O34
_chemical_formula_sum "K6 Al66 O102"
_cell_length_a 16.94800212
_cell_length_b 5.64933404
_cell_length_c 23.20832425
_cell_angle_alpha 83.2237268
_cell_angle_beta 83.2237268
_cell_angle_gamma 60.13413613
... |
SuperCellAction | afc1a2de-21ba-4ab0-9f51-e8c53c3311b2 | mp-976118 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Hg2H12I6N2O2
_chemical_formula_sum "Hg2 H12 I6 N2 O2"
_cell_length_a 7.38594597
_cell_length_b 7.38594597
_cell_length_c 9.046789620000002
_cell_angle_alpha 88.57508227
_cell_angle_beta 88.57508227
_cell_angle_gamma 81.43844644
_sp... | data_image0
_chemical_formula_structural Hg2H12I6N2O2Hg2H12I6N2O2Hg2H12I6N2O2Hg2H12I6N2O2Hg2H12I6N2O2Hg2H12I6N2O2Hg2H12I6N2O2Hg2H12I6N2O2
_chemical_formula_sum "Hg16 H96 I48 N16 O16"
_cell_length_a 14.77189194
_cell_length_b 7.38594597
_cell_length_c 36.18715848000001
_cell_angle_al... |
SuperCellAction | e45ec6f3-900c-4f2b-ba79-574c18e9d25d | mp-1218673 | Create a supercell with the size 2x3x1. | 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 Sr4Zn51Sr4Zn51Sr4Zn51Sr4Zn51Sr4Zn51Sr4Zn51
_chemical_formula_sum "Sr24 Zn306"
_cell_length_a 29.9219351
_cell_length_b 44.88290265
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001... |
SuperCellAction | cdc08829-2e7d-4896-a8b8-a0def4d48ddb | mp-1189919 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Li3P3O12
_chemical_formula_sum "Li3 P3 O12"
_cell_length_a 7.48802157
_cell_length_b 7.48802157
_cell_length_c 7.488021340000001
_cell_angle_alpha 114.25624954000001
_cell_angle_beta 114.25624954
_cell_angle_gamma 114.25623792
_spa... | data_image0
_chemical_formula_structural Li3P3O12Li3P3O12Li3P3O12
_chemical_formula_sum "Li9 P9 O36"
_cell_length_a 7.48802157
_cell_length_b 7.48802157
_cell_length_c 22.464064020000002
_cell_angle_alpha 114.25624954000001
_cell_angle_beta 114.25624954
_cell_angle_gamma 1... |
SuperCellAction | c17fd714-76cc-433b-84ee-75ea3ef77217 | mp-558681 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16
_chemical_formula_sum "P48 Cl48 O48 F96"
_cell_length_a 11.1059149
_cell_length_b 29.72384964
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | ecd31dfc-f90a-4f4e-9975-3f2aaa253d72 | mp-542012 | Create a supercell with the size 2*4*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 Rb8Hf6S28Rb8Hf6S28Rb8Hf6S28Rb8Hf6S28Rb8Hf6S28Rb8Hf6S28Rb8Hf6S28Rb8Hf6S28
_chemical_formula_sum "Rb64 Hf48 S224"
_cell_length_a 23.37043032
_cell_length_b 46.74086064000001
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.261198540000... |
SuperCellAction | 46f4085b-d87a-4744-b009-d03456103425 | mp-19489 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40Sm4Co4B20O40
_chemical_formula_sum "Sm32 Co32 B160 O320"
_cell_length_a 30.618052
_cell_length_b 17.492596
_cell_length_c 9.469615910000002
_cell_angle_alpha ... |
SuperCellAction | a88f909c-f769-4249-9739-4bf1cde848b0 | mp-24402 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Ca4Al4Si4H4O20
_chemical_formula_sum "Ca4 Al4 Si4 H4 O20"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_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 Ca4Al4Si4H4O20Ca4Al4Si4H4O20Ca4Al4Si4H4O20Ca4Al4Si4H4O20
_chemical_formula_sum "Ca16 Al16 Si16 H16 O80"
_cell_length_a 11.503038
_cell_length_b 7.119977
_cell_length_c 17.210062
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | bc8d72bc-d767-4a6b-a4e9-da392e933211 | mp-861061 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Li4Si6Ni6O20
_chemical_formula_sum "Li4 Si6 Ni6 O20"
_cell_length_a 8.18177174
_cell_length_b 8.18177174
_cell_length_c 10.22695143
_cell_angle_alpha 86.90636598
_cell_angle_beta 86.90636598
_cell_angle_gamma 33.921792270000005
_sp... | data_image0
_chemical_formula_structural Li4Si6Ni6O20Li4Si6Ni6O20Li4Si6Ni6O20
_chemical_formula_sum "Li12 Si18 Ni18 O60"
_cell_length_a 24.54531522
_cell_length_b 8.18177174
_cell_length_c 10.22695143
_cell_angle_alpha 86.90636598
_cell_angle_beta 86.90636598
_cell_angle_gamm... |
SuperCellAction | a88256ae-ba08-434f-8736-d2eb5e21f227 | mp-572465 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24
_chemical_formula_sum "Cr16 Cu16 P32 S96"
_cell_length_a 20.756026
_cell_length_b 5.985366
_cell_length_c 29.0608665
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 8d673efb-14ef-45b0-8a74-a24f6a463ed9 | mp-1044027 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Ca2La2Fe2W2O12
_chemical_formula_sum "Ca2 La2 Fe2 W2 O12"
_cell_length_a 5.64050216
_cell_length_b 8.00577387
_cell_length_c 5.75555461
_cell_angle_alpha 89.84650841
_cell_angle_beta 90.76807382999999
_cell_angle_gamma 89.4459353
_... | data_image0
_chemical_formula_structural Ca2La2Fe2W2O12Ca2La2Fe2W2O12Ca2La2Fe2W2O12Ca2La2Fe2W2O12Ca2La2Fe2W2O12Ca2La2Fe2W2O12
_chemical_formula_sum "Ca12 La12 Fe12 W12 O72"
_cell_length_a 5.64050216
_cell_length_b 24.01732161
_cell_length_c 11.51110922
_cell_angle_alpha 89.846508... |
SuperCellAction | f5293dd9-a24d-446e-8ea8-efcc0480b9b1 | mp-1111119 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural K2YInF6
_chemical_formula_sum "K2 Y1 In1 F6"
_cell_length_a 6.75247661
_cell_length_b 6.752476610000001
_cell_length_c 6.75247661
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural K2YInF6K2YInF6K2YInF6K2YInF6K2YInF6K2YInF6
_chemical_formula_sum "K12 Y6 In6 F36"
_cell_length_a 20.25742983
_cell_length_b 13.504953220000003
_cell_length_c 6.75247661
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.9999999999... |
SuperCellAction | 369534e7-490c-48cc-bea0-a68bd95a4837 | mp-1043709 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Ca2Ti2Sn2P6O24
_chemical_formula_sum "Ca2 Ti2 Sn2 P6 O24"
_cell_length_a 8.98097891
_cell_length_b 8.9809792
_cell_length_c 8.98097933
_cell_angle_alpha 58.52300131
_cell_angle_beta 58.523004359999995
_cell_angle_gamma 58.5230127799... | data_image0
_chemical_formula_structural Ca2Ti2Sn2P6O24Ca2Ti2Sn2P6O24Ca2Ti2Sn2P6O24Ca2Ti2Sn2P6O24Ca2Ti2Sn2P6O24Ca2Ti2Sn2P6O24
_chemical_formula_sum "Ca12 Ti12 Sn12 P36 O144"
_cell_length_a 17.96195782
_cell_length_b 26.9429376
_cell_length_c 8.98097933
_cell_angle_alpha 58.523001... |
SuperCellAction | 2e95369d-f065-4dd5-b80e-8bd78f7fdddc | mp-779533 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 Ba12Br8O8Ba12Br8O8Ba12Br8O8Ba12Br8O8
_chemical_formula_sum "Ba48 Br32 O32"
_cell_length_a 12.734274
_cell_length_b 15.169196
_cell_length_c 19.738796
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 55dac515-5d52-4979-8cb8-26c94df1c827 | mp-1227442 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural Be2BH3O5Be2BH3O5Be2BH3O5Be2BH3O5
_chemical_formula_sum "Be8 B4 H12 O20"
_cell_length_a 8.83427064
_cell_length_b 8.87148334
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.8... |
SuperCellAction | 94feab75-3474-4ee1-b359-db1a76750103 | mp-28481 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural Ti2Cl8O32Ti2Cl8O32
_chemical_formula_sum "Ti4 Cl16 O64"
_cell_length_a 14.73930912
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_... |
SuperCellAction | 22d44f69-58ab-4577-ace1-bad11343f85a | mp-1199329 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural Gd4P4H4C8O24Gd4P4H4C8O24Gd4P4H4C8O24Gd4P4H4C8O24Gd4P4H4C8O24Gd4P4H4C8O24
_chemical_formula_sum "Gd24 P24 H24 C48 O144"
_cell_length_a 16.4002408
_cell_length_b 9.48457093
_cell_length_c 28.45371279
_cell_angle_alpha 65.00064109
_cell_angle... |
SuperCellAction | c4416a48-93f1-4b80-ae8d-dd8e7f6c682a | mp-1180605 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Na2Al2S4O38
_chemical_formula_sum "Na2 Al2 S4 O38"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.456240189... | data_image0
_chemical_formula_structural Na2Al2S4O38Na2Al2S4O38Na2Al2S4O38Na2Al2S4O38Na2Al2S4O38Na2Al2S4O38Na2Al2S4O38Na2Al2S4O38
_chemical_formula_sum "Na16 Al16 S32 O304"
_cell_length_a 11.55504909
_cell_length_b 46.22019636
_cell_length_c 16.59501366
_cell_angle_alpha 87.88790... |
SuperCellAction | 98b48452-014d-4eb7-b761-d890af6f20c3 | mp-22991 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Cs2V2I6
_chemical_formula_sum "Cs2 V2 I6"
_cell_length_a 8.23111885
_cell_length_b 8.23111858
_cell_length_c 6.9510579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.98621892
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cs2V2I6Cs2V2I6Cs2V2I6Cs2V2I6
_chemical_formula_sum "Cs8 V8 I24"
_cell_length_a 16.4622377
_cell_length_b 16.46223716
_cell_length_c 6.9510579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.98621892
_space_group_... |
SuperCellAction | d122fdfc-b364-4da0-90ae-d1433ac9469c | mp-1208371 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl20O4Tl4N8Cl20O4Tl4N8Cl20O4
_chemical_formula_sum "Tl12 N24 Cl60 O12"
_cell_length_a 7.728223
_cell_length_b 32.755902000000006
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | 763a078c-bc60-4a61-b2d6-3a7f6b898840 | mp-1196536 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Np8Se4O36
_chemical_formula_sum "Np8 Se4 O36"
_cell_length_a 6.936237
_cell_length_b 7.026773
_cell_length_c 16.16707673
_cell_angle_alpha 89.58419548
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Np8Se4O36Np8Se4O36Np8Se4O36Np8Se4O36Np8Se4O36Np8Se4O36Np8Se4O36Np8Se4O36
_chemical_formula_sum "Np64 Se32 O288"
_cell_length_a 27.744948
_cell_length_b 14.053546
_cell_length_c 16.16707673
_cell_angle_alpha 89.58419548
_cell_angle_beta ... |
SuperCellAction | 9fcd4d87-ec1b-48ad-99fb-17e02113942b | mp-1196507 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural K36Fe8O32
_chemical_formula_sum "K36 Fe8 O32"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_space_gr... | data_image0
_chemical_formula_structural K36Fe8O32K36Fe8O32K36Fe8O32K36Fe8O32K36Fe8O32K36Fe8O32K36Fe8O32K36Fe8O32
_chemical_formula_sum "K288 Fe64 O256"
_cell_length_a 42.26384584
_cell_length_b 21.13192292
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta... |
SuperCellAction | bb32b77c-a4e0-403a-bd72-da1bfda287c4 | mp-34376 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Tb4Cd2S8
_chemical_formula_sum "Tb4 Cd2 S8"
_cell_length_a 7.30690212
_cell_length_b 7.30690212
_cell_length_c 7.30690212
_cell_angle_alpha 110.44193812999998
_cell_angle_beta 110.44193812999998
_cell_angle_gamma 107.54675677
_spac... | data_image0
_chemical_formula_structural Tb4Cd2S8Tb4Cd2S8Tb4Cd2S8Tb4Cd2S8
_chemical_formula_sum "Tb16 Cd8 S32"
_cell_length_a 29.22760848
_cell_length_b 7.30690212
_cell_length_c 7.30690212
_cell_angle_alpha 110.44193812999998
_cell_angle_beta 110.44193812999998
_cell_angle_g... |
SuperCellAction | 0e1d07d9-580e-4573-8081-b407effd110e | mp-765621 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural V4F20
_chemical_formula_sum "V4 F20"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_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 V4F20V4F20V4F20V4F20V4F20V4F20V4F20V4F20
_chemical_formula_sum "V32 F160"
_cell_length_a 52.22638076
_cell_length_b 10.75377332
_cell_length_c 4.87872772
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 84200594-56a3-4b69-b27c-2482d0761f28 | mp-1029491 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Cs4Co4N4
_chemical_formula_sum "Cs4 Co4 N4"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_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 Cs4Co4N4Cs4Co4N4Cs4Co4N4Cs4Co4N4Cs4Co4N4Cs4Co4N4Cs4Co4N4Cs4Co4N4
_chemical_formula_sum "Cs32 Co32 N32"
_cell_length_a 7.038992
_cell_length_b 14.54937
_cell_length_c 21.066406
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | e852b3c8-7f5d-4ca5-a720-b655937ee821 | mp-1195683 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Na10Lu2H8C8O28
_chemical_formula_sum "Na10 Lu2 H8 C8 O28"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_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 Na10Lu2H8C8O28Na10Lu2H8C8O28
_chemical_formula_sum "Na20 Lu4 H16 C16 O56"
_cell_length_a 7.645634
_cell_length_b 15.291268
_cell_length_c 11.670033
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | b29f4581-b611-4cb0-b41a-f3376c635f86 | mp-753328 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Li5Mn3Co2O10
_chemical_formula_sum "Li5 Mn3 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_grou... | data_image0
_chemical_formula_structural Li5Mn3Co2O10Li5Mn3Co2O10Li5Mn3Co2O10Li5Mn3Co2O10
_chemical_formula_sum "Li20 Mn12 Co8 O40"
_cell_length_a 10.479642
_cell_length_b 10.50125722
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell... |
SuperCellAction | 033b96f3-1d85-4217-a224-1a21c76dc0a4 | mp-19414 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural K6Cr2O8
_chemical_formula_sum "K6 Cr2 O8"
_cell_length_a 6.14423983
_cell_length_b 8.50865562
_cell_length_c 6.14424008
_cell_angle_alpha 89.99999225
_cell_angle_beta 89.99999519
_cell_angle_gamma 89.99998945
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K6Cr2O8K6Cr2O8
_chemical_formula_sum "K12 Cr4 O16"
_cell_length_a 6.14423983
_cell_length_b 8.50865562
_cell_length_c 12.28848016
_cell_angle_alpha 89.99999225
_cell_angle_beta 89.99999519
_cell_angle_gamma 89.99998945
_space_group... |
SuperCellAction | fb12721a-9e80-4230-a413-e55887b1a07c | mp-760060 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Sb8S16O64
_chemical_formula_sum "Sb8 S16 O64"
_cell_length_a 9.379545
_cell_length_b 9.548574
_cell_length_c 14.133053
_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 Sb8S16O64Sb8S16O64
_chemical_formula_sum "Sb16 S32 O128"
_cell_length_a 9.379545
_cell_length_b 19.097148
_cell_length_c 14.133053
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SuperCellAction | 637bdbc7-62fc-44ef-8c10-c04d80675758 | mp-760233 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Mn2CrNi3P6O24
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837645
_... | data_image0
_chemical_formula_structural Mn2CrNi3P6O24Mn2CrNi3P6O24Mn2CrNi3P6O24Mn2CrNi3P6O24Mn2CrNi3P6O24Mn2CrNi3P6O24Mn2CrNi3P6O24Mn2CrNi3P6O24
_chemical_formula_sum "Mn16 Cr8 Ni24 P48 O192"
_cell_length_a 17.12501066
_cell_length_b 34.25002132
_cell_length_c 8.562505219999998
_ce... |
SuperCellAction | 4f91a76b-bd95-41f1-9acf-802b8b3e8c47 | mp-2240560 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6
_chemical_formula_sum "Mg8 Ti8 Co16 O48"
_cell_length_a 13.47373174
_cell_length_b 6.029076140000001
_cell_length_c 11.606917919999999
_cell_angle_alpha 75.93404697
_... |
SuperCellAction | 56790fa6-aa3c-4fea-9f03-d11e8195951b | mp-818536 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Ce2Cr4O20
_chemical_formula_sum "Ce2 Cr4 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ce2Cr4O20Ce2Cr4O20Ce2Cr4O20
_chemical_formula_sum "Ce6 Cr12 O60"
_cell_length_a 32.765622
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | 95f41d3b-e49c-4a19-97d0-4bb39687c829 | mp-1212516 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... | data_image0
_chemical_formula_structural H24C4S4N12O12H24C4S4N12O12H24C4S4N12O12H24C4S4N12O12H24C4S4N12O12H24C4S4N12O12
_chemical_formula_sum "H144 C24 S24 N72 O72"
_cell_length_a 22.95857955
_cell_length_b 7.65285985
_cell_length_c 25.938538
_cell_angle_alpha 90.0
_cell_angle_be... |
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