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 | 116f848f-a71c-491e-a8d6-d51fdebbed08 | mp-1102507 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Nd4Mn8
_chemical_formula_sum "Nd4 Mn8"
_cell_length_a 5.25096293
_cell_length_b 5.25096293
_cell_length_c 8.847382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.69185823
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Nd4Mn8Nd4Mn8Nd4Mn8
_chemical_formula_sum "Nd12 Mn24"
_cell_length_a 5.25096293
_cell_length_b 15.75288879
_cell_length_c 8.847382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.69185823
_space_group_name_H-M_alt... |
SuperCellAction | 8b2058af-08e8-4def-85dd-b48605153d1b | mp-28408 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural K4Tc4Cl12
_chemical_formula_sum "K4 Tc4 Cl12"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
... | data_image0
_chemical_formula_structural K4Tc4Cl12K4Tc4Cl12K4Tc4Cl12K4Tc4Cl12K4Tc4Cl12K4Tc4Cl12
_chemical_formula_sum "K24 Tc24 Cl72"
_cell_length_a 16.65990716
_cell_length_b 8.32995358
_cell_length_c 27.18063375
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.368344... |
SuperCellAction | 5b8a27b9-b0c2-4ea2-85a1-a949a4acc9e4 | mp-1106104 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Al2I6N10
_chemical_formula_sum "Al2 I6 N10"
_cell_length_a 7.5444443
_cell_length_b 7.5444443
_cell_length_c 7.84713676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 125.33569956
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al2I6N10Al2I6N10Al2I6N10Al2I6N10Al2I6N10Al2I6N10
_chemical_formula_sum "Al12 I36 N60"
_cell_length_a 15.0888886
_cell_length_b 22.633332900000003
_cell_length_c 7.84713676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 0adfeaba-cceb-4a9e-931b-c0e25c4a59b7 | mp-1203797 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Nd26B8O52
_chemical_formula_sum "Nd26 B8 O52"
_cell_length_a 12.775934
_cell_length_b 6.799471
_cell_length_c 14.426337179999999
_cell_angle_alpha 80.3467461
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd26B8O52Nd26B8O52Nd26B8O52Nd26B8O52Nd26B8O52Nd26B8O52
_chemical_formula_sum "Nd156 B48 O312"
_cell_length_a 12.775934
_cell_length_b 20.398412999999998
_cell_length_c 28.852674359999998
_cell_angle_alpha 80.3467461
_cell_angle_beta 90... |
SuperCellAction | 1fe307f1-31af-4d98-8f6e-8255b22fc178 | mp-759828 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20
_chemical_formula_sum "Li12 Mn12 V12 P24 H24 O120"
_cell_length_a 10.488608
_cell_length_b 22.05528309
_cell_length_c 10.12545201
_cell_angle_alpha ... |
SuperCellAction | 5e1be306-339d-400a-be48-93ad877856f5 | mp-580525 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 Dy12Ni12Sn24Dy12Ni12Sn24Dy12Ni12Sn24
_chemical_formula_sum "Dy36 Ni36 Sn72"
_cell_length_a 13.323639
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | a07dbee1-d55a-4dae-8df9-6ed7c3f36b5e | mp-1175149 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Li7Mn4CoO12
_chemical_formula_sum "Li7 Mn4 Co1 O12"
_cell_length_a 5.90637818
_cell_length_b 5.94372961
_cell_length_c 6.47153345
_cell_angle_alpha 103.60947684000001
_cell_angle_beta 104.56002002
_cell_angle_gamma 87.4318284
_spac... | data_image0
_chemical_formula_structural Li7Mn4CoO12Li7Mn4CoO12
_chemical_formula_sum "Li14 Mn8 Co2 O24"
_cell_length_a 11.81275636
_cell_length_b 5.94372961
_cell_length_c 6.47153345
_cell_angle_alpha 103.60947684000001
_cell_angle_beta 104.56002002
_cell_angle_gamma 87.4... |
SuperCellAction | 71949963-cc34-4e14-8e43-c4b6e763ab9b | mp-1033833 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7CsRbMg6O7
_chemical_formula_sum "Cs8 Rb8 Mg48 O56"
_cell_length_a 16.03142314
_cell_length_b 20.46214164
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | 8f98f1b0-b00f-4858-bd4b-e7fe9c28baa5 | mp-768385 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Ba8Y4Br28
_chemical_formula_sum "Ba8 Y4 Br28"
_cell_length_a 18.238748
_cell_length_b 7.685806
_cell_length_c 14.66278223
_cell_angle_alpha 58.734098530000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8Y4Br28Ba8Y4Br28Ba8Y4Br28
_chemical_formula_sum "Ba24 Y12 Br84"
_cell_length_a 18.238748
_cell_length_b 23.057418000000002
_cell_length_c 14.66278223
_cell_angle_alpha 58.734098530000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | bc40b657-f0f9-4391-8132-ade317c35d13 | mp-1022085 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Mg12Cu2B2
_chemical_formula_sum "Mg12 Cu2 B2"
_cell_length_a 4.488917
_cell_length_b 6.402117
_cell_length_c 10.176511
_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 Mg12Cu2B2Mg12Cu2B2Mg12Cu2B2Mg12Cu2B2Mg12Cu2B2Mg12Cu2B2Mg12Cu2B2Mg12Cu2B2
_chemical_formula_sum "Mg96 Cu16 B16"
_cell_length_a 8.977834
_cell_length_b 6.402117
_cell_length_c 40.706044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 1d74826b-d6d7-4d6c-a2b8-2df5e49e25a5 | mp-1272815 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Sr4Co4O12
_chemical_formula_sum "Sr4 Co4 O12"
_cell_length_a 5.49019555
_cell_length_b 6.73615954
_cell_length_c 6.73608611
_cell_angle_alpha 70.94369734
_cell_angle_beta 90.0001565
_cell_angle_gamma 90.00014446
_space_group_name_H... | data_image0
_chemical_formula_structural Sr4Co4O12Sr4Co4O12Sr4Co4O12Sr4Co4O12Sr4Co4O12Sr4Co4O12
_chemical_formula_sum "Sr24 Co24 O72"
_cell_length_a 5.49019555
_cell_length_b 20.20847862
_cell_length_c 13.47217222
_cell_angle_alpha 70.94369734
_cell_angle_beta 90.0001565
_cel... |
SuperCellAction | 85ed9692-ae0f-4fe6-b21c-dcd3f0b98b36 | mp-722245 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural K8H8C8S8N8O4
_chemical_formula_sum "K8 H8 C8 S8 N8 O4"
_cell_length_a 8.118295
_cell_length_b 9.880075
_cell_length_c 10.361205
_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 K8H8C8S8N8O4K8H8C8S8N8O4K8H8C8S8N8O4
_chemical_formula_sum "K24 H24 C24 S24 N24 O12"
_cell_length_a 8.118295
_cell_length_b 29.640225
_cell_length_c 10.361205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | e720b17b-fa22-442b-a387-90f377cc9237 | mp-1046251 | Create a supercell with the size 4*1*1. | 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 Ta4Zn4W2O16Ta4Zn4W2O16Ta4Zn4W2O16Ta4Zn4W2O16
_chemical_formula_sum "Ta16 Zn16 W8 O64"
_cell_length_a 21.377588
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_... |
SuperCellAction | d8efab78-7b90-4048-90c7-d2bc00d74985 | mp-849612 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Li2Fe8B8O24
_chemical_formula_sum "Li2 Fe8 B8 O24"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702683000... | data_image0
_chemical_formula_structural Li2Fe8B8O24Li2Fe8B8O24Li2Fe8B8O24Li2Fe8B8O24Li2Fe8B8O24Li2Fe8B8O24
_chemical_formula_sum "Li12 Fe48 B48 O144"
_cell_length_a 10.515706
_cell_length_b 5.25818243
_cell_length_c 60.48682955999999
_cell_angle_alpha 89.95562184000002
_cell_ang... |
SuperCellAction | 100aa129-2df3-4368-87c6-f89dcb1b49e9 | mp-768242 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Pt4O12
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_nu... | data_image0
_chemical_formula_structural Pt4O12Pt4O12Pt4O12Pt4O12
_chemical_formula_sum "Pt16 O48"
_cell_length_a 9.85726
_cell_length_b 10.054956
_cell_length_c 7.210065
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SuperCellAction | 75a68442-6842-43d1-83c3-77df56ee2442 | mp-1216937 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Ti4Nb4H4O20
_chemical_formula_sum "Ti4 Nb4 H4 O20"
_cell_length_a 3.817738
_cell_length_b 6.581201
_cell_length_c 16.933684
_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 Ti4Nb4H4O20Ti4Nb4H4O20Ti4Nb4H4O20Ti4Nb4H4O20
_chemical_formula_sum "Ti16 Nb16 H16 O80"
_cell_length_a 15.270952
_cell_length_b 6.581201
_cell_length_c 16.933684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | 59493cc4-e7bb-4842-9eec-75e5b7201268 | mp-1552 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Mo8C4
_chemical_formula_sum "Mo8 C4"
_cell_length_a 4.7285431
_cell_length_b 5.20975702
_cell_length_c 6.05260249
_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_I... | data_image0
_chemical_formula_structural Mo8C4Mo8C4Mo8C4Mo8C4Mo8C4Mo8C4Mo8C4Mo8C4
_chemical_formula_sum "Mo64 C32"
_cell_length_a 9.4570862
_cell_length_b 5.20975702
_cell_length_c 24.21040996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | d370b38b-b16a-4910-a7dd-f2d566a8f5f2 | mp-1223619 | Create a supercell with the size 1*1*2. | 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 Mg4Al4Si16O60Mg4Al4Si16O60
_chemical_formula_sum "Mg8 Al8 Si32 O120"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 36.46988312
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 2a076f6f-f1e5-49f5-9ecc-647420fc1848 | mp-2217073 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural MgTi3O6
_chemical_formula_sum "Mg1 Ti3 O6"
_cell_length_a 5.13118942
_cell_length_b 7.32673673
_cell_length_c 2.93737545
_cell_angle_alpha 78.42218677
_cell_angle_beta 90.06910925
_cell_angle_gamma 89.62369234000002
_space_group_na... | data_image0
_chemical_formula_structural MgTi3O6MgTi3O6MgTi3O6MgTi3O6MgTi3O6MgTi3O6MgTi3O6MgTi3O6
_chemical_formula_sum "Mg8 Ti24 O48"
_cell_length_a 20.52475768
_cell_length_b 7.32673673
_cell_length_c 5.8747509
_cell_angle_alpha 78.42218677
_cell_angle_beta 90.06910925
_cel... |
SuperCellAction | ac185413-f5dd-4753-9e1d-3585dcb9ad4d | mp-757162 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Bi6O8F2
_chemical_formula_sum "Bi6 O8 F2"
_cell_length_a 5.854082
_cell_length_b 5.765438
_cell_length_c 9.08894986
_cell_angle_alpha 80.93159899
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Bi6O8F2Bi6O8F2Bi6O8F2
_chemical_formula_sum "Bi18 O24 F6"
_cell_length_a 5.854082
_cell_length_b 17.296314
_cell_length_c 9.08894986
_cell_angle_alpha 80.93159899
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | 10556ee9-e68e-4647-8192-5ebe7f415657 | mp-1104064 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Zn2H2I2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_... | data_image0
_chemical_formula_structural Zn2H2I2O8Zn2H2I2O8Zn2H2I2O8Zn2H2I2O8
_chemical_formula_sum "Zn8 H8 I8 O32"
_cell_length_a 21.962484
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma ... |
SuperCellAction | 00081267-4d03-4e56-92ee-e4c687192561 | mp-549058 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4Ba4Fe4Se4O2F4Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba12 Fe12 Se12 O6 F12"
_cell_length_a 12.797512470000001
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.997139... |
SuperCellAction | be9a0d6a-b08a-48ac-b92c-b2181192cf61 | mp-1519666 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Sr2CeZrO6
_chemical_formula_sum "Sr2 Ce1 Zr1 O6"
_cell_length_a 6.10087518
_cell_length_b 6.100875180000001
_cell_length_c 6.10087518
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... | data_image0
_chemical_formula_structural Sr2CeZrO6Sr2CeZrO6Sr2CeZrO6Sr2CeZrO6Sr2CeZrO6Sr2CeZrO6Sr2CeZrO6Sr2CeZrO6
_chemical_formula_sum "Sr16 Ce8 Zr8 O48"
_cell_length_a 24.40350072
_cell_length_b 6.100875180000001
_cell_length_c 12.20175036
_cell_angle_alpha 59.99999999999999
_c... |
SuperCellAction | 752cefe8-74f9-408e-afce-9ba4f274f433 | mp-1246950 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnC8N6MnC8N6
_chemical_formula_sum "Mn2 C16 N12"
_cell_length_a 5.6918229
_cell_length_b 14.45951902
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036... |
SuperCellAction | 853e72e8-717b-4d8b-9bcb-07e928bc23a1 | mp-18133 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Zr8Co16P12
_chemical_formula_sum "Zr8 Co16 P12"
_cell_length_a 12.01426533
_cell_length_b 12.0152633
_cell_length_c 3.65191901
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99873488999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Zr8Co16P12Zr8Co16P12Zr8Co16P12Zr8Co16P12
_chemical_formula_sum "Zr32 Co64 P48"
_cell_length_a 12.01426533
_cell_length_b 12.0152633
_cell_length_c 14.60767604
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.998734... |
SuperCellAction | ff17049a-d36f-4be0-a96e-41f90adf4b9c | mp-569862 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P4Se18Rb8P4Se18Rb8P4Se18
_chemical_formula_sum "Rb24 P12 Se54"
_cell_length_a 21.676498589999998
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_ce... |
SuperCellAction | f6617140-0849-4714-a4be-7cb8997316c4 | mp-868007 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Li3CuNi3O8
_chemical_formula_sum "Li3 Cu1 Ni3 O8"
_cell_length_a 5.8360728
_cell_length_b 5.8360728
_cell_length_c 5.83607304
_cell_angle_alpha 59.329335500000006
_cell_angle_beta 59.32933549999999
_cell_angle_gamma 59.3293311699999... | data_image0
_chemical_formula_structural Li3CuNi3O8Li3CuNi3O8Li3CuNi3O8Li3CuNi3O8
_chemical_formula_sum "Li12 Cu4 Ni12 O32"
_cell_length_a 11.6721456
_cell_length_b 5.8360728
_cell_length_c 11.67214608
_cell_angle_alpha 59.329335500000006
_cell_angle_beta 59.32933549999999
_c... |
SuperCellAction | 83a26e09-0c7c-4740-9fb3-5466b2c4424f | mp-1190284 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Bi8Se9
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... | data_image0
_chemical_formula_structural Bi8Se9Bi8Se9Bi8Se9Bi8Se9Bi8Se9Bi8Se9Bi8Se9Bi8Se9
_chemical_formula_sum "Bi64 Se72"
_cell_length_a 16.82419876
_cell_length_b 4.20604969
_cell_length_c 68.64787716
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_g... |
SuperCellAction | 2bb58fde-b886-43a3-85bf-81d2176a24ef | mp-505098 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Fe8Se12O48
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Fe8Se12O48Fe8Se12O48Fe8Se12O48Fe8Se12O48Fe8Se12O48Fe8Se12O48
_chemical_formula_sum "Fe48 Se72 O288"
_cell_length_a 8.93422158
_cell_length_b 17.14090894
_cell_length_c 43.744495470000004
_cell_angle_alpha 55.32907682
_cell_angle_beta 9... |
SuperCellAction | d7ffdac0-ff26-49b6-8d04-f60ae675db37 | mp-768070 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Na8Ni4P4C4O28
_chemical_formula_sum "Na8 Ni4 P4 C4 O28"
_cell_length_a 10.09848388
_cell_length_b 10.32168703
_cell_length_c 6.66640153
_cell_angle_alpha 90.48000207
_cell_angle_beta 90.24369472999999
_cell_angle_gamma 60.59041195
... | data_image0
_chemical_formula_structural Na8Ni4P4C4O28Na8Ni4P4C4O28Na8Ni4P4C4O28Na8Ni4P4C4O28Na8Ni4P4C4O28Na8Ni4P4C4O28Na8Ni4P4C4O28Na8Ni4P4C4O28
_chemical_formula_sum "Na64 Ni32 P32 C32 O224"
_cell_length_a 20.19696776
_cell_length_b 41.28674812
_cell_length_c 6.66640153
_cell_angl... |
SuperCellAction | ef384a7e-277c-4013-8a4b-42d755581134 | mp-570258 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Ca6Al4N8
_chemical_formula_sum "Ca6 Al4 N8"
_cell_length_a 6.70681437
_cell_length_b 6.70681437
_cell_length_c 5.49639854
_cell_angle_alpha 88.31770329999999
_cell_angle_beta 88.31770329999999
_cell_angle_gamma 75.76571166
_space_g... | data_image0
_chemical_formula_structural Ca6Al4N8Ca6Al4N8Ca6Al4N8Ca6Al4N8Ca6Al4N8Ca6Al4N8
_chemical_formula_sum "Ca36 Al24 N48"
_cell_length_a 13.41362874
_cell_length_b 6.70681437
_cell_length_c 16.48919562
_cell_angle_alpha 88.31770329999999
_cell_angle_beta 88.317703299999... |
SuperCellAction | 98f27af8-a24c-46ee-b9cb-59949598a085 | mp-20083 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4Sc4Cu4Si4Sc4Cu4Si4Sc4Cu4Si4Sc4Cu4Si4Sc4Cu4Si4
_chemical_formula_sum "Sc24 Cu24 Si24"
_cell_length_a 3.94833885
_cell_length_b 13.06046092
_cell_length_c 21.48154809
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 84ec34ea-5533-48e2-b45e-61d45b7c0f1e | mp-1196873 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Er6Co8Ge26
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 Er6Co8Ge26Er6Co8Ge26Er6Co8Ge26Er6Co8Ge26Er6Co8Ge26Er6Co8Ge26Er6Co8Ge26Er6Co8Ge26
_chemical_formula_sum "Er48 Co64 Ge208"
_cell_length_a 17.527438
_cell_length_b 8.763719
_cell_length_c 35.054876
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | c32e3f18-04aa-4efa-8baf-e00fa968b9b1 | mp-26941 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16Li4Mn4P4O16
_chemical_formula_sum "Li32 Mn32 P32 O128"
_cell_length_a 22.786292
_cell_length_b 6.33341707
_cell_length_c 18.641398639999995
_cell_angle_alpha 76.7... |
SuperCellAction | 830d30e7-5413-4e34-8d36-cd9e11887c44 | mp-2231123 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Na4MgTi2Ge2O10
_chemical_formula_sum "Na4 Mg1 Ti2 Ge2 O10"
_cell_length_a 5.8387014
_cell_length_b 6.63496181
_cell_length_c 6.63496181
_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 Na4MgTi2Ge2O10Na4MgTi2Ge2O10Na4MgTi2Ge2O10Na4MgTi2Ge2O10
_chemical_formula_sum "Na16 Mg4 Ti8 Ge8 O40"
_cell_length_a 23.3548056
_cell_length_b 6.63496181
_cell_length_c 6.63496181
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 5e297a9b-e217-47e1-b414-0785a6c1bc77 | mp-1225622 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.38654356
_cell_length_b 5.386450749999999
_cell_length_c 8.523462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 59.771681419999986
_space_group_name_H-... | data_image0
_chemical_formula_structural Er4Al4Fe4Er4Al4Fe4
_chemical_formula_sum "Er8 Al8 Fe8"
_cell_length_a 5.38654356
_cell_length_b 10.772901499999998
_cell_length_c 8.523462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 59.771681419999986
_space_gro... |
SuperCellAction | b91da2b7-faaf-4293-9fbb-dcb404c16c84 | mp-1220943 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Na8Al8Si8O32
_chemical_formula_sum "Na8 Al8 Si8 O32"
_cell_length_a 8.45517465
_cell_length_b 10.06538869
_cell_length_c 10.03117965
_cell_angle_alpha 119.93793984
_cell_angle_beta 90.17036924
_cell_angle_gamma 89.76689811
_space_g... | data_image0
_chemical_formula_structural Na8Al8Si8O32Na8Al8Si8O32Na8Al8Si8O32Na8Al8Si8O32
_chemical_formula_sum "Na32 Al32 Si32 O128"
_cell_length_a 8.45517465
_cell_length_b 10.06538869
_cell_length_c 40.1247186
_cell_angle_alpha 119.93793984
_cell_angle_beta 90.17036924
_ce... |
SuperCellAction | 949cb5e3-e2cc-41e7-81a6-e448e580fcd5 | mp-696656 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural B4H16O8F12B4H16O8F12
_chemical_formula_sum "B8 H32 O16 F24"
_cell_length_a 14.86774
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | 18ab6069-c596-4c1d-b52a-8906aeb48646 | mp-1212741 | Create a supercell with the size 1x4x1. | 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 Eu2Al6B8O24Eu2Al6B8O24Eu2Al6B8O24Eu2Al6B8O24
_chemical_formula_sum "Eu8 Al24 B32 O96"
_cell_length_a 5.96691806
_cell_length_b 23.86767224
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_ce... |
SuperCellAction | c9cd3f48-bbb2-4c9f-893a-13261c6b45bb | mp-1111891 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Na3LuCl6
_chemical_formula_sum "Na3 Lu1 Cl6"
_cell_length_a 7.43056797
_cell_length_b 7.43056797
_cell_length_c 7.43056797
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na3LuCl6Na3LuCl6Na3LuCl6Na3LuCl6Na3LuCl6Na3LuCl6Na3LuCl6Na3LuCl6
_chemical_formula_sum "Na24 Lu8 Cl48"
_cell_length_a 29.72227188
_cell_length_b 7.43056797
_cell_length_c 14.86113594
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | 4a5f1a3e-ce7d-4a37-bd65-63c93afa7858 | mp-1147529 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Ba4Cu3BrO6
_chemical_formula_sum "Ba4 Cu3 Br1 O6"
_cell_length_a 6.92670674
_cell_length_b 6.92670674
_cell_length_c 6.92670674
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ba4Cu3BrO6Ba4Cu3BrO6Ba4Cu3BrO6
_chemical_formula_sum "Ba12 Cu9 Br3 O18"
_cell_length_a 6.92670674
_cell_length_b 20.78012022
_cell_length_c 6.92670674
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 10... |
SuperCellAction | 40ced5b0-fb7b-4178-88cd-09b06319173a | mp-761916 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Na4H16Au4Br16O8
_chemical_formula_sum "Na4 H16 Au4 Br16 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_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 Na4H16Au4Br16O8Na4H16Au4Br16O8Na4H16Au4Br16O8
_chemical_formula_sum "Na12 H48 Au12 Br48 O24"
_cell_length_a 7.60692
_cell_length_b 28.472153999999996
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | e18316ca-e917-4a89-978b-0a8874ba32e5 | mp-15203 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6Li12Ca24W8N32O6Li12Ca24W8N32O6Li12Ca24W8N32O6
_chemical_formula_sum "Li48 Ca96 W32 N128 O24"
_cell_length_a 22.81524136
_cell_length_b 22.815240780000003
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_an... |
SuperCellAction | b96c574d-ee48-450b-8f12-f27c4e3e8970 | mp-30215 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Pr12Mo4O28
_chemical_formula_sum "Pr12 Mo4 O28"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_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 Pr12Mo4O28Pr12Mo4O28
_chemical_formula_sum "Pr24 Mo8 O56"
_cell_length_a 15.2438721
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 57209d97-32aa-479f-89bf-4a69e02c0ba5 | mp-1043069 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... | data_image0
_chemical_formula_structural ZnCr4Cu3O12ZnCr4Cu3O12ZnCr4Cu3O12
_chemical_formula_sum "Zn3 Cr12 Cu9 O36"
_cell_length_a 6.35183077
_cell_length_b 19.0969854
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma... |
SuperCellAction | 96f08f44-af03-467b-a884-b9a34f8cd249 | mp-1173960 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Li6Co4O10
_chemical_formula_sum "Li6 Co4 O10"
_cell_length_a 4.951427
_cell_length_b 5.02580814
_cell_length_c 7.56259108
_cell_angle_alpha 71.79910587
_cell_angle_beta 72.19121182000002
_cell_angle_gamma 79.81802241
_space_group_n... | data_image0
_chemical_formula_structural Li6Co4O10Li6Co4O10Li6Co4O10Li6Co4O10
_chemical_formula_sum "Li24 Co16 O40"
_cell_length_a 4.951427
_cell_length_b 5.02580814
_cell_length_c 30.25036432
_cell_angle_alpha 71.79910587
_cell_angle_beta 72.19121182000002
_cell_angle_gamma ... |
SuperCellAction | 166728d3-61e4-4232-80bd-e23f1fe4938f | mp-1212178 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H36S8O48In4H36S8O48In4H36S8O48In4H36S8O48
_chemical_formula_sum "In16 H144 S32 O192"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 74.943476
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 5beb941b-51f8-4275-aa14-ea1c85a55d8f | mp-1246265 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Co2Ni10N8
_chemical_formula_sum "Co2 Ni10 N8"
_cell_length_a 8.954768
_cell_length_b 5.75865
_cell_length_c 3.969603
_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 Co2Ni10N8Co2Ni10N8Co2Ni10N8Co2Ni10N8Co2Ni10N8Co2Ni10N8Co2Ni10N8Co2Ni10N8
_chemical_formula_sum "Co16 Ni80 N64"
_cell_length_a 8.954768
_cell_length_b 23.0346
_cell_length_c 7.939206
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 2d95ab7b-c5ec-475a-80e9-72b9946b7cc9 | mp-628951 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural V8P8O36
_chemical_formula_sum "V8 P8 O36"
_cell_length_a 7.52725
_cell_length_b 8.549103
_cell_length_c 9.692043
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural V8P8O36V8P8O36V8P8O36V8P8O36V8P8O36V8P8O36
_chemical_formula_sum "V48 P48 O216"
_cell_length_a 22.58175
_cell_length_b 17.098206
_cell_length_c 9.692043
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 23feb266-0277-4df3-8bb4-28d7e7eca4c4 | mp-1235624 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural LiAl2Cu2O6
_chemical_formula_sum "Li1 Al2 Cu2 O6"
_cell_length_a 3.037194
_cell_length_b 3.03719336
_cell_length_c 13.313027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998516999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural LiAl2Cu2O6LiAl2Cu2O6
_chemical_formula_sum "Li2 Al4 Cu4 O12"
_cell_length_a 3.037194
_cell_length_b 6.07438672
_cell_length_c 13.313027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998516999999
_space_group_... |
SuperCellAction | 23401a43-302a-4366-abc0-b7699f63c2e2 | mp-27013 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li18V6P16O58Li18V6P16O58Li18V6P16O58
_chemical_formula_sum "Li54 V18 P48 O174"
_cell_length_a 29.646079139999998
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 75bef08e-6219-4ef7-9625-499394e7f757 | mp-540818 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Tl8Ge8Se20
_chemical_formula_sum "Tl8 Ge8 Se20"
_cell_length_a 11.17155027
_cell_length_b 11.17155027
_cell_length_c 9.12595111
_cell_angle_alpha 78.15865084
_cell_angle_beta 78.15865084
_cell_angle_gamma 89.72956838
_space_group_n... | data_image0
_chemical_formula_structural Tl8Ge8Se20Tl8Ge8Se20Tl8Ge8Se20
_chemical_formula_sum "Tl24 Ge24 Se60"
_cell_length_a 11.17155027
_cell_length_b 33.51465081
_cell_length_c 9.12595111
_cell_angle_alpha 78.15865084
_cell_angle_beta 78.15865084
_cell_angle_gamma 89.72... |
SuperCellAction | fd353cb8-f2af-4401-a51b-ce256a2c8688 | mp-570466 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Li8Ca4
_chemical_formula_sum "Li8 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li8Ca4Li8Ca4Li8Ca4
_chemical_formula_sum "Li24 Ca12"
_cell_length_a 6.19327088
_cell_length_b 18.579806310000002
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574
_space_group_na... |
SuperCellAction | 462f7909-4eed-413a-a3e9-3d2597ce9f33 | mp-27353 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sb12Cl24F36Sb12Cl24F36Sb12Cl24F36Sb12Cl24F36Sb12Cl24F36Sb12Cl24F36Sb12Cl24F36Sb12Cl24F36
_chemical_formula_sum "Sb96 Cl192 F288"
_cell_length_a 10.822464
_cell_length_b 23.86296
_cell_length_c 70.39660756
_cell_angle_alpha 51.34062544
_cel... |
SuperCellAction | e245de72-0f5a-4e3d-818f-c823cf423478 | mp-1200885 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Y16C28
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Y16C28Y16C28Y16C28Y16C28Y16C28Y16C28Y16C28Y16C28
_chemical_formula_sum "Y128 C224"
_cell_length_a 14.822092
_cell_length_b 25.20606114
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma ... |
SuperCellAction | 60fd1c2a-4f16-4bcf-8e81-c037ba0cc6b1 | mp-1201604 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Cd16B8O32
_chemical_formula_sum "Cd16 B8 O32"
_cell_length_a 10.00194764
_cell_length_b 10.00194764
_cell_length_c 10.00194764
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cd16B8O32Cd16B8O32Cd16B8O32Cd16B8O32Cd16B8O32Cd16B8O32Cd16B8O32Cd16B8O32
_chemical_formula_sum "Cd128 B64 O256"
_cell_length_a 10.00194764
_cell_length_b 20.00389528
_cell_length_c 40.00779056
_cell_angle_alpha 59.99999999999999
_cell_angl... |
SuperCellAction | 2f99f7d0-73a9-43b4-9ced-09298ee93925 | mp-764512 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24
_chemical_formula_sum "Li40 Fe64 B64 O192"
_cell_length_a 5.271667
_cell_length_b 36.17515208
_cell_length_c 22.840184960000002
_cell_angle_alpha 113.... |
SuperCellAction | 1c3c14a6-a945-4e02-8a37-f6110d281546 | mp-29057 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb3SBr7Nb3SBr7Nb3SBr7Nb3SBr7Nb3SBr7Nb3SBr7
_chemical_formula_sum "Nb18 S6 Br42"
_cell_length_a 21.539917889999998
_cell_length_b 14.35994508
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 12... |
SuperCellAction | ca5884c1-cc90-4c53-84ec-50c89f46bef5 | mp-1228133 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Ba3Lu2MoO9
_chemical_formula_sum "Ba3 Lu2 Mo1 O9"
_cell_length_a 5.94778682
_cell_length_b 5.94778682
_cell_length_c 7.28242392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000179000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba3Lu2MoO9Ba3Lu2MoO9Ba3Lu2MoO9Ba3Lu2MoO9Ba3Lu2MoO9Ba3Lu2MoO9
_chemical_formula_sum "Ba18 Lu12 Mo6 O54"
_cell_length_a 17.84336046
_cell_length_b 11.89557364
_cell_length_c 7.28242392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 50b6f837-9b96-4f84-bfd4-f042d7e22888 | mp-754693 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Lu2Bi6O12
_chemical_formula_sum "Lu2 Bi6 O12"
_cell_length_a 6.96675965
_cell_length_b 6.966759650000001
_cell_length_c 6.966759500000001
_cell_angle_alpha 93.17896997
_cell_angle_beta 93.17896997
_cell_angle_gamma 93.17895705000001... | data_image0
_chemical_formula_structural Lu2Bi6O12Lu2Bi6O12Lu2Bi6O12Lu2Bi6O12
_chemical_formula_sum "Lu8 Bi24 O48"
_cell_length_a 27.8670386
_cell_length_b 6.966759650000001
_cell_length_c 6.966759500000001
_cell_angle_alpha 93.17896997
_cell_angle_beta 93.17896997
_cell_angl... |
SuperCellAction | 6a4868fc-5250-480e-a3a9-aaf81419a703 | mp-1192677 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI13Cs4Pr6OsI13
_chemical_formula_sum "Cs8 Pr12 Os2 I26"
_cell_length_a 20.30300788
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma ... |
SuperCellAction | afc4c3af-eb7e-4e87-9bc7-5106a08cdef2 | mp-2216729 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Ti6H4O14
_chemical_formula_sum "Ti6 H4 O14"
_cell_length_a 8.43990617
_cell_length_b 8.38281178
_cell_length_c 9.45617311
_cell_angle_alpha 79.47027434
_cell_angle_beta 100.46037404
_cell_angle_gamma 154.07255096000003
_space_group... | data_image0
_chemical_formula_structural Ti6H4O14Ti6H4O14Ti6H4O14Ti6H4O14
_chemical_formula_sum "Ti24 H16 O56"
_cell_length_a 33.75962468
_cell_length_b 8.38281178
_cell_length_c 9.45617311
_cell_angle_alpha 79.47027434
_cell_angle_beta 100.46037404
_cell_angle_gamma 154.0... |
SuperCellAction | 5ff4bdfd-d998-4058-8129-811af2fa8c35 | mp-1195074 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural U8Pb4S20
_chemical_formula_sum "U8 Pb4 S20"
_cell_length_a 7.5826125
_cell_length_b 8.32006419
_cell_length_c 11.79754383
_cell_angle_alpha 89.70337174
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural U8Pb4S20U8Pb4S20U8Pb4S20
_chemical_formula_sum "U24 Pb12 S60"
_cell_length_a 7.5826125
_cell_length_b 8.32006419
_cell_length_c 35.39263149
_cell_angle_alpha 89.70337174
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | e4e1be3a-20c0-4660-9d75-f40d0d923079 | mp-1192677 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI13Cs4Pr6OsI13Cs4Pr6OsI13Cs4Pr6OsI13
_chemical_formula_sum "Cs16 Pr24 Os4 I52"
_cell_length_a 20.30300788
_cell_length_b 20.303007879999996
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.9318... |
SuperCellAction | 2fdece50-1f04-4809-a266-1946650ebeb8 | mp-735521 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Mn4H24O12F12
_chemical_formula_sum "Mn4 H24 O12 F12"
_cell_length_a 8.45010996
_cell_length_b 9.23911177
_cell_length_c 6.39880545
_cell_angle_alpha 90.0
_cell_angle_beta 100.80680500999999
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Mn4H24O12F12Mn4H24O12F12Mn4H24O12F12Mn4H24O12F12Mn4H24O12F12Mn4H24O12F12
_chemical_formula_sum "Mn24 H144 O72 F72"
_cell_length_a 25.350329880000004
_cell_length_b 18.47822354
_cell_length_c 6.39880545
_cell_angle_alpha 90.0
_cell_angle_be... |
SuperCellAction | fbcefca1-5c40-4ccf-99c3-494e883dfa38 | mp-774513 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Li8Ti8Co10O36
_chemical_formula_sum "Li8 Ti8 Co10 O36"
_cell_length_a 2.887169
_cell_length_b 8.984515
_cell_length_c 24.75377
_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 Li8Ti8Co10O36Li8Ti8Co10O36Li8Ti8Co10O36Li8Ti8Co10O36Li8Ti8Co10O36Li8Ti8Co10O36
_chemical_formula_sum "Li48 Ti48 Co60 O216"
_cell_length_a 2.887169
_cell_length_b 26.953545
_cell_length_c 49.50754
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 68bb5ab8-dd83-4b48-8f50-bf1342b70d56 | mp-29717 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_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 Ag4W24Br56Ag4W24Br56Ag4W24Br56Ag4W24Br56Ag4W24Br56Ag4W24Br56Ag4W24Br56Ag4W24Br56
_chemical_formula_sum "Ag32 W192 Br448"
_cell_length_a 13.761003
_cell_length_b 27.522006
_cell_length_c 55.044012
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | b11b578a-a2b5-4b75-b000-450f17db16c5 | mp-557500 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6
_chemical_formula_sum "Li8 Ni8 P16 S48"
_cell_length_a 23.583357
_cell_length_b 11.7916785
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.415... |
SuperCellAction | 824663e2-b6c6-4de5-8662-3164a5861a29 | mp-1217947 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24
_chemical_formula_sum "Ta16 Nb16 Ag32 O96"
_cell_length_a 5.614271
_cell_length_b 11.373456
_cell_length_c 31.703768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | 9582b43f-6aa4-4fce-9c79-70ab5a1de67d | mp-1223746 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural InSb3Pb4O13
_chemical_formula_sum "In1 Sb3 Pb4 O13"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma 60.3... | data_image0
_chemical_formula_structural InSb3Pb4O13InSb3Pb4O13InSb3Pb4O13InSb3Pb4O13InSb3Pb4O13InSb3Pb4O13InSb3Pb4O13InSb3Pb4O13
_chemical_formula_sum "In8 Sb24 Pb32 O104"
_cell_length_a 7.58615153
_cell_length_b 30.34460612
_cell_length_c 15.172301960000002
_cell_angle_alpha 60... |
SuperCellAction | 704a3d43-dbef-417e-a1c4-604a21ffb109 | mp-568053 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Tb4Ga12Pt
_chemical_formula_sum "Tb4 Ga12 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122431
_... | data_image0
_chemical_formula_structural Tb4Ga12PtTb4Ga12PtTb4Ga12PtTb4Ga12PtTb4Ga12PtTb4Ga12Pt
_chemical_formula_sum "Tb24 Ga72 Pt6"
_cell_length_a 7.42054485
_cell_length_b 14.841089759999997
_cell_length_c 22.26163653
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 1... |
SuperCellAction | f72ca672-96c1-48e0-b4e5-9b9b2ce40ae9 | mp-18973 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20Co4Se8O20Co4Se8O20
_chemical_formula_sum "Co12 Se24 O60"
_cell_length_a 18.09752385
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma... |
SuperCellAction | 786c54b1-7a07-44b5-9874-43d16979d23a | mp-1073003 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_gro... | data_image0
_chemical_formula_structural Mg8Si12Mg8Si12Mg8Si12Mg8Si12Mg8Si12Mg8Si12Mg8Si12Mg8Si12
_chemical_formula_sum "Mg64 Si96"
_cell_length_a 21.31198104
_cell_length_b 5.32799526
_cell_length_c 35.84950098
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902... |
SuperCellAction | b8ad84b4-b905-44cb-8087-aec4a7da6639 | mp-753007 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 5.630544
_cell_length_b 5.73634397
_cell_length_c 7.30659204
_cell_angle_alpha 74.02277974
_cell_angle_beta 74.24927185
_cell_angle_gamma 72.42715562
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mn6O5F7Mn6O5F7Mn6O5F7Mn6O5F7Mn6O5F7Mn6O5F7Mn6O5F7Mn6O5F7
_chemical_formula_sum "Mn48 O40 F56"
_cell_length_a 5.630544
_cell_length_b 11.47268794
_cell_length_c 29.22636816
_cell_angle_alpha 74.02277974
_cell_angle_beta 74.24927185
_cel... |
SuperCellAction | 059038cd-1477-4152-b4fd-a88a77637ba3 | mp-1386638 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16
_chemical_formula_sum "Na20 Cu12 P16 O64"
_cell_length_a 5.153311
_cell_length_b 34.00720912
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell... |
SuperCellAction | 4903034a-b9cb-4b67-8904-ef13fe02cc96 | mp-1196375 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Gd2Cd40Ni4
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Gd2Cd40Ni4Gd2Cd40Ni4Gd2Cd40Ni4Gd2Cd40Ni4Gd2Cd40Ni4Gd2Cd40Ni4
_chemical_formula_sum "Gd12 Cd240 Ni24"
_cell_length_a 22.3220487
_cell_length_b 33.483073049999994
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_bet... |
SuperCellAction | ea46b7e5-95c6-40d0-b910-61afddae24c5 | mp-1208324 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Ti8Al12
_chemical_formula_sum "Ti8 Al12"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ti8Al12Ti8Al12Ti8Al12Ti8Al12Ti8Al12Ti8Al12
_chemical_formula_sum "Ti48 Al72"
_cell_length_a 6.118791
_cell_length_b 18.356372999999998
_cell_length_c 20.59290296
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_... |
SuperCellAction | 1557f31d-4e49-476b-99ae-8925671963c0 | mp-1210838 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_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 Mg2P2H12N2O10Mg2P2H12N2O10Mg2P2H12N2O10Mg2P2H12N2O10Mg2P2H12N2O10Mg2P2H12N2O10
_chemical_formula_sum "Mg12 P12 H72 N12 O60"
_cell_length_a 5.398913
_cell_length_b 14.361218
_cell_length_c 30.847935
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | f7805102-af08-4fa2-ac00-fdf37c4ce5d0 | mp-1200095 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr4Np4P8O32Sr4Np4P8O32
_chemical_formula_sum "Sr8 Np8 P16 O64"
_cell_length_a 13.95444996
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_na... |
SuperCellAction | 766b3090-fdac-4c1a-8324-6c76245624b6 | mp-1201951 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Ce4As4O20F4
_chemical_formula_sum "Ce4 As4 O20 F4"
_cell_length_a 7.339404
_cell_length_b 5.309782
_cell_length_c 12.86736704
_cell_angle_alpha 70.94896114
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ce4As4O20F4Ce4As4O20F4Ce4As4O20F4Ce4As4O20F4Ce4As4O20F4Ce4As4O20F4Ce4As4O20F4Ce4As4O20F4
_chemical_formula_sum "Ce32 As32 O160 F32"
_cell_length_a 7.339404
_cell_length_b 21.239128
_cell_length_c 25.73473408
_cell_angle_alpha 70.94896114
_... |
SuperCellAction | 16a39f61-e2ad-47c9-b75a-a8355c26bdd1 | mp-1104551 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural DyZn12
_chemical_formula_sum "Dy1 Zn12"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... | data_image0
_chemical_formula_structural DyZn12DyZn12DyZn12DyZn12DyZn12DyZn12
_chemical_formula_sum "Dy6 Zn72"
_cell_length_a 6.70345637
_cell_length_b 20.11036911
_cell_length_c 13.40691274
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.2... |
SuperCellAction | 34e2874e-d2ef-412a-9176-af506543b26e | mp-29185 | Create a supercell with the size 1x1x3. | 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 Te4O6F4Te4O6F4Te4O6F4
_chemical_formula_sum "Te12 O18 F12"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 20.64977772
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.6... |
SuperCellAction | 0409efe1-592d-49d2-8946-7af600dcf521 | mp-768657 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Li4CrFe3O8
_chemical_formula_sum "Li4 Cr1 Fe3 O8"
_cell_length_a 5.17216
_cell_length_b 5.18489142
_cell_length_c 5.96628079
_cell_angle_alpha 106.75661343999998
_cell_angle_beta 89.98288698000002
_cell_angle_gamma 99.51075713
_spa... | data_image0
_chemical_formula_structural Li4CrFe3O8Li4CrFe3O8
_chemical_formula_sum "Li8 Cr2 Fe6 O16"
_cell_length_a 10.34432
_cell_length_b 5.18489142
_cell_length_c 5.96628079
_cell_angle_alpha 106.75661343999998
_cell_angle_beta 89.98288698000002
_cell_angle_gamma 99.51... |
SuperCellAction | 45421f54-6689-4065-9013-62613266bec7 | mp-780652 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58
_chemical_formula_sum "Li48 V36 P96 O348"
_cell_length_a 9.759701
_cell_length_b 19.5423253
_cell_length_c 42.4754589
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.... |
SuperCellAction | 878889c7-dd2a-4d23-90a0-10fcc862129c | mp-1199497 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Cs4Mo12I28
_chemical_formula_sum "Cs4 Mo12 I28"
_cell_length_a 11.06858183
_cell_length_b 11.06858183
_cell_length_c 16.974737
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4Mo12I28Cs4Mo12I28Cs4Mo12I28Cs4Mo12I28
_chemical_formula_sum "Cs16 Mo48 I112"
_cell_length_a 44.27432732
_cell_length_b 11.06858183
_cell_length_c 16.974737
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.999998... |
SuperCellAction | 0b007663-88f1-45c6-9fbb-2c33a11f498c | mp-2395 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Sb12Rh4
_chemical_formula_sum "Sb12 Rh4"
_cell_length_a 8.06295688
_cell_length_b 8.06295689
_cell_length_c 8.06295614
_cell_angle_alpha 109.47121362999998
_cell_angle_beta 109.47121362
_cell_angle_gamma 109.47122396000002
_space_g... | data_image0
_chemical_formula_structural Sb12Rh4Sb12Rh4Sb12Rh4Sb12Rh4Sb12Rh4Sb12Rh4
_chemical_formula_sum "Sb72 Rh24"
_cell_length_a 24.188870639999998
_cell_length_b 8.06295689
_cell_length_c 16.12591228
_cell_angle_alpha 109.47121362999998
_cell_angle_beta 109.47121362
_cel... |
SuperCellAction | 8bff59c7-e49d-4983-a904-cd6cfeb87897 | mp-1223049 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural La4Br3ClO4
_chemical_formula_sum "La4 Br3 Cl1 O4"
_cell_length_a 8.52979552
_cell_length_b 8.52979552
_cell_length_c 4.158477
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.62807147000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural La4Br3ClO4La4Br3ClO4La4Br3ClO4La4Br3ClO4La4Br3ClO4La4Br3ClO4La4Br3ClO4La4Br3ClO4
_chemical_formula_sum "La32 Br24 Cl8 O32"
_cell_length_a 17.05959104
_cell_length_b 34.11918208
_cell_length_c 4.158477
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | e75e1075-006b-4698-b0b9-b8b392399bab | mp-1075490 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Mg10Si12
_chemical_formula_sum "Mg10 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg10Si12Mg10Si12Mg10Si12Mg10Si12Mg10Si12Mg10Si12Mg10Si12Mg10Si12
_chemical_formula_sum "Mg80 Si96"
_cell_length_a 7.52458
_cell_length_b 7.462234
_cell_length_c 60.65175408
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 62a467a1-96c3-41fc-9fac-d2e9ebbd87a0 | mp-771953 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16Li4Nb2Ni6O16
_chemical_formula_sum "Li32 Nb16 Ni48 O128"
_cell_length_a 23.5048306
_cell_length_b 11.7524153
_cell_length_c 9.636389
_cell_angle_alpha 90.0... |
SuperCellAction | fe87f3d4-5ebb-492c-947d-c98baac3f815 | mp-1199329 | Create a supercell with the size 2*2*1. | 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 Gd4P4H4C8O24Gd4P4H4C8O24Gd4P4H4C8O24Gd4P4H4C8O24
_chemical_formula_sum "Gd16 P16 H16 C32 O96"
_cell_length_a 16.4002408
_cell_length_b 18.96914186
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cel... |
SuperCellAction | b8cac66f-5ecb-4bd7-bdcc-01ed4a600ca9 | mp-1207972 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural U4Ti6Ge8
_chemical_formula_sum "U4 Ti6 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural U4Ti6Ge8U4Ti6Ge8U4Ti6Ge8
_chemical_formula_sum "U12 Ti18 Ge24"
_cell_length_a 21.382176
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | b8f64ebc-1c31-4d52-86a6-bb65a6ae6278 | mp-1226904 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Ca2Al8Si4O22
_chemical_formula_sum "Ca2 Al8 Si4 O22"
_cell_length_a 5.4776243
_cell_length_b 5.4776243
_cell_length_c 12.837760639999999
_cell_angle_alpha 89.8173835
_cell_angle_beta 89.8173835
_cell_angle_gamma 119.97541108
_space... | data_image0
_chemical_formula_structural Ca2Al8Si4O22Ca2Al8Si4O22Ca2Al8Si4O22Ca2Al8Si4O22Ca2Al8Si4O22Ca2Al8Si4O22
_chemical_formula_sum "Ca12 Al48 Si24 O132"
_cell_length_a 5.4776243
_cell_length_b 16.4328729
_cell_length_c 25.675521279999998
_cell_angle_alpha 89.8173835
_cell_an... |
SuperCellAction | 8e691418-ebbd-433f-8f6e-a9c577735ff0 | mp-759390 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48Li12Bi8P12O48Li12Bi8P12O48Li12Bi8P12O48
_chemical_formula_sum "Li48 Bi32 P48 O192"
_cell_length_a 18.899804
_cell_length_b 8.813636
_cell_length_c 25.7060221
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 4fdcfe16-05e7-45c7-8847-5a80df101018 | mp-2230007 | Create a supercell with the size 2×1×1. | 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 Cs4MgTi2Ag4S8Cs4MgTi2Ag4S8
_chemical_formula_sum "Cs8 Mg2 Ti4 Ag8 S16"
_cell_length_a 12.67813688
_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... |
SuperCellAction | 79f16fd0-a47f-4b72-9808-700d1a1393c6 | mp-1228248 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_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 Ba4NdYCu8O16Ba4NdYCu8O16Ba4NdYCu8O16Ba4NdYCu8O16
_chemical_formula_sum "Ba16 Nd4 Y4 Cu32 O64"
_cell_length_a 7.844748
_cell_length_b 7.853788
_cell_length_c 27.543314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 1185fb21-4a2e-46a8-9979-76788ffcd750 | mp-676599 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Cu8NO11
_chemical_formula_sum "Cu8 N1 O11"
_cell_length_a 6.94565887
_cell_length_b 6.817023109999999
_cell_length_c 6.544039990000001
_cell_angle_alpha 62.60415246
_cell_angle_beta 60.6223808
_cell_angle_gamma 56.77346674999999
_s... | data_image0
_chemical_formula_structural Cu8NO11Cu8NO11Cu8NO11Cu8NO11
_chemical_formula_sum "Cu32 N4 O44"
_cell_length_a 27.78263548
_cell_length_b 6.817023109999999
_cell_length_c 6.544039990000001
_cell_angle_alpha 62.60415246
_cell_angle_beta 60.6223808
_cell_angle_gamma ... |
SuperCellAction | 51b749c8-cda9-40ed-b30e-12f564ac031b | mp-1202750 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P12Ru19Nd5P12Ru19Nd5P12Ru19Nd5P12Ru19Nd5P12Ru19Nd5P12Ru19Nd5P12Ru19Nd5P12Ru19
_chemical_formula_sum "Nd40 P96 Ru152"
_cell_length_a 12.62692714
_cell_length_b 25.25385428
_cell_length_c 16.056728
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | d730e2c9-82ac-4294-8db0-c986f440560f | mp-1048365 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... | data_image0
_chemical_formula_structural Y2Cu3O6Y2Cu3O6Y2Cu3O6
_chemical_formula_sum "Y6 Cu9 O18"
_cell_length_a 55.583360549999995
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.965... |
SuperCellAction | 3c03171e-2f5f-4843-b52d-cee196a42874 | mp-775212 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... | data_image0
_chemical_formula_structural Mn2V4P6O24Mn2V4P6O24Mn2V4P6O24
_chemical_formula_sum "Mn6 V12 P18 O72"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 25.918111140000004
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868000001
_cell_... |
SuperCellAction | 9122c9eb-bffc-4251-95c8-d357ade7fcc3 | mp-1245687 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_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 Ta16Te12N8Ta16Te12N8Ta16Te12N8Ta16Te12N8
_chemical_formula_sum "Ta64 Te48 N32"
_cell_length_a 11.060394
_cell_length_b 10.747467
_cell_length_c 30.01168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
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