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 | 8c6a71a9-a1aa-4c88-a33f-6c2fd8f0ccc0 | mp-2228450 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O8MgMn3Cd2O8MgMn3Cd2O8MgMn3Cd2O8
_chemical_formula_sum "Mg4 Mn12 Cd8 O32"
_cell_length_a 5.33675026
_cell_length_b 24.92972916
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_a... |
SuperCellAction | a40d3192-447c-453e-bc94-d13ff2d15120 | mp-736701 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4I4O40P16Pt4I4O40P16Pt4I4O40P16Pt4I4O40
_chemical_formula_sum "P64 Pt16 I16 O160"
_cell_length_a 44.110754
_cell_length_b 22.096648
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 491b8fae-8267-4780-83ed-934a2b4e36d7 | mp-560156 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_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 Sr4Tl4V4O16Sr4Tl4V4O16Sr4Tl4V4O16Sr4Tl4V4O16Sr4Tl4V4O16Sr4Tl4V4O16
_chemical_formula_sum "Sr24 Tl24 V24 O96"
_cell_length_a 11.910366
_cell_length_b 23.00361
_cell_length_c 10.189353
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | d207b33d-6ca1-408b-9b18-413aa7ffe59e | mp-1223453 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 La2Ga5Au3La2Ga5Au3La2Ga5Au3La2Ga5Au3La2Ga5Au3La2Ga5Au3
_chemical_formula_sum "La12 Ga30 Au18"
_cell_length_a 4.479646
_cell_length_b 13.438938
_cell_length_c 21.930014
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | c4412f3e-f9dc-41ed-8e39-9fe9e88dc442 | mp-13602 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd12As8O32Cd12As8O32Cd12As8O32Cd12As8O32Cd12As8O32Cd12As8O32
_chemical_formula_sum "Cd72 As48 O192"
_cell_length_a 24.15992864
_cell_length_b 6.65751238
_cell_length_c 27.866417369999997
_cell_angle_alpha 81.67061731000001
_cell_angle_beta... |
SuperCellAction | 46ff0f78-c14b-4cb1-a2a6-3f352ac0288b | mp-1212542 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural H18C6I2N12O2
_chemical_formula_sum "H18 C6 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spa... | data_image0
_chemical_formula_structural H18C6I2N12O2H18C6I2N12O2H18C6I2N12O2H18C6I2N12O2
_chemical_formula_sum "H72 C24 I8 N48 O8"
_cell_length_a 12.339964
_cell_length_b 7.133423
_cell_length_c 23.289973139999997
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_... |
SuperCellAction | 795fba03-7101-4c2a-9ecc-0bccef50864a | mp-755195 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Fe6O10F2
_chemical_formula_sum "Fe6 O10 F2"
_cell_length_a 5.54976087
_cell_length_b 5.549760870000001
_cell_length_c 7.303701070000001
_cell_angle_alpha 70.88119254000001
_cell_angle_beta 70.88119254000001
_cell_angle_gamma 70.7014... | data_image0
_chemical_formula_structural Fe6O10F2Fe6O10F2Fe6O10F2
_chemical_formula_sum "Fe18 O30 F6"
_cell_length_a 5.54976087
_cell_length_b 5.549760870000001
_cell_length_c 21.911103209999997
_cell_angle_alpha 70.88119254
_cell_angle_beta 70.88119254
_cell_angle_gamma 7... |
SuperCellAction | 6b96325b-f799-4083-b66b-8eded122c1db | mp-770517 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_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 Li36Al4Ni8O32Li36Al4Ni8O32
_chemical_formula_sum "Li72 Al8 Ni16 O64"
_cell_length_a 12.740624
_cell_length_b 7.510015
_cell_length_c 15.826979
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | 438b2d4e-ef7c-441e-9f7f-b08ee9445462 | mp-12491 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Cs2La2Cd2Te6
_chemical_formula_sum "Cs2 La2 Cd2 Te6"
_cell_length_a 8.83665743
_cell_length_b 8.83665743
_cell_length_c 12.28456919
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.08221441
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2La2Cd2Te6Cs2La2Cd2Te6Cs2La2Cd2Te6Cs2La2Cd2Te6Cs2La2Cd2Te6Cs2La2Cd2Te6
_chemical_formula_sum "Cs12 La12 Cd12 Te36"
_cell_length_a 8.83665743
_cell_length_b 17.67331486
_cell_length_c 36.85370757
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | b1f97041-4fdb-40a5-8f0b-c16162813fc5 | mp-1517360 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural BaDyTi4O12
_chemical_formula_sum "Ba1 Dy1 Ti4 O12"
_cell_length_a 5.53194107
_cell_length_b 5.53194107
_cell_length_c 7.7862193
_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 BaDyTi4O12BaDyTi4O12BaDyTi4O12BaDyTi4O12BaDyTi4O12BaDyTi4O12BaDyTi4O12BaDyTi4O12
_chemical_formula_sum "Ba8 Dy8 Ti32 O96"
_cell_length_a 22.12776428
_cell_length_b 5.53194107
_cell_length_c 15.5724386
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | 59d34363-8ff6-46f1-ac34-2e8679a8514f | mp-1213576 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu128 Ni16 Sb48 S208 N96"
_cell_length_a 12.53861968
_cell_length_b 25.077239360000004
_cell_len... |
SuperCellAction | d442b229-1860-4ce8-9e91-227c498cb4ac | mp-556027 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Si6O12
_chemical_formula_sum "Si6 O12"
_cell_length_a 9.59877805
_cell_length_b 9.59877805
_cell_length_c 9.59877768
_cell_angle_alpha 117.33407439
_cell_angle_beta 117.33407439
_cell_angle_gamma 117.33406562
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Si6O12Si6O12Si6O12
_chemical_formula_sum "Si18 O36"
_cell_length_a 9.59877805
_cell_length_b 9.59877805
_cell_length_c 28.79633304
_cell_angle_alpha 117.33407439
_cell_angle_beta 117.33407439
_cell_angle_gamma 117.33406562
_space_g... |
SuperCellAction | b47c8b81-00b2-4d5c-b7a8-efcb7ced39e2 | mp-16415 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural La4Pd4O12
_chemical_formula_sum "La4 Pd4 O12"
_cell_length_a 5.6198672
_cell_length_b 5.91080386
_cell_length_c 7.823997519999999
_cell_angle_alpha 90.00083176
_cell_angle_beta 90.00225172999998
_cell_angle_gamma 89.99945815000001
... | data_image0
_chemical_formula_structural La4Pd4O12La4Pd4O12La4Pd4O12La4Pd4O12La4Pd4O12La4Pd4O12
_chemical_formula_sum "La24 Pd24 O72"
_cell_length_a 16.859601599999998
_cell_length_b 11.82160772
_cell_length_c 7.823997519999999
_cell_angle_alpha 90.00083176
_cell_angle_beta 9... |
SuperCellAction | ec30c756-45df-4c98-add1-e458c8a5e0cc | mp-776235 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 Zr8N8O4Zr8N8O4
_chemical_formula_sum "Zr16 N16 O8"
_cell_length_a 3.123818
_cell_length_b 11.151114
_cell_length_c 13.840907
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SuperCellAction | 5d1924ad-b19a-46dc-bd53-c4d0aeed7ed9 | mp-1111700 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na3TlBr6Na3TlBr6Na3TlBr6Na3TlBr6Na3TlBr6Na3TlBr6Na3TlBr6Na3TlBr6
_chemical_formula_sum "Na24 Tl8 Br48"
_cell_length_a 15.91218512
_cell_length_b 31.82437024
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | 092959f7-ef90-4b9f-bbb3-e6db1fcec957 | mp-758121 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C6O18Fe4C6O18Fe4C6O18Fe4C6O18Fe4C6O18Fe4C6O18
_chemical_formula_sum "Fe24 C36 O108"
_cell_length_a 22.89446703
_cell_length_b 7.63148901
_cell_length_c 15.26297662
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_a... |
SuperCellAction | bbd1d0f9-eff3-4216-9563-7680c3bd20cc | mp-1111403 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Rb2BiAuF6
_chemical_formula_sum "Rb2 Bi1 Au1 F6"
_cell_length_a 6.71700672
_cell_length_b 6.71700672
_cell_length_c 6.71700672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2BiAuF6Rb2BiAuF6Rb2BiAuF6Rb2BiAuF6
_chemical_formula_sum "Rb8 Bi4 Au4 F24"
_cell_length_a 26.86802688
_cell_length_b 6.71700672
_cell_length_c 6.71700672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_an... |
SuperCellAction | d26021ad-d447-4db6-8140-28c7d509b197 | mp-558751 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... | data_image0
_chemical_formula_structural Ca8Bi16O32Ca8Bi16O32Ca8Bi16O32
_chemical_formula_sum "Ca24 Bi48 O96"
_cell_length_a 10.19674131
_cell_length_b 30.59022393
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma ... |
SuperCellAction | e8f4c402-1854-4146-ae43-463d02bff719 | mp-1191760 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Na5V2P3O15
_chemical_formula_sum "Na5 V2 P3 O15"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_gro... | data_image0
_chemical_formula_structural Na5V2P3O15Na5V2P3O15Na5V2P3O15Na5V2P3O15Na5V2P3O15Na5V2P3O15
_chemical_formula_sum "Na30 V12 P18 O90"
_cell_length_a 10.45439514
_cell_length_b 19.084098
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.6547... |
SuperCellAction | 1084c836-3eae-4d8b-b865-0250f9935f7b | mp-777849 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Nb3P6WO24
_chemical_formula_sum "Nb3 P6 W1 O24"
_cell_length_a 9.07141994
_cell_length_b 9.07141994
_cell_length_c 9.07141925
_cell_angle_alpha 58.51358548
_cell_angle_beta 58.51358548
_cell_angle_gamma 58.51358863
_space_group_nam... | data_image0
_chemical_formula_structural Nb3P6WO24Nb3P6WO24Nb3P6WO24
_chemical_formula_sum "Nb9 P18 W3 O72"
_cell_length_a 9.07141994
_cell_length_b 9.07141994
_cell_length_c 27.21425775
_cell_angle_alpha 58.51358548000002
_cell_angle_beta 58.51358548000002
_cell_angle_gamma ... |
SuperCellAction | 3436d6ff-dd27-4459-bc61-2fee51bc46fb | mp-9107 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... | data_image0
_chemical_formula_structural Na2Zr2Cu2S6Na2Zr2Cu2S6
_chemical_formula_sum "Na4 Zr4 Cu4 S12"
_cell_length_a 13.62386436
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_s... |
SuperCellAction | 3405edcc-6b6a-42f5-aab3-0e9241b3d77b | mp-770952 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Li4Co3NiP4O16
_chemical_formula_sum "Li4 Co3 Ni1 P4 O16"
_cell_length_a 5.965139
_cell_length_b 4.745757
_cell_length_c 10.23215505
_cell_angle_alpha 89.96373711
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Co3NiP4O16Li4Co3NiP4O16Li4Co3NiP4O16Li4Co3NiP4O16
_chemical_formula_sum "Li16 Co12 Ni4 P16 O64"
_cell_length_a 11.930278
_cell_length_b 4.745757
_cell_length_c 20.4643101
_cell_angle_alpha 89.96373711
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 99e3f619-db87-47fc-b009-9928d90e5036 | mp-1198961 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Tl4Co4Br24N24
_chemical_formula_sum "Tl4 Co4 Br24 N24"
_cell_length_a 10.8315
_cell_length_b 10.8315
_cell_length_c 10.8315
_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 Tl4Co4Br24N24Tl4Co4Br24N24Tl4Co4Br24N24Tl4Co4Br24N24
_chemical_formula_sum "Tl16 Co16 Br96 N96"
_cell_length_a 10.8315
_cell_length_b 21.663
_cell_length_c 21.663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | cbd7ede8-ff1c-4746-ae8a-43dcff9adf3f | mp-1111648 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural K2NaDyCl6
_chemical_formula_sum "K2 Na1 Dy1 Cl6"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural K2NaDyCl6K2NaDyCl6K2NaDyCl6K2NaDyCl6K2NaDyCl6K2NaDyCl6K2NaDyCl6K2NaDyCl6
_chemical_formula_sum "K16 Na8 Dy8 Cl48"
_cell_length_a 7.58312909
_cell_length_b 30.33251636
_cell_length_c 15.16625818
_cell_angle_alpha 59.999999999999986
_cell_an... |
SuperCellAction | afd9e177-53f3-4f7c-a5f2-3a7be6b05271 | mp-1519755 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural SrSmEuVO6
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrSmEuVO6SrSmEuVO6SrSmEuVO6
_chemical_formula_sum "Sr3 Sm3 Eu3 V3 O18"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 17.544943079999996
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999998... |
SuperCellAction | fbe6af86-444b-449a-90a8-4307f2a91492 | mp-1212166 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Li2Eu2W4O16
_chemical_formula_sum "Li2 Eu2 W4 O16"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Eu2W4O16Li2Eu2W4O16Li2Eu2W4O16Li2Eu2W4O16Li2Eu2W4O16Li2Eu2W4O16
_chemical_formula_sum "Li12 Eu12 W24 O96"
_cell_length_a 11.860194
_cell_length_b 15.450365999999999
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_ang... |
SuperCellAction | b0036cc2-7c0f-4e7e-b447-3ef1b685a64c | mp-554508 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural K4Y4P8O28
_chemical_formula_sum "K4 Y4 P8 O28"
_cell_length_a 7.55283602
_cell_length_b 8.59399284
_cell_length_c 10.95318287
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.53414731
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Y4P8O28K4Y4P8O28K4Y4P8O28K4Y4P8O28
_chemical_formula_sum "K16 Y16 P32 O112"
_cell_length_a 7.55283602
_cell_length_b 8.59399284
_cell_length_c 43.81273148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.53414731... |
SuperCellAction | 8ec75ba7-fb64-43fb-80dc-c6b5ddd5df33 | mp-1234735 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural MgMn8Si10O30
_chemical_formula_sum "Mg1 Mn8 Si10 O30"
_cell_length_a 6.80069302
_cell_length_b 7.519325049999999
_cell_length_c 12.11559097
_cell_angle_alpha 106.48415729
_cell_angle_beta 94.21232844999999
_cell_angle_gamma 94.78790... | data_image0
_chemical_formula_structural MgMn8Si10O30MgMn8Si10O30MgMn8Si10O30MgMn8Si10O30MgMn8Si10O30MgMn8Si10O30
_chemical_formula_sum "Mg6 Mn48 Si60 O180"
_cell_length_a 6.80069302
_cell_length_b 22.55797515
_cell_length_c 24.23118194
_cell_angle_alpha 106.48415729
_cell_angle_... |
SuperCellAction | 5ff69514-d139-4ec0-b636-86c858c48a80 | mp-1176984 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48
_chemical_formula_sum "Li96 Mn16 V48 P96 O384"
_cell_length_a 16.992946
_cell_length_b 17.26628202
_cell_length_c 29.9655... |
SuperCellAction | 47ff424d-666a-4754-97db-71739b126cd9 | mp-2229854 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... | data_image0
_chemical_formula_structural MgPb4W2O10MgPb4W2O10MgPb4W2O10MgPb4W2O10MgPb4W2O10MgPb4W2O10
_chemical_formula_sum "Mg6 Pb24 W12 O60"
_cell_length_a 17.63926683
_cell_length_b 7.77356628
_cell_length_c 20.36283876
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.7... |
SuperCellAction | 2ade519b-5e30-4e76-b700-9edd8aa0b037 | mp-1102093 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Eu4I8
_chemical_formula_sum "Eu4 I8"
_cell_length_a 4.88592076
_cell_length_b 8.42455016
_cell_length_c 12.371407
_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 Eu4I8Eu4I8Eu4I8
_chemical_formula_sum "Eu12 I24"
_cell_length_a 14.65776228
_cell_length_b 8.42455016
_cell_length_c 12.371407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SuperCellAction | f03c60fc-847e-4dc7-80f0-a21deaca0bec | mp-1517276 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural KPrYSbO6
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural KPrYSbO6KPrYSbO6KPrYSbO6KPrYSbO6KPrYSbO6KPrYSbO6
_chemical_formula_sum "K6 Pr6 Y6 Sb6 O36"
_cell_length_a 17.73651636
_cell_length_b 5.91217212
_cell_length_c 11.82434424
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.9999999... |
SuperCellAction | 8ddb44a9-3e8a-482f-8cc8-fcc0ea489fb2 | mp-1095216 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8Nd2As2O8Nd2As2O8
_chemical_formula_sum "Nd6 As6 O24"
_cell_length_a 6.84642559
_cell_length_b 20.53923105
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gam... |
SuperCellAction | 5fb2f318-f2dd-424e-b93c-cad3b3b725e3 | mp-695305 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... | data_image0
_chemical_formula_structural Na8C8S8O24F24Na8C8S8O24F24Na8C8S8O24F24Na8C8S8O24F24Na8C8S8O24F24Na8C8S8O24F24
_chemical_formula_sum "Na48 C48 S48 O144 F144"
_cell_length_a 20.441956
_cell_length_b 33.10052151
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_ce... |
SuperCellAction | ec1e99ed-2690-45ca-a7ce-dc42430d14f5 | mp-850204 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Li5Co2O2F5
_chemical_formula_sum "Li5 Co2 O2 F5"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 16.... | data_image0
_chemical_formula_structural Li5Co2O2F5Li5Co2O2F5Li5Co2O2F5Li5Co2O2F5
_chemical_formula_sum "Li20 Co8 O8 F20"
_cell_length_a 14.62900426
_cell_length_b 58.516017039999994
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.4... |
SuperCellAction | f5e3d3e0-42d9-4e07-9198-dd01fabdf2d1 | mp-998613 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural K2Ge2Cl6
_chemical_formula_sum "K2 Ge2 Cl6"
_cell_length_a 7.53183696
_cell_length_b 7.53183688
_cell_length_c 7.53183649
_cell_angle_alpha 61.68388527
_cell_angle_beta 61.68387771
_cell_angle_gamma 61.68388726
_space_group_name_H-... | data_image0
_chemical_formula_structural K2Ge2Cl6K2Ge2Cl6K2Ge2Cl6K2Ge2Cl6K2Ge2Cl6K2Ge2Cl6K2Ge2Cl6K2Ge2Cl6
_chemical_formula_sum "K16 Ge16 Cl48"
_cell_length_a 15.06367392
_cell_length_b 30.12734752
_cell_length_c 7.53183649
_cell_angle_alpha 61.68388527
_cell_angle_beta 61.68... |
SuperCellAction | c54179db-309f-4a23-b944-b85b64872bde | mp-1039951 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural RbCeMg30O32
_chemical_formula_sum "Rb1 Ce1 Mg30 O32"
_cell_length_a 8.696206
_cell_length_b 8.696206
_cell_length_c 8.784495
_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 RbCeMg30O32RbCeMg30O32RbCeMg30O32RbCeMg30O32
_chemical_formula_sum "Rb4 Ce4 Mg120 O128"
_cell_length_a 17.392412
_cell_length_b 17.392412
_cell_length_c 8.784495
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | d4f5e881-dd8a-4729-85e1-a4a60af4339f | mp-1192809 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N12O12Ag4N12O12Ag4N12O12Ag4N12O12Ag4N12O12Ag4N12O12
_chemical_formula_sum "Ag24 N72 O72"
_cell_length_a 6.029281
_cell_length_b 15.861316
_cell_length_c 31.307577000000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 7d068fd8-78c3-4aa2-b420-9210a77ded5b | mp-757738 | Create a supercell with the size 1×3×1. | 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 Fe19Co5O32Fe19Co5O32Fe19Co5O32
_chemical_formula_sum "Fe57 Co15 O96"
_cell_length_a 8.52149173
_cell_length_b 25.564475189999996
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_a... |
SuperCellAction | 5ce7796f-637d-4ed3-b0bc-e0e653aa2b9a | mp-726253 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural RbLi3S2O9
_chemical_formula_sum "Rb1 Li3 S2 O9"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_space_gr... | data_image0
_chemical_formula_structural RbLi3S2O9RbLi3S2O9RbLi3S2O9RbLi3S2O9RbLi3S2O9RbLi3S2O9RbLi3S2O9RbLi3S2O9
_chemical_formula_sum "Rb8 Li24 S16 O72"
_cell_length_a 10.203142
_cell_length_b 10.832252219999999
_cell_length_c 17.05915018
_cell_angle_alpha 105.94489701
_cell_an... |
SuperCellAction | 1955c12d-5f9e-4f7c-88ea-b35eac98d885 | mp-684504 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48Li12Bi8P12O48
_chemical_formula_sum "Li24 Bi16 P24 O96"
_cell_length_a 9.233426
_cell_length_b 18.448366
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | 94167573-5a48-4fad-889f-6bd2378b540b | mp-1034797 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg14O15RbNaMg14O15RbNaMg14O15RbNaMg14O15
_chemical_formula_sum "Rb4 Na4 Mg56 O60"
_cell_length_a 8.425136
_cell_length_b 8.376669
_cell_length_c 20.82123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SuperCellAction | e842ddd2-56b9-4106-a127-80ecabbd4eb7 | mp-1229194 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Ag2Au2I8O24
_chemical_formula_sum "Ag2 Au2 I8 O24"
_cell_length_a 5.843613
_cell_length_b 8.120017
_cell_length_c 13.08254631
_cell_angle_alpha 72.73543432
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ag2Au2I8O24Ag2Au2I8O24Ag2Au2I8O24
_chemical_formula_sum "Ag6 Au6 I24 O72"
_cell_length_a 17.530839
_cell_length_b 8.120017
_cell_length_c 13.08254631
_cell_angle_alpha 72.73543432
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | d56b1375-59d4-499b-83d8-0b9c936bd441 | mp-1209759 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Pr3Sb4Pt7
_chemical_formula_sum "Pr3 Sb4 Pt7"
_cell_length_a 4.475606
_cell_length_b 8.64494157
_cell_length_c 8.67361651
_cell_angle_alpha 70.36912792
_cell_angle_beta 75.04850978
_cell_angle_gamma 74.997753
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pr3Sb4Pt7Pr3Sb4Pt7Pr3Sb4Pt7Pr3Sb4Pt7Pr3Sb4Pt7Pr3Sb4Pt7
_chemical_formula_sum "Pr18 Sb24 Pt42"
_cell_length_a 13.426818
_cell_length_b 17.28988314
_cell_length_c 8.67361651
_cell_angle_alpha 70.36912792
_cell_angle_beta 75.04850978
_cel... |
SuperCellAction | a2b9ca47-005d-4a9d-ac21-9faa92e6dd3c | mp-1209918 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural NaYPd6O8
_chemical_formula_sum "Na1 Y1 Pd6 O8"
_cell_length_a 5.831788
_cell_length_b 5.831788
_cell_length_c 5.831788
_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 NaYPd6O8NaYPd6O8NaYPd6O8NaYPd6O8
_chemical_formula_sum "Na4 Y4 Pd24 O32"
_cell_length_a 11.663576
_cell_length_b 5.831788
_cell_length_c 11.663576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | f6d972fc-f3af-47af-8d6d-84e5da3f357e | mp-753161 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... | data_image0
_chemical_formula_structural Li8V4O8F8Li8V4O8F8Li8V4O8F8Li8V4O8F8Li8V4O8F8Li8V4O8F8Li8V4O8F8Li8V4O8F8
_chemical_formula_sum "Li64 V32 O64 F64"
_cell_length_a 23.39616864
_cell_length_b 20.330935920000005
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_a... |
SuperCellAction | 43ddd0f7-d949-478f-b81e-663aa457b165 | mp-1246029 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Ca6Cr4N8
_chemical_formula_sum "Ca6 Cr4 N8"
_cell_length_a 6.79220659
_cell_length_b 8.28451684
_cell_length_c 5.40157864
_cell_angle_alpha 90.00000163
_cell_angle_beta 92.17687209
_cell_angle_gamma 127.57899077
_space_group_name_H... | data_image0
_chemical_formula_structural Ca6Cr4N8Ca6Cr4N8Ca6Cr4N8Ca6Cr4N8Ca6Cr4N8Ca6Cr4N8Ca6Cr4N8Ca6Cr4N8
_chemical_formula_sum "Ca48 Cr32 N64"
_cell_length_a 27.16882636
_cell_length_b 16.56903368
_cell_length_c 5.40157864
_cell_angle_alpha 90.00000163
_cell_angle_beta 92.17... |
SuperCellAction | fd117558-69d4-4c9b-8860-45d254c5eee3 | mp-562239 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural V8P8Pb4O40
_chemical_formula_sum "V8 P8 Pb4 O40"
_cell_length_a 8.787201
_cell_length_b 5.283439
_cell_length_c 17.0558891
_cell_angle_alpha 88.9433945
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural V8P8Pb4O40V8P8Pb4O40V8P8Pb4O40V8P8Pb4O40
_chemical_formula_sum "V32 P32 Pb16 O160"
_cell_length_a 8.787201
_cell_length_b 21.133756
_cell_length_c 17.0558891
_cell_angle_alpha 88.9433945
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | 89ef89ae-c2b9-4e16-9449-39e68e61e25b | mp-1174751 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.029203
_cell_length_b 7.79574031
_cell_length_c 11.14985522
_cell_angle_alpha 79.56287174
_cell_angle_beta 83.40665545000002
_cell_angle_gamma 83.34820798
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14
_chemical_formula_sum "Li32 Mn8 Co16 O56"
_cell_length_a 6.058406
_cell_length_b 15.59148062
_cell_length_c 11.14985522
_cell_angle_alpha 79.56287174
_cell_angle_beta 83.40665545000002
_... |
SuperCellAction | 5269fcca-c2b0-4fce-9a33-ecafe289f227 | mp-1194859 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al4V4Te8O32Al4V4Te8O32
_chemical_formula_sum "Al8 V8 Te16 O64"
_cell_length_a 8.104843
_cell_length_b 9.838238
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | 94bf57b9-4f1d-4630-995d-cff0db79254f | mp-24598 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40Ba4V4P8H16O40
_chemical_formula_sum "Ba32 V32 P64 H128 O320"
_cell_length_a 6.493716
_cell_length_b 43.940876
_cell_length_c 23.1382301
_cell_angle_alp... |
SuperCellAction | c72c27f3-22d4-48b4-849e-dca64659781d | mp-1197379 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... | data_image0
_chemical_formula_structural Y2N6O28Y2N6O28Y2N6O28Y2N6O28Y2N6O28Y2N6O28
_chemical_formula_sum "Y12 N36 O168"
_cell_length_a 6.444069
_cell_length_b 27.681148800000003
_cell_length_c 20.01908298
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_... |
SuperCellAction | 446b336d-c4d9-4c08-a960-807235fbed66 | mp-1044845 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Ba6Al3Fe6F33
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ba6Al3Fe6F33Ba6Al3Fe6F33
_chemical_formula_sum "Ba12 Al6 Fe12 F66"
_cell_length_a 14.89894128
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_spa... |
SuperCellAction | 1822c88d-ef7f-40f2-9d68-4c24cc161d83 | mp-1209559 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Sc2Zn20B16Rh36
_chemical_formula_sum "Sc2 Zn20 B16 Rh36"
_cell_length_a 17.978856
_cell_length_b 17.978856
_cell_length_c 2.894875
_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 Sc2Zn20B16Rh36Sc2Zn20B16Rh36Sc2Zn20B16Rh36Sc2Zn20B16Rh36Sc2Zn20B16Rh36Sc2Zn20B16Rh36Sc2Zn20B16Rh36Sc2Zn20B16Rh36
_chemical_formula_sum "Sc16 Zn160 B128 Rh288"
_cell_length_a 17.978856
_cell_length_b 71.915424
_cell_length_c 5.78975
_cell_angl... |
SuperCellAction | dd9618cd-2221-4abb-b5b3-f039de391baf | mp-1208371 | Create a supercell with the size 1×2×3. | 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 Tl4N8Cl20O4Tl4N8Cl20O4Tl4N8Cl20O4Tl4N8Cl20O4Tl4N8Cl20O4Tl4N8Cl20O4
_chemical_formula_sum "Tl24 N48 Cl120 O24"
_cell_length_a 7.728223
_cell_length_b 21.837268
_cell_length_c 50.123829
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | c73ce3d9-ad03-478a-a80e-dad5b16d6b78 | mp-779533 | Create a supercell with the size 2×1×1. | 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 Ba12Br8O8Ba12Br8O8
_chemical_formula_sum "Ba24 Br16 O16"
_cell_length_a 12.734274
_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 ... |
SuperCellAction | 5c035083-9b8d-4b63-9a4f-c3d103c1f7a7 | mp-1202068 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... | data_image0
_chemical_formula_structural Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16Pd2C8S8I4N16
_chemical_formula_sum "Pd16 C64 S64 I32 N128"
_cell_length_a 19.669332
_cell_length_b 17.21410744
_cell_length_c 30.429036759999995
_cell_angle_a... |
SuperCellAction | e17d2995-078b-4fcf-bd0b-b4f7ceb6b74f | mp-1211531 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Li3TaF6
_chemical_formula_sum "Li3 Ta1 F6"
_cell_length_a 5.84410831
_cell_length_b 6.311450130000001
_cell_length_c 7.63450276
_cell_angle_alpha 82.69135836000001
_cell_angle_beta 139.93362222000002
_cell_angle_gamma 118.40085885
... | data_image0
_chemical_formula_structural Li3TaF6Li3TaF6Li3TaF6Li3TaF6Li3TaF6Li3TaF6Li3TaF6Li3TaF6
_chemical_formula_sum "Li24 Ta8 F48"
_cell_length_a 11.68821662
_cell_length_b 6.311450130000001
_cell_length_c 30.53801104
_cell_angle_alpha 82.69135836000001
_cell_angle_beta 1... |
SuperCellAction | 70eb3a83-d495-4865-81c4-04fd6198f0b0 | mp-570105 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural K4Pt2C8I4N8
_chemical_formula_sum "K4 Pt2 C8 I4 N8"
_cell_length_a 9.506457
_cell_length_b 7.41999
_cell_length_c 9.06048503
_cell_angle_alpha 72.44232065
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural K4Pt2C8I4N8K4Pt2C8I4N8K4Pt2C8I4N8K4Pt2C8I4N8K4Pt2C8I4N8K4Pt2C8I4N8
_chemical_formula_sum "K24 Pt12 C48 I24 N48"
_cell_length_a 9.506457
_cell_length_b 22.259970000000003
_cell_length_c 18.12097006
_cell_angle_alpha 72.44232065
_cell_angle_... |
SuperCellAction | d02ac4d5-d38f-4449-81b4-1052847ee60e | mp-1213837 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ce2Hf2F14Ce2Hf2F14Ce2Hf2F14Ce2Hf2F14Ce2Hf2F14Ce2Hf2F14Ce2Hf2F14Ce2Hf2F14
_chemical_formula_sum "Ce16 Hf16 F112"
_cell_length_a 23.30176868
_cell_length_b 12.47015992
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta... |
SuperCellAction | 2ad92f14-de21-422d-b9d8-df7a0918ab5f | mp-1046426 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16Sr2V2Zn2P4O16Sr2V2Zn2P4O16
_chemical_formula_sum "Sr6 V6 Zn6 P12 O48"
_cell_length_a 5.53321927
_cell_length_b 21.12971778
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933... |
SuperCellAction | 8812f908-51e8-4fa1-bc0e-30198055ba4c | mp-1208448 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... | data_image0
_chemical_formula_structural Tb4Ga12AgTb4Ga12AgTb4Ga12AgTb4Ga12AgTb4Ga12AgTb4Ga12Ag
_chemical_formula_sum "Tb24 Ga72 Ag6"
_cell_length_a 22.43742009
_cell_length_b 14.95828242
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.4712... |
SuperCellAction | 30ad9620-7b05-4bcf-b5e4-9e73e0f722c9 | mp-758121 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C6O18Fe4C6O18
_chemical_formula_sum "Fe8 C12 O36"
_cell_length_a 15.26297802
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_... |
SuperCellAction | b1b854c8-9d92-4917-9ad1-4157ce02aa0e | mp-1211422 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural K2Pt2Br6N2
_chemical_formula_sum "K2 Pt2 Br6 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2Pt2Br6N2K2Pt2Br6N2
_chemical_formula_sum "K4 Pt4 Br12 N4"
_cell_length_a 19.17677696
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_... |
SuperCellAction | e17386bf-e6b1-471d-b56c-0d4327066137 | mp-532443 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Li10V10Cl32
_chemical_formula_sum "Li10 V10 Cl32"
_cell_length_a 12.74943518
_cell_length_b 12.74943518
_cell_length_c 7.362862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.54370111000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li10V10Cl32Li10V10Cl32Li10V10Cl32Li10V10Cl32Li10V10Cl32Li10V10Cl32
_chemical_formula_sum "Li60 V60 Cl192"
_cell_length_a 12.74943518
_cell_length_b 38.248305540000004
_cell_length_c 14.725724
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 1e5241a9-3e2f-460c-a1c6-7c25c054231f | mp-1195795 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22La4Y11S22La4Y11S22La4Y11S22
_chemical_formula_sum "La16 Y44 S88"
_cell_length_a 39.70591026
_cell_length_b 19.85295513
_cell_length_c 22.89418358
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma ... |
SuperCellAction | 647d7540-d770-42c6-9021-c8c06833c73a | mp-1245465 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Rb12Mo2N8
_chemical_formula_sum "Rb12 Mo2 N8"
_cell_length_a 8.548138
_cell_length_b 8.548138
_cell_length_c 7.221961
_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 Rb12Mo2N8Rb12Mo2N8Rb12Mo2N8Rb12Mo2N8
_chemical_formula_sum "Rb48 Mo8 N32"
_cell_length_a 8.548138
_cell_length_b 17.096276
_cell_length_c 14.443922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | 0c0fd5ec-ad50-4539-9aa1-61c67b8f084f | mp-758815 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn4P16O48Li8Mn4P16O48Li8Mn4P16O48Li8Mn4P16O48
_chemical_formula_sum "Li32 Mn16 P64 O192"
_cell_length_a 11.142329
_cell_length_b 14.981144
_cell_length_c 26.4277245
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 37075622-bf82-4c8d-b459-0187d9944f41 | mp-1200323 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Na12Nb4As8O36
_chemical_formula_sum "Na12 Nb4 As8 O36"
_cell_length_a 8.46195509
_cell_length_b 9.67605056
_cell_length_c 10.606199740000001
_cell_angle_alpha 71.25715089999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... | data_image0
_chemical_formula_structural Na12Nb4As8O36Na12Nb4As8O36
_chemical_formula_sum "Na24 Nb8 As16 O72"
_cell_length_a 8.46195509
_cell_length_b 9.67605056
_cell_length_c 21.212399480000002
_cell_angle_alpha 71.25715089999998
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | 99203be4-c00a-48de-b7b0-3464474e241c | mp-1185759 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Mg17Al11Tl
_chemical_formula_sum "Mg17 Al11 Tl1"
_cell_length_a 9.17786347
_cell_length_b 9.177863469999998
_cell_length_c 9.2046195
_cell_angle_alpha 70.5694587
_cell_angle_beta 70.5694587
_cell_angle_gamma 109.11134154
_space_gro... | data_image0
_chemical_formula_structural Mg17Al11TlMg17Al11TlMg17Al11Tl
_chemical_formula_sum "Mg51 Al33 Tl3"
_cell_length_a 27.533590410000002
_cell_length_b 9.177863469999998
_cell_length_c 9.2046195
_cell_angle_alpha 70.5694587
_cell_angle_beta 70.5694587
_cell_angle_gamma... |
SuperCellAction | 1d7d4dfe-12f8-474a-90c7-80311b564af2 | mp-22417 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 4.732146
_cell_length_b 5.926672
_cell_length_c 10.14381
_cell_angle_alpha 89.99885199
_cell_angle_beta 89.99866273999999
_cell_angle_gamma 90.00273053
_space_group_... | data_image0
_chemical_formula_structural Li4Ni4P4O16Li4Ni4P4O16
_chemical_formula_sum "Li8 Ni8 P8 O32"
_cell_length_a 9.464292
_cell_length_b 5.926672
_cell_length_c 10.14381
_cell_angle_alpha 89.99885199
_cell_angle_beta 89.99866273999999
_cell_angle_gamma 90.00273053
_s... |
SuperCellAction | befcd894-82fd-4799-af30-821db5a74c27 | mp-532718 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36Ca6Nd6Mn12O36
_chemical_formula_sum "Ca12 Nd12 Mn24 O72"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 15.405016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 194092af-7bf6-4dfd-b942-573924602f50 | mp-559593 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6
_chemical_formula_sum "P24 S72 N120 F48"
_cell_length_a 46.11409556
_cell_length_b 23.05704778
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_ang... |
SuperCellAction | e7ad8210-4f3f-4636-accb-6fe71141f324 | mp-557667 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... | data_image0
_chemical_formula_structural Ge9Pb15O33Ge9Pb15O33Ge9Pb15O33Ge9Pb15O33
_chemical_formula_sum "Ge36 Pb60 O132"
_cell_length_a 10.41003186
_cell_length_b 20.820063719999997
_cell_length_c 21.727576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119... |
SuperCellAction | 0f29a4b1-4f51-43f3-9c76-65ad3a62205b | mp-27382 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40U8Tl8F40
_chemical_formula_sum "U64 Tl64 F320"
_cell_length_a 27.4556734
_cell_length_b 16.40918112
_cell_length_c 16.5214486
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_... |
SuperCellAction | df5b88c9-95c9-4344-a8e7-a56efd220fd1 | mp-1045679 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Nb4Te2O16
_chemical_formula_sum "Nb4 Te2 O16"
_cell_length_a 10.48859282
_cell_length_b 10.48859282
_cell_length_c 5.25864415
_cell_angle_alpha 87.00891937999998
_cell_angle_beta 87.00891937999998
_cell_angle_gamma 34.35651596
_spa... | data_image0
_chemical_formula_structural Nb4Te2O16Nb4Te2O16Nb4Te2O16Nb4Te2O16Nb4Te2O16Nb4Te2O16Nb4Te2O16Nb4Te2O16
_chemical_formula_sum "Nb32 Te16 O128"
_cell_length_a 41.95437128
_cell_length_b 20.97718564
_cell_length_c 5.25864415
_cell_angle_alpha 87.00891937999998
_cell_angle... |
SuperCellAction | 20a38098-82ad-48d0-8cb4-339d7e96a80d | mp-6215 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Ag2Hg2As2S6
_chemical_formula_sum "Ag2 Hg2 As2 S6"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group... | data_image0
_chemical_formula_structural Ag2Hg2As2S6Ag2Hg2As2S6Ag2Hg2As2S6Ag2Hg2As2S6Ag2Hg2As2S6Ag2Hg2As2S6Ag2Hg2As2S6Ag2Hg2As2S6
_chemical_formula_sum "Ag16 Hg16 As16 S48"
_cell_length_a 6.59009171
_cell_length_b 26.36036684
_cell_length_c 15.70235828
_cell_angle_alpha 78.096162... |
SuperCellAction | 2e49b952-c28c-4cb3-b816-07ed7bdd5496 | mp-1177575 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Li3NbFe4O8
_chemical_formula_sum "Li3 Nb1 Fe4 O8"
_cell_length_a 6.0872174
_cell_length_b 6.0872174
_cell_length_c 6.240621610000001
_cell_angle_alpha 59.60408362
_cell_angle_beta 59.60408362
_cell_angle_gamma 61.655735250000006
_s... | data_image0
_chemical_formula_structural Li3NbFe4O8Li3NbFe4O8Li3NbFe4O8Li3NbFe4O8Li3NbFe4O8Li3NbFe4O8Li3NbFe4O8Li3NbFe4O8
_chemical_formula_sum "Li24 Nb8 Fe32 O64"
_cell_length_a 6.0872174
_cell_length_b 24.3488696
_cell_length_c 12.481243220000001
_cell_angle_alpha 59.60408362
_... |
SuperCellAction | 23748789-5ba5-4c78-a45e-386520a97a48 | mp-757246 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li4Ti6V2O16
_chemical_formula_sum "Li4 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
... | data_image0
_chemical_formula_structural Li4Ti6V2O16Li4Ti6V2O16Li4Ti6V2O16Li4Ti6V2O16
_chemical_formula_sum "Li16 Ti24 V8 O64"
_cell_length_a 11.96081706
_cell_length_b 12.14543816
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.007169... |
SuperCellAction | 54bc069f-7d0b-4898-98a3-c8f201d1abbe | mp-1029918 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Ba12V24N48
_chemical_formula_sum "Ba12 V24 N48"
_cell_length_a 10.936076
_cell_length_b 10.936076
_cell_length_c 10.936076
_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 Ba12V24N48Ba12V24N48Ba12V24N48Ba12V24N48Ba12V24N48Ba12V24N48Ba12V24N48Ba12V24N48
_chemical_formula_sum "Ba96 V192 N384"
_cell_length_a 43.744304
_cell_length_b 10.936076
_cell_length_c 21.872152
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | ebe5a936-d861-4451-83ef-33a62698e915 | mp-19408 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Li4V8O20
_chemical_formula_sum "Li4 V8 O20"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_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 Li4V8O20Li4V8O20Li4V8O20Li4V8O20
_chemical_formula_sum "Li16 V32 O80"
_cell_length_a 3.642142
_cell_length_b 19.78216
_cell_length_c 22.237254
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | 7390f744-0e2c-4603-8f64-9d4d43ee2c8e | mp-661715 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2Ti2S2Cl12O2
_chemical_formula_sum "Ti12 S12 Cl72 O12"
_cell_length_a 19.896288
_cell_length_b 16.3775612
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta ... |
SuperCellAction | de972749-b193-4d32-a0ed-f6cb657d4bbc | mp-1182382 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Ca2O20
_chemical_formula_sum "Ca2 O20"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_nu... | data_image0
_chemical_formula_structural Ca2O20Ca2O20Ca2O20Ca2O20
_chemical_formula_sum "Ca8 O80"
_cell_length_a 22.435392
_cell_length_b 5.608848
_cell_length_c 8.40503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | 74f66b1e-1db8-4394-a3cb-38674c470ca1 | mp-1228061 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba4Cu2IBrO4Ba4Cu2IBrO4Ba4Cu2IBrO4Ba4Cu2IBrO4
_chemical_formula_sum "Ba16 Cu8 I4 Br4 O16"
_cell_length_a 8.775196
_cell_length_b 15.195456
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 342f2f2a-db35-4a87-94da-105505efa704 | mp-24674 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Be6P4H8O20
_chemical_formula_sum "Be6 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_gr... | data_image0
_chemical_formula_structural Be6P4H8O20Be6P4H8O20Be6P4H8O20Be6P4H8O20Be6P4H8O20Be6P4H8O20
_chemical_formula_sum "Be36 P24 H48 O120"
_cell_length_a 8.40993268
_cell_length_b 25.229798040000002
_cell_length_c 19.2926399
_cell_angle_alpha 85.36159719
_cell_angle_beta ... |
SuperCellAction | 61ef8d1f-323f-4e63-816e-d473a1cc2d79 | mp-1213937 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24Cr10Cu2Ge4O24Cr10Cu2Ge4O24Cr10Cu2Ge4O24Cr10Cu2Ge4O24Cr10Cu2Ge4O24Cr10Cu2Ge4O24Cr10Cu2Ge4O24
_chemical_formula_sum "Cr80 Cu16 Ge32 O192"
_cell_length_a 38.44722732
_cell_length_b 9.61180683
_cell_length_c 12.100576
_cell_angle_alp... |
SuperCellAction | a63cdb25-e923-4dde-8e1c-af2e6b963044 | mp-1112637 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Cs2TlCuF6
_chemical_formula_sum "Cs2 Tl1 Cu1 F6"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Cs2TlCuF6Cs2TlCuF6Cs2TlCuF6Cs2TlCuF6
_chemical_formula_sum "Cs8 Tl4 Cu4 F24"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 25.40180984
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986... |
SuperCellAction | 6810404c-554e-40a5-a718-ad061fd2a768 | mp-1245065 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Al40O60
_chemical_formula_sum "Al40 O60"
_cell_length_a 10.70168287
_cell_length_b 10.210161070000002
_cell_length_c 10.265134760000002
_cell_angle_alpha 94.11714713
_cell_angle_beta 87.6274472
_cell_angle_gamma 99.61043361999998
_... | data_image0
_chemical_formula_structural Al40O60Al40O60Al40O60Al40O60
_chemical_formula_sum "Al160 O240"
_cell_length_a 10.70168287
_cell_length_b 10.210161070000002
_cell_length_c 41.06053904000001
_cell_angle_alpha 94.11714713
_cell_angle_beta 87.6274472
_cell_angle_gamma ... |
SuperCellAction | b44580e9-3727-45aa-8670-a95a9eee1844 | mp-769928 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8Li4NbV3O8Li4NbV3O8Li4NbV3O8Li4NbV3O8Li4NbV3O8
_chemical_formula_sum "Li24 Nb6 V18 O48"
_cell_length_a 31.73600334
_cell_length_b 21.19076196
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.1... |
SuperCellAction | a2a454ee-71ac-4c95-8881-5f616102264b | mp-26845 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Li6Mn4P6O24
_chemical_formula_sum "Li6 Mn4 P6 O24"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... | data_image0
_chemical_formula_structural Li6Mn4P6O24Li6Mn4P6O24Li6Mn4P6O24Li6Mn4P6O24Li6Mn4P6O24Li6Mn4P6O24Li6Mn4P6O24Li6Mn4P6O24
_chemical_formula_sum "Li48 Mn32 P48 O192"
_cell_length_a 35.27981236
_cell_length_b 8.81995309
_cell_length_c 23.031391760000005
_cell_angle_alpha 45... |
SuperCellAction | 59441923-2b9d-49c8-975c-29960d614212 | mp-1208346 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Tb4Fe4B16
_chemical_formula_sum "Tb4 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_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 Tb4Fe4B16Tb4Fe4B16Tb4Fe4B16Tb4Fe4B16
_chemical_formula_sum "Tb16 Fe16 B64"
_cell_length_a 6.85754042
_cell_length_b 5.90351878
_cell_length_c 22.8670033
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | ee62c461-ca90-4d1e-a1eb-09e1c959318f | mp-1369271 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12Ti2Zn4Sb2O12Ti2Zn4Sb2O12Ti2Zn4Sb2O12Ti2Zn4Sb2O12Ti2Zn4Sb2O12
_chemical_formula_sum "Ti12 Zn24 Sb12 O72"
_cell_length_a 15.72354
_cell_length_b 15.889317000000002
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_ang... |
SuperCellAction | 49c4a933-1733-49d0-8a05-7f9bd195a7e1 | mp-2217604 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural La2MgNi2O6
_chemical_formula_sum "La2 Mg1 Ni2 O6"
_cell_length_a 6.56906692
_cell_length_b 5.819623720000001
_cell_length_c 5.53164284
_cell_angle_alpha 68.87395837
_cell_angle_beta 65.37223024
_cell_angle_gamma 49.43208672000001
_... | data_image0
_chemical_formula_structural La2MgNi2O6La2MgNi2O6La2MgNi2O6La2MgNi2O6La2MgNi2O6La2MgNi2O6
_chemical_formula_sum "La12 Mg6 Ni12 O36"
_cell_length_a 19.70720076
_cell_length_b 11.639247440000002
_cell_length_c 5.53164284
_cell_angle_alpha 68.87395837
_cell_angle_beta ... |
SuperCellAction | b805369e-5dfd-4d22-b7ca-b58bbaeddbce | mp-722271 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural H28Ru2S4N8O12
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural H28Ru2S4N8O12H28Ru2S4N8O12H28Ru2S4N8O12H28Ru2S4N8O12H28Ru2S4N8O12H28Ru2S4N8O12
_chemical_formula_sum "H168 Ru12 S24 N48 O72"
_cell_length_a 14.183584
_cell_length_b 6.315075
_cell_length_c 35.30064996
_cell_angle_alpha 65.59141609
_cell_an... |
SuperCellAction | ee9641d6-489e-47f4-8cd9-10d0fc3ed21c | mp-1040333 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Mg30TiCO32
_chemical_formula_sum "Mg30 Ti1 C1 O32"
_cell_length_a 8.489816
_cell_length_b 8.489816
_cell_length_c 8.641078
_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 Mg30TiCO32Mg30TiCO32Mg30TiCO32Mg30TiCO32Mg30TiCO32Mg30TiCO32Mg30TiCO32Mg30TiCO32
_chemical_formula_sum "Mg240 Ti8 C8 O256"
_cell_length_a 33.959264
_cell_length_b 8.489816
_cell_length_c 17.282156
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | be6f8fe6-9fb1-41cb-a8e4-f2032cc7be71 | mp-1195087 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_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 Tl16Pb4Se12Tl16Pb4Se12Tl16Pb4Se12Tl16Pb4Se12Tl16Pb4Se12Tl16Pb4Se12Tl16Pb4Se12Tl16Pb4Se12
_chemical_formula_sum "Tl128 Pb32 Se96"
_cell_length_a 17.11012814
_cell_length_b 8.55506407
_cell_length_c 52.30729792
_cell_angle_alpha 90.0
_cell_a... |
SuperCellAction | 309785de-46b0-43de-8ed7-31c6e93dea63 | mp-1227155 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Ca4Mg4Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Mg4Zn4Ca4Mg4Zn4Ca4Mg4Zn4Ca4Mg4Zn4Ca4Mg4Zn4Ca4Mg4Zn4Ca4Mg4Zn4Ca4Mg4Zn4
_chemical_formula_sum "Ca32 Mg32 Zn32"
_cell_length_a 11.69458336
_cell_length_b 23.38916672
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | f9b1d091-e5ea-4ac7-9ebf-d069d97acc44 | mp-1210688 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Na11TiNb2Si4P2O24F2
_chemical_formula_sum "Na11 Ti1 Nb2 Si4 P2 O24 F2"
_cell_length_a 5.617235
_cell_length_b 7.28603345
_cell_length_c 14.706664049999999
_cell_angle_alpha 92.80692553
_cell_angle_beta 95.61673149
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Na11TiNb2Si4P2O24F2Na11TiNb2Si4P2O24F2Na11TiNb2Si4P2O24F2Na11TiNb2Si4P2O24F2
_chemical_formula_sum "Na44 Ti4 Nb8 Si16 P8 O96 F8"
_cell_length_a 22.46894
_cell_length_b 7.28603345
_cell_length_c 14.706664049999999
_cell_angle_alpha 92.80692... |
SuperCellAction | 0176ca2b-db5f-4b06-ab88-8a50e639ee4e | mp-1332857 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Mn16Zn8O32
_chemical_formula_sum "Mn16 Zn8 O32"
_cell_length_a 6.08388035
_cell_length_b 6.083880349999999
_cell_length_c 20.13315765
_cell_angle_alpha 81.59376542
_cell_angle_beta 81.59376542
_cell_angle_gamma 59.72851362
_space_g... | data_image0
_chemical_formula_structural Mn16Zn8O32Mn16Zn8O32Mn16Zn8O32Mn16Zn8O32Mn16Zn8O32Mn16Zn8O32
_chemical_formula_sum "Mn96 Zn48 O192"
_cell_length_a 6.08388035
_cell_length_b 12.167760699999999
_cell_length_c 60.39947295
_cell_angle_alpha 81.59376542
_cell_angle_beta 8... |
SuperCellAction | fd609955-ce71-43c0-863e-88c222b46946 | mp-1210254 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Ni4O16F8Ni4O16F8Ni4O16F8Ni4O16F8
_chemical_formula_sum "Ni16 O64 F32"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 45.729812
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
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