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 | e8fee217-393f-414b-8a31-aa9c7409efbb | mp-1027627 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te2Mo4Se2S4Te2Mo4Se2S4Te2Mo4Se2S4Te2Mo4Se2S4
_chemical_formula_sum "Te8 Mo16 Se8 S16"
_cell_length_a 3.30911865
_cell_length_b 6.6182373
_cell_length_c 75.16762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000... |
SuperCellAction | 3c056bd6-1697-48f4-a502-14d8d9b28297 | mp-695175 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60Na3Sr14Nd3Ti20O60Na3Sr14Nd3Ti20O60Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na12 Sr56 Nd12 Ti80 O240"
_cell_length_a 5.53353707
_cell_length_b 22.134148280000005
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_b... |
SuperCellAction | 721f1851-9c2e-4c22-a625-031c81832ec6 | mp-770527 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn8O18Li4Mn8O18
_chemical_formula_sum "Li8 Mn16 O36"
_cell_length_a 4.93901349
_cell_length_b 9.87802698
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_... |
SuperCellAction | 63d2101a-ce7d-4bd6-b1c9-bcc54a7cb7cc | mp-885434 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... | data_image0
_chemical_formula_structural K2Li4Fe2O6K2Li4Fe2O6K2Li4Fe2O6K2Li4Fe2O6K2Li4Fe2O6K2Li4Fe2O6K2Li4Fe2O6K2Li4Fe2O6
_chemical_formula_sum "K16 Li32 Fe16 O48"
_cell_length_a 21.97907892
_cell_length_b 10.98953946
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
... |
SuperCellAction | 8e5ee92f-3eaf-4bba-8d68-94e70e3db72f | mp-755181 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7V4O5F7
_chemical_formula_sum "V8 O10 F14"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 17.58057086
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_gr... |
SuperCellAction | c2432ac0-69d6-4891-8701-c5d4e67924fe | mp-573073 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38
_chemical_formula_sum "Cs112 Cu96 F304"
_cell_length_a 12.50781848
_cell_length_b 22.88145526
_cell_length_c 31.703389119999997
_cell_angle_alpha 82.6... |
SuperCellAction | 05690d39-603d-4ce7-a23b-ba2aa1c5dfdb | mp-1095343 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Ca4Mg6Si2
_chemical_formula_sum "Ca4 Mg6 Si2"
_cell_length_a 6.05656735
_cell_length_b 6.05656735
_cell_length_c 9.461633
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999293
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Mg6Si2Ca4Mg6Si2Ca4Mg6Si2Ca4Mg6Si2Ca4Mg6Si2Ca4Mg6Si2
_chemical_formula_sum "Ca24 Mg36 Si12"
_cell_length_a 6.05656735
_cell_length_b 18.169702049999998
_cell_length_c 18.923266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 3e44e314-8643-4565-9e76-085903a25ac9 | mp-861293 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Li16Ni2O8F4
_chemical_formula_sum "Li16 Ni2 O8 F4"
_cell_length_a 5.43993172
_cell_length_b 5.18163322
_cell_length_c 10.51516735
_cell_angle_alpha 79.76806078
_cell_angle_beta 76.84242325
_cell_angle_gamma 63.99654066
_space_group... | data_image0
_chemical_formula_structural Li16Ni2O8F4Li16Ni2O8F4Li16Ni2O8F4Li16Ni2O8F4Li16Ni2O8F4Li16Ni2O8F4
_chemical_formula_sum "Li96 Ni12 O48 F24"
_cell_length_a 5.43993172
_cell_length_b 10.36326644
_cell_length_c 31.545502050000003
_cell_angle_alpha 79.76806078
_cell_angle_b... |
SuperCellAction | bb6af0ea-8f42-4908-b966-eabc5207baca | mp-989647 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 Y4Re4N12Y4Re4N12Y4Re4N12Y4Re4N12Y4Re4N12Y4Re4N12
_chemical_formula_sum "Y24 Re24 N72"
_cell_length_a 10.7658898
_cell_length_b 16.786721789999998
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | f9029ce6-35b3-4f62-a75b-370de6815d5b | mp-776680 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural TiMn2Ni3P6O24
_chemical_formula_sum "Ti1 Mn2 Ni3 P6 O24"
_cell_length_a 8.55608297
_cell_length_b 8.55608297
_cell_length_c 8.55608298
_cell_angle_alpha 60.853267769999995
_cell_angle_beta 60.853267769999995
_cell_angle_gamma 60.853... | data_image0
_chemical_formula_structural TiMn2Ni3P6O24TiMn2Ni3P6O24TiMn2Ni3P6O24TiMn2Ni3P6O24
_chemical_formula_sum "Ti4 Mn8 Ni12 P24 O96"
_cell_length_a 17.11216594
_cell_length_b 8.55608297
_cell_length_c 17.11216596
_cell_angle_alpha 60.853267769999995
_cell_angle_beta 60.... |
SuperCellAction | 34c4c529-029f-4d3b-a94e-fdd8d04324e9 | mp-756803 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe4NiO8Li3Fe4NiO8Li3Fe4NiO8Li3Fe4NiO8Li3Fe4NiO8Li3Fe4NiO8Li3Fe4NiO8Li3Fe4NiO8
_chemical_formula_sum "Li24 Fe32 Ni8 O64"
_cell_length_a 11.99759994
_cell_length_b 5.99879997
_cell_length_c 23.94998392
_cell_angle_alpha 60.26840743
_cell_... |
SuperCellAction | 59dd8c73-dec7-455a-85fb-123a1209b971 | mp-1111700 | Create a supercell with the size 2*4*1. | 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 | c18c3b1e-5e79-4c55-b7a5-eaa049a5f377 | mp-1232277 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Sm6Mg6S18
_chemical_formula_sum "Sm6 Mg6 S18"
_cell_length_a 6.855687
_cell_length_b 6.85568666
_cell_length_c 17.754389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999680999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm6Mg6S18Sm6Mg6S18Sm6Mg6S18Sm6Mg6S18
_chemical_formula_sum "Sm24 Mg24 S72"
_cell_length_a 6.855687
_cell_length_b 13.71137332
_cell_length_c 35.508778
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999680999998... |
SuperCellAction | 8562160e-b0b8-4d44-aa90-31b754f10d6c | mp-554072 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural K4C2O6
_chemical_formula_sum "K4 C2 O6"
_cell_length_a 5.59586248
_cell_length_b 5.74233989
_cell_length_c 6.7059935
_cell_angle_alpha 84.65593184
_cell_angle_beta 78.98018179
_cell_angle_gamma 60.840285819999984
_space_group_name_... | data_image0
_chemical_formula_structural K4C2O6K4C2O6K4C2O6K4C2O6
_chemical_formula_sum "K16 C8 O24"
_cell_length_a 5.59586248
_cell_length_b 22.96935956
_cell_length_c 6.7059935
_cell_angle_alpha 84.65593184
_cell_angle_beta 78.98018179
_cell_angle_gamma 60.84028581999998... |
SuperCellAction | 2ebae6fb-279f-40b0-a5cf-3dc3d6195784 | mp-1029153 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2Te2Mo2W2Se4S2Te2Mo2W2Se4S2Te2Mo2W2Se4S2
_chemical_formula_sum "Te8 Mo8 W8 Se16 S8"
_cell_length_a 6.68334154
_cell_length_b 3.34167077
_cell_length_c 76.075816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 3095f058-a721-4989-9672-825e5e8a2300 | mp-997504 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F10Cu6O2F10Cu6O2F10
_chemical_formula_sum "Cu18 O6 F30"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 16.16312757
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 1... |
SuperCellAction | 4376de3c-99f5-4c49-8214-8e9b3f27eec3 | mp-2241417 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na2MgMn2O8Na2MgMn2O8
_chemical_formula_sum "Na4 Mg2 Mn4 O16"
_cell_length_a 11.47183844
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_gr... |
SuperCellAction | 14fba379-3b96-41be-a0b1-04fef2f9ef8f | mp-2230732 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... | data_image0
_chemical_formula_structural MgFe6O11FMgFe6O11FMgFe6O11FMgFe6O11FMgFe6O11FMgFe6O11F
_chemical_formula_sum "Mg6 Fe36 O66 F6"
_cell_length_a 9.71892112
_cell_length_b 22.36648149
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_c... |
SuperCellAction | af46b98e-6c09-4fba-92ad-33080f50dac2 | mp-561176 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb8P4O4F52Sb8P4O4F52
_chemical_formula_sum "Sb16 P8 O8 F104"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 21.147599
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SuperCellAction | 98aef866-6861-48a6-9146-feb4c03a7273 | mp-759285 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Li4Fe7O2F14
_chemical_formula_sum "Li4 Fe7 O2 F14"
_cell_length_a 6.187905
_cell_length_b 6.22051538
_cell_length_c 10.776466370000001
_cell_angle_alpha 91.03348126
_cell_angle_beta 105.74202947
_cell_angle_gamma 119.43502851
_spac... | data_image0
_chemical_formula_structural Li4Fe7O2F14Li4Fe7O2F14Li4Fe7O2F14Li4Fe7O2F14Li4Fe7O2F14Li4Fe7O2F14
_chemical_formula_sum "Li24 Fe42 O12 F84"
_cell_length_a 6.187905
_cell_length_b 12.44103076
_cell_length_c 32.329399110000004
_cell_angle_alpha 91.03348126
_cell_angle_bet... |
SuperCellAction | 3f258a21-a3e7-4508-878e-ed3bbd35708c | mp-1046918 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... | data_image0
_chemical_formula_structural Ca4Ti4O8Ca4Ti4O8Ca4Ti4O8Ca4Ti4O8
_chemical_formula_sum "Ca16 Ti16 O32"
_cell_length_a 5.97439984
_cell_length_b 16.87559078
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.798... |
SuperCellAction | 51891bf7-7054-4bdb-abd1-48d8713ab2b2 | mp-1246600 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Ba6Cu2N6
_chemical_formula_sum "Ba6 Cu2 N6"
_cell_length_a 8.09362701
_cell_length_b 8.09295231
_cell_length_c 5.704156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99708753
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ba6Cu2N6Ba6Cu2N6Ba6Cu2N6
_chemical_formula_sum "Ba18 Cu6 N18"
_cell_length_a 8.09362701
_cell_length_b 24.278856929999996
_cell_length_c 5.704156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99708753
_space_gr... |
SuperCellAction | b41281fa-997b-476b-a111-e3b75b79a739 | mp-571569 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd9I18Cd9I18Cd9I18Cd9I18
_chemical_formula_sum "Cd36 I72"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 257.49126296
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_grou... |
SuperCellAction | 6b3f92c9-a5ee-410a-bd86-aacf630bc985 | mp-772150 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Li4Ti26O44
_chemical_formula_sum "Li4 Ti26 O44"
_cell_length_a 7.67994716
_cell_length_b 7.67994716
_cell_length_c 14.056681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.84195336
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ti26O44Li4Ti26O44Li4Ti26O44Li4Ti26O44Li4Ti26O44Li4Ti26O44Li4Ti26O44Li4Ti26O44
_chemical_formula_sum "Li32 Ti208 O352"
_cell_length_a 15.35989432
_cell_length_b 30.71978864
_cell_length_c 14.056681
_cell_angle_alpha 90.0
_cell_angle_beta... |
SuperCellAction | cb8ca524-2eb8-49c0-a01d-9356f873e9b8 | mp-2232113 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... | data_image0
_chemical_formula_structural MgFe4Hg2O8MgFe4Hg2O8MgFe4Hg2O8
_chemical_formula_sum "Mg3 Fe12 Hg6 O24"
_cell_length_a 6.22845674
_cell_length_b 19.672152389999997
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle... |
SuperCellAction | c386d947-39d1-42f7-8dd4-d47a7890e668 | mp-766004 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... | data_image0
_chemical_formula_structural Li8V4C8O24Li8V4C8O24Li8V4C8O24Li8V4C8O24Li8V4C8O24Li8V4C8O24Li8V4C8O24Li8V4C8O24
_chemical_formula_sum "Li64 V32 C64 O192"
_cell_length_a 19.616316
_cell_length_b 26.0814204
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_... |
SuperCellAction | 65a5344b-3490-4fd2-bcfb-07463ec359f6 | mp-2230732 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... | data_image0
_chemical_formula_structural MgFe6O11FMgFe6O11FMgFe6O11FMgFe6O11FMgFe6O11FMgFe6O11FMgFe6O11FMgFe6O11F
_chemical_formula_sum "Mg8 Fe48 O88 F8"
_cell_length_a 9.71892112
_cell_length_b 29.82197532
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta ... |
SuperCellAction | 8bab370a-2da5-4965-ac3b-c750b62012c5 | mp-2713621 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na24 Zr8 Ti8 Si16 P8 O96"
_cell_length_a 31.40119502
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell... |
SuperCellAction | f96804c6-2447-4bb0-9aa0-2a9723a5a70a | mp-1207428 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4
_chemical_formula_sum "Zr16 Ni16 As16"
_cell_length_a 7.75509674
_cell_length_b 13.00522964
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 6abd9bfe-ee19-4a03-83a3-c911cf6ec586 | mp-1194492 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al4Te2S2O18Al4Te2S2O18Al4Te2S2O18
_chemical_formula_sum "Al12 Te6 S6 O54"
_cell_length_a 28.601015999999998
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 2e938979-b006-43d7-a549-0c84fbea4be6 | mp-850445 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Na6Zn8As6H24O38
_chemical_formula_sum "Na6 Zn8 As6 H24 O38"
_cell_length_a 10.99717487
_cell_length_b 10.99717487
_cell_length_c 10.99717513
_cell_angle_alpha 60.66908433
_cell_angle_beta 60.66908433
_cell_angle_gamma 60.66908747999... | data_image0
_chemical_formula_structural Na6Zn8As6H24O38Na6Zn8As6H24O38Na6Zn8As6H24O38Na6Zn8As6H24O38Na6Zn8As6H24O38Na6Zn8As6H24O38
_chemical_formula_sum "Na36 Zn48 As36 H144 O228"
_cell_length_a 32.99152461
_cell_length_b 21.99434974
_cell_length_c 10.99717513
_cell_angle_alpha ... |
SuperCellAction | 88a12489-9ac3-4400-8941-5755fbba5461 | mp-772149 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Sm8Ge8O28
_chemical_formula_sum "Sm8 Ge8 O28"
_cell_length_a 6.90826558
_cell_length_b 6.90239741
_cell_length_c 12.435522049999998
_cell_angle_alpha 93.65715325999999
_cell_angle_beta 91.28990938
_cell_angle_gamma 91.89077831
_spa... | data_image0
_chemical_formula_structural Sm8Ge8O28Sm8Ge8O28Sm8Ge8O28Sm8Ge8O28
_chemical_formula_sum "Sm32 Ge32 O112"
_cell_length_a 6.90826558
_cell_length_b 6.90239741
_cell_length_c 49.74208819999999
_cell_angle_alpha 93.65715325999999
_cell_angle_beta 91.28990938
_cell_ang... |
SuperCellAction | fe82457a-22c6-4172-b700-325115c11d6c | mp-28481 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural Ti2Cl8O32Ti2Cl8O32Ti2Cl8O32
_chemical_formula_sum "Ti6 Cl24 O96"
_cell_length_a 7.36965456
_cell_length_b 22.10878986
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777... |
SuperCellAction | 47e66038-0008-40f5-89f2-b60db56e7f0f | mp-765641 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32
_chemical_formula_sum "Li64 Fe64 P64 O256"
_cell_length_a 4.935367
_cell_length_b 15.40447
_cell_length_c 73.9177892
_cell_angle_alpha 89.25448525
_ce... |
SuperCellAction | d54b474d-914b-42c2-9dd1-657bccf75d5c | mp-1192384 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Dy4W4Br4O16
_chemical_formula_sum "Dy4 W4 Br4 O16"
_cell_length_a 6.994129
_cell_length_b 7.32133539
_cell_length_c 11.08389912
_cell_angle_alpha 104.39430596000001
_cell_angle_beta 107.88295586
_cell_angle_gamma 93.82427121
_space... | data_image0
_chemical_formula_structural Dy4W4Br4O16Dy4W4Br4O16Dy4W4Br4O16Dy4W4Br4O16Dy4W4Br4O16Dy4W4Br4O16Dy4W4Br4O16Dy4W4Br4O16
_chemical_formula_sum "Dy32 W32 Br32 O128"
_cell_length_a 13.988258
_cell_length_b 29.28534156
_cell_length_c 11.08389912
_cell_angle_alpha 104.394305... |
SuperCellAction | 8d920ebe-8c49-4ae6-9348-72f5f81bf58a | mp-1200475 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... | data_image0
_chemical_formula_structural U2B16O34U2B16O34U2B16O34U2B16O34U2B16O34U2B16O34U2B16O34U2B16O34
_chemical_formula_sum "U16 B128 O272"
_cell_length_a 8.97706869
_cell_length_b 17.95413738
_cell_length_c 44.500733399999994
_cell_angle_alpha 89.98961474
_cell_angle_beta ... |
SuperCellAction | bb800cf5-34d8-4ca6-a24b-6b955c12c848 | mp-1205859 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural KRb2PdF6
_chemical_formula_sum "K1 Rb2 Pd1 F6"
_cell_length_a 6.383033
_cell_length_b 6.383033
_cell_length_c 6.53945419
_cell_angle_alpha 119.21184546000002
_cell_angle_beta 119.21184546000002
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural KRb2PdF6KRb2PdF6KRb2PdF6KRb2PdF6
_chemical_formula_sum "K4 Rb8 Pd4 F24"
_cell_length_a 6.383033
_cell_length_b 6.383033
_cell_length_c 26.15781676
_cell_angle_alpha 119.21184546000002
_cell_angle_beta 119.21184546000002
_cell_angle_gam... |
SuperCellAction | 1c55a759-2fa8-4621-9d85-5f6ab60a3979 | mp-1233985 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Ba10MgAs6Cl2O24
_chemical_formula_sum "Ba10 Mg1 As6 Cl2 O24"
_cell_length_a 10.77824621
_cell_length_b 10.77414381
_cell_length_c 8.31184086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.07563411999999
_space_g... | data_image0
_chemical_formula_structural Ba10MgAs6Cl2O24Ba10MgAs6Cl2O24Ba10MgAs6Cl2O24Ba10MgAs6Cl2O24Ba10MgAs6Cl2O24Ba10MgAs6Cl2O24
_chemical_formula_sum "Ba60 Mg6 As36 Cl12 O144"
_cell_length_a 10.77824621
_cell_length_b 32.32243143
_cell_length_c 16.62368172
_cell_angle_alpha 9... |
SuperCellAction | 75814e64-b5ae-47b6-aa9f-cd865f48ab5e | mp-762220 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_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 Li8Cu8P8O32Li8Cu8P8O32Li8Cu8P8O32Li8Cu8P8O32
_chemical_formula_sum "Li32 Cu32 P32 O128"
_cell_length_a 10.942554
_cell_length_b 15.179894
_cell_length_c 15.418015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | adf78caf-7308-43fc-82ee-82da2b336a2a | mp-1191086 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7
_chemical_formula_sum "Nd12 Mn18 Cu54 P42"
_cell_length_a 9.52202874
_cell_length_b 28.566086220000003
_cell_length_c 7.653228
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 6a370cf2-db12-488b-afcb-aa5eb9a17593 | mp-754801 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O13Li3Ti6O13Li3Ti6O13Li3Ti6O13Li3Ti6O13Li3Ti6O13Li3Ti6O13Li3Ti6O13
_chemical_formula_sum "Li24 Ti48 O104"
_cell_length_a 12.67943132
_cell_length_b 6.33971566
_cell_length_c 42.05876912
_cell_angle_alpha 79.81631376
_cell_angle_beta ... |
SuperCellAction | f49c4021-0786-4901-bb26-254dbc01cc92 | mp-540267 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14Cr2P4O14Cr2P4O14Cr2P4O14
_chemical_formula_sum "Cr8 P16 O56"
_cell_length_a 12.671752
_cell_length_b 12.830525959999997
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma ... |
SuperCellAction | 09fd7136-6600-47a9-b9b0-c17faeff5c37 | mp-11609 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4
_chemical_formula_sum "Sb8 Mo16 S16"
_cell_length_a 3.20347563
_cell_length_b 26.23113464
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 264e86fa-d1ab-4d16-ad89-da4f8f496658 | mp-753734 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12Mn4Cr2O12
_chemical_formula_sum "Mn24 Cr12 O72"
_cell_length_a 5.07693485
_cell_length_b 10.1538697
_cell_length_c 28.831569000000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | b62f793b-3fb0-49d2-ac35-1024edc8860a | mp-24473 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16
_chemical_formula_sum "Be16 P16 H64 N16 O64"
_cell_length_a 4.92650173
_cell_length_b 17.17416116
_cell_length_c 17.41981076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | faf57efd-1f12-4359-ac5b-a2184c62d124 | mp-2230050 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... | data_image0
_chemical_formula_structural MgFe6O6F6MgFe6O6F6MgFe6O6F6MgFe6O6F6
_chemical_formula_sum "Mg4 Fe24 O24 F24"
_cell_length_a 5.29770932
_cell_length_b 21.36296832
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_a... |
SuperCellAction | 1ac839dd-0aab-441e-b13d-40f808229610 | mp-1516542 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural BaCaCeNbO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Nb1 O6"
_cell_length_a 6.07376453
_cell_length_b 6.07376453
_cell_length_c 6.07376453
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural BaCaCeNbO6BaCaCeNbO6BaCaCeNbO6BaCaCeNbO6
_chemical_formula_sum "Ba4 Ca4 Ce4 Nb4 O24"
_cell_length_a 6.07376453
_cell_length_b 24.29505812
_cell_length_c 6.07376453
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999... |
SuperCellAction | a59c6168-759a-4caa-bb83-18eef0284b62 | mp-553374 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Cs4Sb2O5
_chemical_formula_sum "Cs4 Sb2 O5"
_cell_length_a 6.37456796
_cell_length_b 6.37457746
_cell_length_c 8.16299331
_cell_angle_alpha 82.39049071
_cell_angle_beta 82.39056568
_cell_angle_gamma 66.18520179
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs4Sb2O5Cs4Sb2O5Cs4Sb2O5
_chemical_formula_sum "Cs12 Sb6 O15"
_cell_length_a 6.37456796
_cell_length_b 19.12373238
_cell_length_c 8.16299331
_cell_angle_alpha 82.39049071
_cell_angle_beta 82.39056568
_cell_angle_gamma 66.18520178999... |
SuperCellAction | db4ed687-a775-426a-929f-92b462543b50 | mp-1029063 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4Te2Mo2W2Se2S4Te2Mo2W2Se2S4Te2Mo2W2Se2S4
_chemical_formula_sum "Te8 Mo8 W8 Se8 S16"
_cell_length_a 3.30870784
_cell_length_b 13.234831360000001
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | fcc53a6e-3b49-4f19-9a05-feee2799af66 | mp-1228248 | Create a supercell with the size 1X2X1. | 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 Ba4NdYCu8O16Ba4NdYCu8O16
_chemical_formula_sum "Ba8 Nd2 Y2 Cu16 O32"
_cell_length_a 3.922374
_cell_length_b 7.853788
_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... |
SuperCellAction | 2a2ee2d6-2879-4002-b3bd-ab5a3338a79f | mp-861986 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Pr10Al4Ru6Pr10Al4Ru6Pr10Al4Ru6Pr10Al4Ru6Pr10Al4Ru6Pr10Al4Ru6
_chemical_formula_sum "Pr60 Al24 Ru36"
_cell_length_a 25.739571570000003
_cell_length_b 17.15971438
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta ... |
SuperCellAction | 2b39796d-d1d3-489a-84d1-e5c5cb9daf74 | mp-29717 | Create a supercell with the size 2*1*1. | 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 Ag4W24Br56Ag4W24Br56
_chemical_formula_sum "Ag8 W48 Br112"
_cell_length_a 27.522006
_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 ... |
SuperCellAction | bc8220ce-6d65-488a-8985-cd7cfecfbacd | mp-1244893 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Al32O12
_chemical_formula_sum "Al32 O12"
_cell_length_a 5.73023793
_cell_length_b 5.73829885
_cell_length_c 49.64508371
_cell_angle_alpha 92.01092030000001
_cell_angle_beta 91.56035934999998
_cell_angle_gamma 59.58455244000002
_spa... | data_image0
_chemical_formula_structural Al32O12Al32O12Al32O12Al32O12Al32O12Al32O12
_chemical_formula_sum "Al192 O72"
_cell_length_a 5.73023793
_cell_length_b 11.4765977
_cell_length_c 148.93525112999998
_cell_angle_alpha 92.01092030000001
_cell_angle_beta 91.56035934999998
_... |
SuperCellAction | db5fa109-ebc7-4778-b6e4-722513ce7cf3 | mp-26220 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Mn2P2O8
_chemical_formula_sum "Mn2 P2 O8"
_cell_length_a 4.72858699
_cell_length_b 4.72858125
_cell_length_c 6.571448999999999
_cell_angle_alpha 89.99848461
_cell_angle_beta 90.00121092999998
_cell_angle_gamma 68.34928989
_space_gr... | data_image0
_chemical_formula_structural Mn2P2O8Mn2P2O8Mn2P2O8Mn2P2O8
_chemical_formula_sum "Mn8 P8 O32"
_cell_length_a 4.72858699
_cell_length_b 4.72858125
_cell_length_c 26.285795999999998
_cell_angle_alpha 89.99848461
_cell_angle_beta 90.00121092999998
_cell_angle_gamma ... |
SuperCellAction | 5665eb51-0898-4d9b-935e-79100d937937 | mp-1026887 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Mg14CuC
_chemical_formula_sum "Mg14 Cu1 C1"
_cell_length_a 6.14614547
_cell_length_b 6.146145009999999
_cell_length_c 9.85098463
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000243999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Mg14CuCMg14CuC
_chemical_formula_sum "Mg28 Cu2 C2"
_cell_length_a 12.29229094
_cell_length_b 6.146145009999999
_cell_length_c 9.85098463
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000243999999
_space_group... |
SuperCellAction | c463b146-a645-499b-822d-4831a45b5197 | mp-1208367 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Th6Co8Sn26
_chemical_formula_sum "Th6 Co8 Sn26"
_cell_length_a 9.64449
_cell_length_b 9.64449
_cell_length_c 9.64449
_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 Th6Co8Sn26Th6Co8Sn26Th6Co8Sn26Th6Co8Sn26
_chemical_formula_sum "Th24 Co32 Sn104"
_cell_length_a 9.64449
_cell_length_b 38.57796
_cell_length_c 9.64449
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 46d87378-8eae-4086-a54b-ad232a850969 | mp-1233593 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O16Ho2MgAg2W4O16Ho2MgAg2W4O16Ho2MgAg2W4O16Ho2MgAg2W4O16Ho2MgAg2W4O16Ho2MgAg2W4O16Ho2MgAg2W4O16
_chemical_formula_sum "Ho16 Mg8 Ag16 W32 O128"
_cell_length_a 14.93712564
_cell_length_b 32.2736756
_cell_length_c 7.43717596
_cell_angle... |
SuperCellAction | 9e43982d-e45b-4b8a-8d21-662805795dea | mp-758323 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24Li2Ti3CoP6O24Li2Ti3CoP6O24Li2Ti3CoP6O24
_chemical_formula_sum "Li8 Ti12 Co4 P24 O96"
_cell_length_a 34.58947108
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
... |
SuperCellAction | ecb76f78-1241-4972-9168-332e07d8afcb | mp-1181784 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural K2MgMo2H4O10
_chemical_formula_sum "K2 Mg1 Mo2 H4 O10"
_cell_length_a 6.00896235
_cell_length_b 6.5502693999999995
_cell_length_c 7.9563935500000005
_cell_angle_alpha 111.39242719
_cell_angle_beta 96.77130034
_cell_angle_gamma 109.0... | data_image0
_chemical_formula_structural K2MgMo2H4O10K2MgMo2H4O10K2MgMo2H4O10K2MgMo2H4O10K2MgMo2H4O10K2MgMo2H4O10
_chemical_formula_sum "K12 Mg6 Mo12 H24 O60"
_cell_length_a 12.0179247
_cell_length_b 19.6508082
_cell_length_c 7.9563935500000005
_cell_angle_alpha 111.39242719
_cel... |
SuperCellAction | a9eaa0e8-9ef2-4922-811a-89024b0be482 | mp-6192 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural Ba2DySbO6Ba2DySbO6Ba2DySbO6Ba2DySbO6Ba2DySbO6Ba2DySbO6
_chemical_formula_sum "Ba12 Dy6 Sb6 O36"
_cell_length_a 6.02709395
_cell_length_b 12.054187900000002
_cell_length_c 18.08128185
_cell_angle_alpha 59.999999999999986
_cell_angle_beta ... |
SuperCellAction | a8e62011-f366-47d5-8d75-eb1f8a70e379 | mp-776235 | Create a supercell with the size 2×1×1. | 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 6.247636
_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"
_spa... |
SuperCellAction | 4ea153f3-3135-4eff-a023-af46b6e268d3 | mp-1206879 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural K3AuF6K3AuF6K3AuF6K3AuF6K3AuF6K3AuF6
_chemical_formula_sum "K18 Au6 F36"
_cell_length_a 20.94301329
_cell_length_b 16.63726948
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamm... |
SuperCellAction | a0bac62e-43ca-47e5-888c-8d80109cfe04 | mp-756638 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... | data_image0
_chemical_formula_structural Nb2Rh2O8Nb2Rh2O8Nb2Rh2O8Nb2Rh2O8Nb2Rh2O8Nb2Rh2O8Nb2Rh2O8Nb2Rh2O8
_chemical_formula_sum "Nb16 Rh16 O64"
_cell_length_a 5.63372957
_cell_length_b 11.26745836
_cell_length_c 22.5348992
_cell_angle_alpha 106.66258274999998
_cell_angle_beta ... |
SuperCellAction | c97c341d-e414-42d7-91af-4d50adff9937 | mp-567505 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8Si8C8Si8C8Si8C8Si8C8Si8C8Si8C8Si8C8
_chemical_formula_sum "Si64 C64"
_cell_length_a 6.15436886
_cell_length_b 6.154365939999999
_cell_length_c 40.2512627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.999983... |
SuperCellAction | 1f94a981-87ed-45ea-9b8b-b28967d1297f | mp-755181 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7V4O5F7V4O5F7V4O5F7V4O5F7V4O5F7
_chemical_formula_sum "V24 O30 F42"
_cell_length_a 15.37723884
_cell_length_b 5.22331207
_cell_length_c 17.58057086
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60... |
SuperCellAction | d9167c45-d9e3-4b8f-865b-6915802161b0 | mp-559052 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb6Bi8O28Li2Nb6Bi8O28Li2Nb6Bi8O28
_chemical_formula_sum "Li6 Nb18 Bi24 O84"
_cell_length_a 7.6946639
_cell_length_b 23.083991700000002
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle... |
SuperCellAction | 586b4454-1401-4f2f-89f2-6e883d502980 | mp-1095574 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ce4Ga4Ag4Ce4Ga4Ag4
_chemical_formula_sum "Ce8 Ga8 Ag8"
_cell_length_a 9.365616
_cell_length_b 7.476301
_cell_length_c 7.790775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SuperCellAction | 480bf48b-7cff-4960-8558-1b320dfa9923 | mp-1228452 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18Ba3Ti3Fe3Bi2O18Ba3Ti3Fe3Bi2O18Ba3Ti3Fe3Bi2O18Ba3Ti3Fe3Bi2O18Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba18 Ti18 Fe18 Bi12 O108"
_cell_length_a 16.911498090000002
_cell_length_b 11.27433206
_cell_length_c 13.886766
_cell_angle_alph... |
SuperCellAction | 454da5a0-33e3-4cb2-887b-ff00d50b276d | mp-1203334 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural B4P4H36N12
_chemical_formula_sum "B4 P4 H36 N12"
_cell_length_a 9.675927
_cell_length_b 6.254514
_cell_length_c 9.71787723
_cell_angle_alpha 78.65079318
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural B4P4H36N12B4P4H36N12B4P4H36N12B4P4H36N12
_chemical_formula_sum "B16 P16 H144 N48"
_cell_length_a 9.675927
_cell_length_b 6.254514
_cell_length_c 38.87150892
_cell_angle_alpha 78.65079318
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | b248508a-fffe-445b-850e-86cf14fb0621 | mp-753577 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Li2Co4P4O16
_chemical_formula_sum "Li2 Co4 P4 O16"
_cell_length_a 5.48537801
_cell_length_b 7.78633755
_cell_length_c 8.53874691
_cell_angle_alpha 103.7206634
_cell_angle_beta 90.00693515
_cell_angle_gamma 89.99930069
_space_group_... | data_image0
_chemical_formula_structural Li2Co4P4O16Li2Co4P4O16Li2Co4P4O16Li2Co4P4O16Li2Co4P4O16Li2Co4P4O16Li2Co4P4O16Li2Co4P4O16
_chemical_formula_sum "Li16 Co32 P32 O128"
_cell_length_a 10.97075602
_cell_length_b 15.5726751
_cell_length_c 17.07749382
_cell_angle_alpha 103.72066... |
SuperCellAction | 8581bfeb-6d65-402c-ab55-418d14fcd544 | mp-758186 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Li12Fe4P8O32
_chemical_formula_sum "Li12 Fe4 P8 O32"
_cell_length_a 10.367151
_cell_length_b 8.217866
_cell_length_c 8.31371751
_cell_angle_alpha 74.95900952
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe4P8O32Li12Fe4P8O32Li12Fe4P8O32Li12Fe4P8O32
_chemical_formula_sum "Li48 Fe16 P32 O128"
_cell_length_a 20.734302
_cell_length_b 8.217866
_cell_length_c 16.62743502
_cell_angle_alpha 74.95900952
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 75d12784-944c-4edb-b966-2d37c4ba9f8c | mp-1196543 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ga40Mo8CGa40Mo8CGa40Mo8C
_chemical_formula_sum "Ga120 Mo24 C3"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 28.670751749999994
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402... |
SuperCellAction | b3390940-3334-4141-8105-813bae23a5cf | mp-625502 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... | data_image0
_chemical_formula_structural H4W4O14H4W4O14
_chemical_formula_sum "H8 W8 O28"
_cell_length_a 14.70641004
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.6447930499... |
SuperCellAction | 19555efc-8e99-4af9-8c05-2febbc1be8f6 | mp-780492 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... | data_image0
_chemical_formula_structural Li4VP6H8O22Li4VP6H8O22Li4VP6H8O22Li4VP6H8O22Li4VP6H8O22Li4VP6H8O22Li4VP6H8O22Li4VP6H8O22
_chemical_formula_sum "Li32 V8 P48 H64 O176"
_cell_length_a 14.003166
_cell_length_b 7.55078302
_cell_length_c 34.03023704
_cell_angle_alpha 84.745288... |
SuperCellAction | 971c8747-38b6-4176-b6d9-ecd83e44660e | mp-1204112 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12
_chemical_formula_sum "Sn12 H48 S72 N72 Cl72"
_cell_length_a 13.290174
_cell_length_b 14.72832
_cell_length_c 35.79126168
_cell_angle_alpha 57.87495... |
SuperCellAction | 2e0d8df3-6b49-4f0c-8298-b53fd9868b94 | mp-29452 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Sc8B2Cl12
_chemical_formula_sum "Sc8 B2 Cl12"
_cell_length_a 3.60292348
_cell_length_b 11.85957314
_cell_length_c 12.279586710000002
_cell_angle_alpha 89.99905886
_cell_angle_beta 90.00002933
_cell_angle_gamma 89.99999559999999
_sp... | data_image0
_chemical_formula_structural Sc8B2Cl12Sc8B2Cl12Sc8B2Cl12Sc8B2Cl12Sc8B2Cl12Sc8B2Cl12Sc8B2Cl12Sc8B2Cl12
_chemical_formula_sum "Sc64 B16 Cl96"
_cell_length_a 3.60292348
_cell_length_b 23.71914628
_cell_length_c 49.11834684000001
_cell_angle_alpha 89.99905886
_cell_angle_... |
SuperCellAction | d2a97439-c2ab-44bd-91a0-99c0b9063f47 | mp-1209131 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sn27Pd39Sn27Pd39
_chemical_formula_sum "Sn54 Pd78"
_cell_length_a 17.97082218
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt ... |
SuperCellAction | 7451d886-41a1-4986-aecf-490cb85bb13c | mp-1245513 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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 Fe16Te12N8Fe16Te12N8Fe16Te12N8Fe16Te12N8Fe16Te12N8Fe16Te12N8Fe16Te12N8Fe16Te12N8
_chemical_formula_sum "Fe128 Te96 N64"
_cell_length_a 24.716176
_cell_length_b 10.515917
_cell_length_c 18.2021
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | e52f43be-bdbc-4a06-8e7b-b3ea5efe33fe | mp-1207969 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Y2Co2C12N12O10
_chemical_formula_sum "Y2 Co2 C12 N12 O10"
_cell_length_a 7.57012786
_cell_length_b 7.57012786
_cell_length_c 12.859381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_n... | data_image0
_chemical_formula_structural Y2Co2C12N12O10Y2Co2C12N12O10Y2Co2C12N12O10Y2Co2C12N12O10Y2Co2C12N12O10Y2Co2C12N12O10Y2Co2C12N12O10Y2Co2C12N12O10
_chemical_formula_sum "Y16 Co16 C96 N96 O80"
_cell_length_a 15.14025572
_cell_length_b 7.57012786
_cell_length_c 51.437524
_cell_... |
SuperCellAction | 7bf960c0-360a-4058-ba1f-93d3fb8f1ef7 | mp-773191 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Li6Cr3Sb3O16
_chemical_formula_sum "Li6 Cr3 Sb3 O16"
_cell_length_a 6.04711615
_cell_length_b 6.04711615
_cell_length_c 10.02636895
_cell_angle_alpha 89.85000666000002
_cell_angle_beta 89.85000666000002
_cell_angle_gamma 60.31100107... | data_image0
_chemical_formula_structural Li6Cr3Sb3O16Li6Cr3Sb3O16Li6Cr3Sb3O16Li6Cr3Sb3O16Li6Cr3Sb3O16Li6Cr3Sb3O16Li6Cr3Sb3O16Li6Cr3Sb3O16
_chemical_formula_sum "Li48 Cr24 Sb24 O128"
_cell_length_a 12.0942323
_cell_length_b 12.0942323
_cell_length_c 20.0527379
_cell_angle_alpha 89... |
SuperCellAction | 5ca4560d-475a-4321-8b90-cf7bda3e81f3 | mp-776267 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16Li4Mn3Cr3W2O16Li4Mn3Cr3W2O16Li4Mn3Cr3W2O16
_chemical_formula_sum "Li16 Mn12 Cr12 W8 O64"
_cell_length_a 6.03107707
_cell_length_b 24.12430828
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.634... |
SuperCellAction | 56242706-fa5f-43df-a393-13b7b1eef042 | mp-1103066 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 Sm4Si4Pd4Sm4Si4Pd4Sm4Si4Pd4
_chemical_formula_sum "Sm12 Si12 Pd12"
_cell_length_a 12.978078
_cell_length_b 7.167704
_cell_length_c 7.673634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | 8492241d-71b5-407b-aca2-ca6b8cb90aa1 | mp-1019788 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_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 K8Al6Si6O24K8Al6Si6O24K8Al6Si6O24K8Al6Si6O24K8Al6Si6O24K8Al6Si6O24K8Al6Si6O24K8Al6Si6O24
_chemical_formula_sum "K64 Al48 Si48 O192"
_cell_length_a 37.44072
_cell_length_b 18.72036
_cell_length_c 9.36018
_cell_angle_alpha 90.0
_cell_angle_b... |
SuperCellAction | 816e40f3-0c31-4e5f-ae8d-e5f39488f11e | mp-23414 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Sc8N2Cl12
_chemical_formula_sum "Sc8 N2 Cl12"
_cell_length_a 3.49215082
_cell_length_b 11.55839449
_cell_length_c 12.06368771
_cell_angle_alpha 90.00014313999999
_cell_angle_beta 90.0000846
_cell_angle_gamma 89.99996687
_space_grou... | data_image0
_chemical_formula_structural Sc8N2Cl12Sc8N2Cl12Sc8N2Cl12Sc8N2Cl12Sc8N2Cl12Sc8N2Cl12Sc8N2Cl12Sc8N2Cl12
_chemical_formula_sum "Sc64 N16 Cl96"
_cell_length_a 13.96860328
_cell_length_b 23.11678898
_cell_length_c 12.06368771
_cell_angle_alpha 90.00014313999999
_cell_angle... |
SuperCellAction | 85926bb9-c606-4b3e-8e14-ec7de73b80f4 | mp-1221127 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Na2U8V6O40
_chemical_formula_sum "Na2 U8 V6 O40"
_cell_length_a 7.33532564
_cell_length_b 7.335325640000001
_cell_length_c 18.084419980000003
_cell_angle_alpha 78.43447669
_cell_angle_beta 78.43447669
_cell_angle_gamma 89.99990058
... | data_image0
_chemical_formula_structural Na2U8V6O40Na2U8V6O40Na2U8V6O40Na2U8V6O40Na2U8V6O40Na2U8V6O40
_chemical_formula_sum "Na12 U48 V36 O240"
_cell_length_a 22.00597692
_cell_length_b 14.670651280000001
_cell_length_c 18.084419980000003
_cell_angle_alpha 78.43447669
_cell_angle... |
SuperCellAction | 5e4b55bf-10ed-4130-a9c5-487cddfc44fa | mp-29075 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi10Cl24Ga6Bi10Cl24
_chemical_formula_sum "Ga12 Bi20 Cl48"
_cell_length_a 12.22153651
_cell_length_b 24.44307302
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.1894... |
SuperCellAction | 58ae494a-4e73-403f-bba7-6e41f4f93aaf | mp-1239191 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 Cs4Cr8S16Cs4Cr8S16Cs4Cr8S16Cs4Cr8S16Cs4Cr8S16Cs4Cr8S16
_chemical_formula_sum "Cs24 Cr48 S96"
_cell_length_a 7.189838
_cell_length_b 12.069073
_cell_length_c 39.863751
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | b1272f56-00c0-4924-82a0-7376e59b5edf | mp-769513 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Li8Ti6Mn12O36
_chemical_formula_sum "Li8 Ti6 Mn12 O36"
_cell_length_a 2.909353
_cell_length_b 9.043173
_cell_length_c 25.924114
_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 Li8Ti6Mn12O36Li8Ti6Mn12O36Li8Ti6Mn12O36Li8Ti6Mn12O36
_chemical_formula_sum "Li32 Ti24 Mn48 O144"
_cell_length_a 11.637412
_cell_length_b 9.043173
_cell_length_c 25.924114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 3da63fbb-2ff3-4153-891f-abbb6810ae08 | mp-1228744 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6V8P12O48Ba6V8P12O48Ba6V8P12O48
_chemical_formula_sum "Ba18 V24 P36 O144"
_cell_length_a 10.082441
_cell_length_b 30.152214
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | bc14c39f-49a2-4506-a0d3-fa11ee3d6a50 | mp-28092 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2B40H52O2B40H52O2B40H52O2B40H52O2B40H52O2B40H52O2B40H52O2
_chemical_formula_sum "B320 H416 O16"
_cell_length_a 53.64314252
_cell_length_b 26.82157126
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.0... |
SuperCellAction | 4c8d717d-1bae-4d08-812f-f9623f0ebda3 | mp-727103 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Ba2CuC6O16
_chemical_formula_sum "Ba2 Cu1 C6 O16"
_cell_length_a 6.775689
_cell_length_b 7.7992645000000005
_cell_length_c 9.83479338
_cell_angle_alpha 70.13118492
_cell_angle_beta 82.35314984
_cell_angle_gamma 83.34399386000001
_s... | data_image0
_chemical_formula_structural Ba2CuC6O16Ba2CuC6O16Ba2CuC6O16Ba2CuC6O16Ba2CuC6O16Ba2CuC6O16
_chemical_formula_sum "Ba12 Cu6 C36 O96"
_cell_length_a 13.551378
_cell_length_b 23.397793500000002
_cell_length_c 9.83479338
_cell_angle_alpha 70.13118492
_cell_angle_beta 8... |
SuperCellAction | d97ae8e4-0034-46c9-aaea-a1eb27406722 | mp-1245016 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... | data_image0
_chemical_formula_structural Cr24Fe8O48Cr24Fe8O48Cr24Fe8O48
_chemical_formula_sum "Cr72 Fe24 O144"
_cell_length_a 30.18135066
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma ... |
SuperCellAction | 8889245f-9fd6-4afe-8457-c0f219edd17a | mp-1104301 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... | data_image0
_chemical_formula_structural K3Pb2Cl8K3Pb2Cl8K3Pb2Cl8K3Pb2Cl8
_chemical_formula_sum "K12 Pb8 Cl32"
_cell_length_a 17.380446
_cell_length_b 8.99889746
_cell_length_c 18.03841298
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 6... |
SuperCellAction | be2a15b2-f46d-4058-8906-815fd47dca55 | mp-1199395 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Zr4O12F20
_chemical_formula_sum "Zr4 O12 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... | data_image0
_chemical_formula_structural Zr4O12F20Zr4O12F20
_chemical_formula_sum "Zr8 O24 F40"
_cell_length_a 33.94094858
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.86828765999... |
SuperCellAction | 72006b99-25be-4a86-9546-1fb673fe1773 | mp-33546 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Fe4Cu2O8
_chemical_formula_sum "Fe4 Cu2 O8"
_cell_length_a 6.05119866
_cell_length_b 6.05119736
_cell_length_c 5.97388687
_cell_angle_alpha 119.89748608
_cell_angle_beta 119.89749192
_cell_angle_gamma 90.54960672999998
_space_group... | data_image0
_chemical_formula_structural Fe4Cu2O8Fe4Cu2O8
_chemical_formula_sum "Fe8 Cu4 O16"
_cell_length_a 12.10239732
_cell_length_b 6.05119736
_cell_length_c 5.97388687
_cell_angle_alpha 119.89748608
_cell_angle_beta 119.89749192
_cell_angle_gamma 90.54960672999998
_s... |
SuperCellAction | d2bf632f-2e0e-4d99-a8fd-430c0094efa6 | mp-757949 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Li4Fe8C8O28
_chemical_formula_sum "Li4 Fe8 C8 O28"
_cell_length_a 5.989784
_cell_length_b 9.33102
_cell_length_c 10.445336550000002
_cell_angle_alpha 64.01902233999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li4Fe8C8O28Li4Fe8C8O28Li4Fe8C8O28Li4Fe8C8O28
_chemical_formula_sum "Li16 Fe32 C32 O112"
_cell_length_a 11.979568
_cell_length_b 18.66204
_cell_length_c 10.445336550000002
_cell_angle_alpha 64.01902233999999
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 1f198cb4-9290-4efb-84f9-8f6dd1acd54f | mp-2231666 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... | data_image0
_chemical_formula_structural MgTiMnV4O12MgTiMnV4O12MgTiMnV4O12MgTiMnV4O12MgTiMnV4O12MgTiMnV4O12
_chemical_formula_sum "Mg6 Ti6 Mn6 V24 O72"
_cell_length_a 14.40753018
_cell_length_b 21.611036490000004
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle... |
SuperCellAction | 4ab76863-ce2d-4611-b211-4e22a485ee91 | mp-756079 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Li4Mn2F12
_chemical_formula_sum "Li4 Mn2 F12"
_cell_length_a 5.04291432
_cell_length_b 5.04291432
_cell_length_c 9.003661
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000417
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Li4Mn2F12Li4Mn2F12Li4Mn2F12Li4Mn2F12Li4Mn2F12Li4Mn2F12
_chemical_formula_sum "Li24 Mn12 F72"
_cell_length_a 10.08582864
_cell_length_b 15.12874296
_cell_length_c 9.003661
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | e78ad7fd-19be-4496-82ee-9943079a05dd | mp-1208402 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural U2Pb2I12
_chemical_formula_sum "U2 Pb2 I12"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888295969... | data_image0
_chemical_formula_structural U2Pb2I12U2Pb2I12U2Pb2I12U2Pb2I12
_chemical_formula_sum "U8 Pb8 I48"
_cell_length_a 7.62870236
_cell_length_b 15.293948980000001
_cell_length_c 28.29549916
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_ang... |
SuperCellAction | 115b9cd5-1fc0-4f9b-b584-f52c6d0ebc14 | mp-13211 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14Ag4Te4O14
_chemical_formula_sum "Ag8 Te8 O28"
_cell_length_a 14.65192548
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.5361083200... |
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