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 | d831788f-9cb6-4b8f-a5e5-e43f8bc95f51 | mp-768410 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Li6Mn2B8O18
_chemical_formula_sum "Li6 Mn2 B8 O18"
_cell_length_a 8.745581
_cell_length_b 5.817883
_cell_length_c 6.697982640000001
_cell_angle_alpha 77.50653433
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li6Mn2B8O18Li6Mn2B8O18Li6Mn2B8O18
_chemical_formula_sum "Li18 Mn6 B24 O54"
_cell_length_a 8.745581
_cell_length_b 17.453649
_cell_length_c 6.697982640000001
_cell_angle_alpha 77.50653433
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | 4c8ecd18-dcff-47a4-ad24-26ae135fb797 | mp-861170 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.16601
_cell_length_b 5.59102518
_cell_length_c 15.065638179999999
_cell_angle_alpha 84.34933135000001
_cell_angle_beta 89.81013104
_cell_angle_gamma 89.91484064
_spac... | data_image0
_chemical_formula_structural Ti5Fe11O24Ti5Fe11O24Ti5Fe11O24Ti5Fe11O24
_chemical_formula_sum "Ti20 Fe44 O96"
_cell_length_a 5.16601
_cell_length_b 22.36410072
_cell_length_c 15.065638179999999
_cell_angle_alpha 84.34933135000001
_cell_angle_beta 89.81013104
_cell_a... |
SuperCellAction | c08982ed-591c-4141-8578-cfdcd4be419b | mp-1359845 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2Cu4P8O28Ca2Cu4P8O28Ca2Cu4P8O28Ca2Cu4P8O28
_chemical_formula_sum "Ca8 Cu16 P32 O112"
_cell_length_a 10.837742
_cell_length_b 7.99159957
_cell_length_c 25.75360494
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle... |
SuperCellAction | af7620db-97d5-4aa6-9e6b-03925f4c9b9c | mp-1173784 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Na9Mg9AlSi10O35
_chemical_formula_sum "Na9 Mg9 Al1 Si10 O35"
_cell_length_a 25.12591308
_cell_length_b 8.70348242
_cell_length_c 6.49278501
_cell_angle_alpha 90.00000080000001
_cell_angle_beta 90.00306439
_cell_angle_gamma 30.004440... | data_image0
_chemical_formula_structural Na9Mg9AlSi10O35Na9Mg9AlSi10O35Na9Mg9AlSi10O35Na9Mg9AlSi10O35
_chemical_formula_sum "Na36 Mg36 Al4 Si40 O140"
_cell_length_a 100.50365232
_cell_length_b 8.70348242
_cell_length_c 6.49278501
_cell_angle_alpha 90.00000080000001
_cell_angle_be... |
SuperCellAction | 3bb71481-6fb6-4c2d-a21b-dfc4fc649d06 | mp-1097054 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural K4Ce8Fe4O24
_chemical_formula_sum "K4 Ce8 Fe4 O24"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_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 K4Ce8Fe4O24K4Ce8Fe4O24K4Ce8Fe4O24K4Ce8Fe4O24K4Ce8Fe4O24K4Ce8Fe4O24K4Ce8Fe4O24K4Ce8Fe4O24
_chemical_formula_sum "K32 Ce64 Fe32 O192"
_cell_length_a 23.976168
_cell_length_b 16.891778
_cell_length_c 11.558087
_cell_angle_alpha 90.0
_cell_ang... |
SuperCellAction | e5c7e4f8-f11b-4a3d-a421-b6b5c007b685 | mp-1227649 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Ca4Se8O22
_chemical_formula_sum "Ca4 Se8 O22"
_cell_length_a 8.33764981
_cell_length_b 8.33764981
_cell_length_c 12.175655180000001
_cell_angle_alpha 65.11946191
_cell_angle_beta 65.11946191
_cell_angle_gamma 50.96985560000001
_spa... | data_image0
_chemical_formula_structural Ca4Se8O22Ca4Se8O22
_chemical_formula_sum "Ca8 Se16 O44"
_cell_length_a 8.33764981
_cell_length_b 16.67529962
_cell_length_c 12.175655180000001
_cell_angle_alpha 65.11946191
_cell_angle_beta 65.11946191
_cell_angle_gamma 50.969855600... |
SuperCellAction | fb643988-fdba-49fe-bafa-fd31d01ee94c | mp-767412 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... | data_image0
_chemical_formula_structural Li3Co4S8Li3Co4S8Li3Co4S8Li3Co4S8Li3Co4S8Li3Co4S8Li3Co4S8Li3Co4S8
_chemical_formula_sum "Li24 Co32 S64"
_cell_length_a 29.49929116
_cell_length_b 14.74964558
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta ... |
SuperCellAction | e80683be-2166-4877-9aaf-3d6000af5c7d | mp-1193190 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18K4Cr6O18K4Cr6O18K4Cr6O18
_chemical_formula_sum "K16 Cr24 O72"
_cell_length_a 24.013804
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | fd2282bf-1d96-4445-8ce4-d394e7f58a75 | mp-1246736 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Mn6V2N6
_chemical_formula_sum "Mn6 V2 N6"
_cell_length_a 6.87298802
_cell_length_b 6.82548822
_cell_length_c 3.902309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.80338612999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mn6V2N6Mn6V2N6Mn6V2N6Mn6V2N6Mn6V2N6Mn6V2N6Mn6V2N6Mn6V2N6
_chemical_formula_sum "Mn48 V16 N48"
_cell_length_a 6.87298802
_cell_length_b 13.65097644
_cell_length_c 15.609236
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 952a8f5b-e282-4a99-a853-2b272de28748 | mp-1246871 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Dy2Mg2Mn2S8
_chemical_formula_sum "Dy2 Mg2 Mn2 S8"
_cell_length_a 7.74106626
_cell_length_b 7.55652854
_cell_length_c 7.55628571
_cell_angle_alpha 60.18353225
_cell_angle_beta 59.17145785
_cell_angle_gamma 59.20400401999999
_space_... | data_image0
_chemical_formula_structural Dy2Mg2Mn2S8Dy2Mg2Mn2S8Dy2Mg2Mn2S8
_chemical_formula_sum "Dy6 Mg6 Mn6 S24"
_cell_length_a 23.22319878
_cell_length_b 7.55652854
_cell_length_c 7.55628571
_cell_angle_alpha 60.18353225
_cell_angle_beta 59.17145785
_cell_angle_gamma 59... |
SuperCellAction | 3cea89a9-4959-4b7b-b480-20104057e27b | mp-1213897 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Ca4W4O8
_chemical_formula_sum "Ca4 W4 O8"
_cell_length_a 7.39204584
_cell_length_b 7.39204584
_cell_length_c 7.39204584
_cell_angle_alpha 129.86715672
_cell_angle_beta 129.86715672
_cell_angle_gamma 73.61922588
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca4W4O8Ca4W4O8Ca4W4O8
_chemical_formula_sum "Ca12 W12 O24"
_cell_length_a 7.39204584
_cell_length_b 7.39204584
_cell_length_c 22.17613752
_cell_angle_alpha 129.86715672
_cell_angle_beta 129.86715672
_cell_angle_gamma 73.61922588
_s... |
SuperCellAction | 6a3502bc-2d3f-4563-bfa8-fa080b4db067 | mp-1208000 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Tm2CuGe4O12
_chemical_formula_sum "Tm2 Cu1 Ge4 O12"
_cell_length_a 4.983862
_cell_length_b 7.19407863
_cell_length_c 7.9632799
_cell_angle_alpha 113.99763921
_cell_angle_beta 87.05121009
_cell_angle_gamma 102.37933051
_space_group_... | data_image0
_chemical_formula_structural Tm2CuGe4O12Tm2CuGe4O12Tm2CuGe4O12Tm2CuGe4O12Tm2CuGe4O12Tm2CuGe4O12
_chemical_formula_sum "Tm12 Cu6 Ge24 O72"
_cell_length_a 4.983862
_cell_length_b 14.38815726
_cell_length_c 23.889839699999996
_cell_angle_alpha 113.99763921
_cell_angle_be... |
SuperCellAction | f215c9d2-45b2-47b4-a0ea-bb4ea69e246f | mp-651997 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Fe12Ge8O32
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe12Ge8O32Fe12Ge8O32Fe12Ge8O32
_chemical_formula_sum "Fe36 Ge24 O96"
_cell_length_a 25.414766999999998
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 620b1301-780e-4382-92b4-7dec12b06713 | mp-861612 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16Cr2Fe2P4O16Cr2Fe2P4O16
_chemical_formula_sum "Cr6 Fe6 P12 O48"
_cell_length_a 5.848363
_cell_length_b 14.511935999999999
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | b230c0db-4dc9-47ce-8ae4-d2c9ea7121c9 | mp-771136 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... | data_image0
_chemical_formula_structural Ho4Se6O24Ho4Se6O24Ho4Se6O24Ho4Se6O24
_chemical_formula_sum "Ho16 Se24 O96"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 39.33245324
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamm... |
SuperCellAction | b19a0b79-49b3-49b3-8b5c-a384a29f498a | mp-1650920 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural SrLa4Cr5O15
_chemical_formula_sum "Sr1 La4 Cr5 O15"
_cell_length_a 5.55545134
_cell_length_b 6.786953540000001
_cell_length_c 8.73338731
_cell_angle_alpha 104.83756037999999
_cell_angle_beta 108.43716370999998
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural SrLa4Cr5O15SrLa4Cr5O15SrLa4Cr5O15SrLa4Cr5O15SrLa4Cr5O15SrLa4Cr5O15SrLa4Cr5O15SrLa4Cr5O15
_chemical_formula_sum "Sr8 La32 Cr40 O120"
_cell_length_a 5.55545134
_cell_length_b 27.147814160000003
_cell_length_c 17.46677462
_cell_angle_alpha 10... |
SuperCellAction | cfeb6f43-3504-4fcc-ace3-5186229fe01b | mp-754097 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... | data_image0
_chemical_formula_structural Li8Fe4B4O16Li8Fe4B4O16Li8Fe4B4O16
_chemical_formula_sum "Li24 Fe12 B12 O48"
_cell_length_a 5.03732664
_cell_length_b 30.21897282
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma... |
SuperCellAction | 7bf62009-ed85-44ed-8288-fbb2adee6afe | mp-760314 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6O5F19V6O5F19V6O5F19
_chemical_formula_sum "V18 O15 F57"
_cell_length_a 16.071735
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.052139029... |
SuperCellAction | 3471f9fe-00b7-4f2f-aa97-07ed50392040 | mp-569364 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Be44Re2
_chemical_formula_sum "Be44 Re2"
_cell_length_a 8.13274172
_cell_length_b 8.13274113
_cell_length_c 8.132742219999999
_cell_angle_alpha 60.00074062000001
_cell_angle_beta 60.00073954
_cell_angle_gamma 60.000751649999984
_sp... | data_image0
_chemical_formula_structural Be44Re2Be44Re2Be44Re2Be44Re2Be44Re2Be44Re2
_chemical_formula_sum "Be264 Re12"
_cell_length_a 24.398225160000003
_cell_length_b 16.26548226
_cell_length_c 8.132742219999999
_cell_angle_alpha 60.00074062000001
_cell_angle_beta 60.0007395... |
SuperCellAction | 7f076229-a755-4793-aa40-7739e0d40909 | mp-1045008 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 Ba2AlW3O7Ba2AlW3O7Ba2AlW3O7
_chemical_formula_sum "Ba6 Al3 W9 O21"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 40.694022000000004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | 4f74d905-d1e4-47ed-b9b1-4424c5a87246 | mp-1239200 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 Na8Cr16S32Na8Cr16S32Na8Cr16S32Na8Cr16S32Na8Cr16S32Na8Cr16S32Na8Cr16S32Na8Cr16S32
_chemical_formula_sum "Na64 Cr128 S256"
_cell_length_a 23.177964
_cell_length_b 7.263585
_cell_length_c 48.228796
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 4b295d11-bb4a-4925-9a6a-1a2a1bd891dc | mp-1209619 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF6Rb3BiF6
_chemical_formula_sum "Rb6 Bi2 F12"
_cell_length_a 18.25605426
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_spa... |
SuperCellAction | c33defde-e883-48f2-9452-037ce79c285d | mp-1643264 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Li8Co10Sn2O24
_chemical_formula_sum "Li8 Co10 Sn2 O24"
_cell_length_a 5.07252516
_cell_length_b 5.03807126
_cell_length_c 19.82383601
_cell_angle_alpha 91.98006383
_cell_angle_beta 85.19405963000001
_cell_angle_gamma 120.10979549999... | data_image0
_chemical_formula_structural Li8Co10Sn2O24Li8Co10Sn2O24Li8Co10Sn2O24Li8Co10Sn2O24Li8Co10Sn2O24Li8Co10Sn2O24Li8Co10Sn2O24Li8Co10Sn2O24
_chemical_formula_sum "Li64 Co80 Sn16 O192"
_cell_length_a 10.14505032
_cell_length_b 10.07614252
_cell_length_c 39.64767202
_cell_angle_... |
SuperCellAction | badb4ddb-437f-49e8-9480-f79a0fc9b336 | mp-3824 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta9Ni2S6Ta9Ni2S6Ta9Ni2S6Ta9Ni2S6Ta9Ni2S6Ta9Ni2S6
_chemical_formula_sum "Ta54 Ni12 S36"
_cell_length_a 20.2996168
_cell_length_b 10.1498084
_cell_length_c 10.15894875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119... |
SuperCellAction | 1b4dc7b4-0043-4fc0-ab30-41640d8dc345 | mp-1305999 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8
_chemical_formula_sum "Li9 Ti3 Ni12 O24"
_cell_length_a 5.89780767
_cell_length_b 17.710795590000004
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle... |
SuperCellAction | 19627b3f-1055-449b-8d4d-22d43b1cb611 | mp-673347 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4H4O12Nb4H4O12Nb4H4O12Nb4H4O12
_chemical_formula_sum "Nb16 H16 O48"
_cell_length_a 13.490164
_cell_length_b 13.55745468
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8... |
SuperCellAction | 651d149f-2d35-4b3e-b841-e76439465415 | mp-1246950 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnC8N6MnC8N6MnC8N6MnC8N6MnC8N6MnC8N6MnC8N6MnC8N6
_chemical_formula_sum "Mn8 C64 N48"
_cell_length_a 22.7672916
_cell_length_b 7.22975951
_cell_length_c 14.459518300000001
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235... |
SuperCellAction | 3d48598b-29aa-4edb-a215-c3659a110413 | mp-2223637 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... | data_image0
_chemical_formula_structural MgFeCo2O6MgFeCo2O6MgFeCo2O6MgFeCo2O6MgFeCo2O6MgFeCo2O6MgFeCo2O6MgFeCo2O6
_chemical_formula_sum "Mg8 Fe8 Co16 O48"
_cell_length_a 26.93597796
_cell_length_b 6.21593786
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta ... |
SuperCellAction | af81e996-8b28-4ff5-9434-4f311c59f32a | mp-27442 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Rb4Cr4I12
_chemical_formula_sum "Rb4 Cr4 I12"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_space_grou... | data_image0
_chemical_formula_structural Rb4Cr4I12Rb4Cr4I12Rb4Cr4I12Rb4Cr4I12
_chemical_formula_sum "Rb16 Cr16 I48"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 57.68366568
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 6... |
SuperCellAction | 69d8765a-b19c-44b9-aaa7-ed6f951a66f1 | mp-1202130 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural K4U4Se8O32
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K4U4Se8O32K4U4Se8O32K4U4Se8O32
_chemical_formula_sum "K12 U12 Se24 O96"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 38.56876895999999
_cell_angle_alpha 49.27693035
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | 5ee7e72a-a86f-451a-8edd-e8861fd45858 | mp-1200198 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Cd8Cu8P8S4O68
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_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 Cd8Cu8P8S4O68Cd8Cu8P8S4O68Cd8Cu8P8S4O68
_chemical_formula_sum "Cd24 Cu24 P24 S12 O204"
_cell_length_a 10.571198
_cell_length_b 62.818236
_cell_length_c 6.042704
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | e0e8f0aa-e202-4b5d-9068-dd69aab322c0 | mp-1101922 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Eu4Fe8Eu4Fe8Eu4Fe8Eu4Fe8Eu4Fe8Eu4Fe8Eu4Fe8Eu4Fe8
_chemical_formula_sum "Eu32 Fe64"
_cell_length_a 5.501304
_cell_length_b 22.00521592
_cell_length_c 17.072532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000000... |
SuperCellAction | a1a8ebee-98b8-4fd5-898f-4992a9f70def | mp-1232290 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Cu3SbF12
_chemical_formula_sum "Cu3 Sb1 F12"
_cell_length_a 6.70660229
_cell_length_b 6.70660189
_cell_length_c 6.70660296
_cell_angle_alpha 109.47121481
_cell_angle_beta 109.4712136
_cell_angle_gamma 109.47122883
_space_group_name... | data_image0
_chemical_formula_structural Cu3SbF12Cu3SbF12Cu3SbF12Cu3SbF12Cu3SbF12Cu3SbF12Cu3SbF12Cu3SbF12
_chemical_formula_sum "Cu24 Sb8 F96"
_cell_length_a 6.70660229
_cell_length_b 26.82640756
_cell_length_c 13.41320592
_cell_angle_alpha 109.47121481
_cell_angle_beta 109.4... |
SuperCellAction | 600f7479-baca-4234-8ef0-333fa7438ec0 | mp-753615 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4
_chemical_formula_sum "Li24 Mn24 O32 F32"
_cell_length_a 11.6075849
_cell_length_b 24.17883576
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_a... |
SuperCellAction | 18d4a78a-5210-4b7f-825a-f5dc7c69d902 | mp-1275970 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural BaLaMn2O6
_chemical_formula_sum "Ba1 La1 Mn2 O6"
_cell_length_a 5.67028296
_cell_length_b 5.567038570000001
_cell_length_c 5.56019767
_cell_angle_alpha 118.69775107999999
_cell_angle_beta 120.57657265
_cell_angle_gamma 59.30470872
... | data_image0
_chemical_formula_structural BaLaMn2O6BaLaMn2O6BaLaMn2O6BaLaMn2O6BaLaMn2O6BaLaMn2O6BaLaMn2O6BaLaMn2O6
_chemical_formula_sum "Ba8 La8 Mn16 O48"
_cell_length_a 22.68113184
_cell_length_b 5.567038570000001
_cell_length_c 11.12039534
_cell_angle_alpha 118.69775107999999
_... |
SuperCellAction | 63c483a5-6bfc-4a4c-9dbf-fe41683dc9e8 | mp-1102140 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 Nd4Si4Ir4Nd4Si4Ir4Nd4Si4Ir4Nd4Si4Ir4
_chemical_formula_sum "Nd16 Si16 Ir16"
_cell_length_a 6.33666694
_cell_length_b 25.34666776
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 7e1832a0-f29e-460c-93f0-d0d911d2013a | mp-17426 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Er8W4O24
_chemical_formula_sum "Er8 W4 O24"
_cell_length_a 5.16899321
_cell_length_b 8.98292463
_cell_length_c 9.80930968
_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 Er8W4O24Er8W4O24Er8W4O24Er8W4O24Er8W4O24Er8W4O24Er8W4O24Er8W4O24
_chemical_formula_sum "Er64 W32 O192"
_cell_length_a 20.67597284
_cell_length_b 17.96584926
_cell_length_c 9.80930968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 2c4a9f5b-9ec4-4899-a24a-35ff2d6a8d12 | mp-557730 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... | data_image0
_chemical_formula_structural Dy2P6O18Dy2P6O18Dy2P6O18Dy2P6O18Dy2P6O18Dy2P6O18Dy2P6O18Dy2P6O18
_chemical_formula_sum "Dy16 P48 O144"
_cell_length_a 31.40348188
_cell_length_b 15.70174094
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta ... |
SuperCellAction | dcc769d5-e71a-4100-90ab-569c0d7b8365 | mp-1400415 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Ba2Ti3O8
_chemical_formula_sum "Ba2 Ti3 O8"
_cell_length_a 3.948523
_cell_length_b 3.948523
_cell_length_c 11.944754
_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 Ba2Ti3O8Ba2Ti3O8Ba2Ti3O8Ba2Ti3O8
_chemical_formula_sum "Ba8 Ti12 O32"
_cell_length_a 3.948523
_cell_length_b 15.794092
_cell_length_c 11.944754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 032f2d93-b1aa-434c-9e36-40f454dd9c93 | mp-1196630 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe4 Cu32 Sb12 S52 N24"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 24.92922494
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_c... |
SuperCellAction | 398b45bd-258d-46d2-936c-95f6e3c6df16 | mp-541221 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H12N12O30Ba6H12N12O30Ba6H12N12O30Ba6H12N12O30Ba6H12N12O30Ba6H12N12O30
_chemical_formula_sum "Ba36 H72 N72 O180"
_cell_length_a 21.527127
_cell_length_b 14.351417999999999
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 259e4d11-7536-49b5-b416-f99a35c7f06d | mp-1103318 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural MoW11
_chemical_formula_sum "Mo1 W11"
_cell_length_a 2.596238
_cell_length_b 5.319293
_cell_length_c 18.356209
_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_n... | data_image0
_chemical_formula_structural MoW11MoW11MoW11
_chemical_formula_sum "Mo3 W33"
_cell_length_a 7.788714000000001
_cell_length_b 5.319293
_cell_length_c 18.356209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SuperCellAction | 0a753e42-0ed9-433b-b899-0f5202b4a7db | mp-770938 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Li6V2P2C2O14
_chemical_formula_sum "Li6 V2 P2 C2 O14"
_cell_length_a 5.20433187
_cell_length_b 6.702942999999999
_cell_length_c 8.34931113
_cell_angle_alpha 90.00264614
_cell_angle_beta 87.60110657000001
_cell_angle_gamma 89.9981124... | data_image0
_chemical_formula_structural Li6V2P2C2O14Li6V2P2C2O14Li6V2P2C2O14Li6V2P2C2O14Li6V2P2C2O14Li6V2P2C2O14
_chemical_formula_sum "Li36 V12 P12 C12 O84"
_cell_length_a 10.40866374
_cell_length_b 6.702942999999999
_cell_length_c 25.047933390000004
_cell_angle_alpha 90.002646... |
SuperCellAction | 428bd106-3ec3-414c-a5f5-5decea428cd1 | mp-1043245 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Co2Ge4O12
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_spa... | data_image0
_chemical_formula_structural Co2Ge4O12Co2Ge4O12Co2Ge4O12Co2Ge4O12
_chemical_formula_sum "Co8 Ge16 O48"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 22.211458360000005
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_ang... |
SuperCellAction | 9a621b22-72bc-4130-a525-22522e154c2e | mp-705680 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural La4Mo4O18La4Mo4O18La4Mo4O18La4Mo4O18
_chemical_formula_sum "La16 Mo16 O72"
_cell_length_a 7.270955
_cell_length_b 29.158516560000002
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle... |
SuperCellAction | 4efdaeb4-8bb1-425a-a55d-51dda96b63e9 | mp-1233377 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Gd6MgIn2O12
_chemical_formula_sum "Gd6 Mg1 In2 O12"
_cell_length_a 6.99250114
_cell_length_b 6.959334629999999
_cell_length_c 6.83801893
_cell_angle_alpha 94.14595942
_cell_angle_beta 91.72693156000001
_cell_angle_gamma 91.75106101
... | data_image0
_chemical_formula_structural Gd6MgIn2O12Gd6MgIn2O12Gd6MgIn2O12Gd6MgIn2O12Gd6MgIn2O12Gd6MgIn2O12Gd6MgIn2O12Gd6MgIn2O12
_chemical_formula_sum "Gd48 Mg8 In16 O96"
_cell_length_a 13.98500228
_cell_length_b 13.918669259999998
_cell_length_c 13.67603786
_cell_angle_alpha 94... |
SuperCellAction | da81c12d-f68a-44ee-973e-31f1b266fb28 | mp-1221029 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural NaPr9Ge6O26
_chemical_formula_sum "Na1 Pr9 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural NaPr9Ge6O26NaPr9Ge6O26NaPr9Ge6O26NaPr9Ge6O26
_chemical_formula_sum "Na4 Pr36 Ge24 O104"
_cell_length_a 9.90787573
_cell_length_b 19.81575146
_cell_length_c 14.493414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119... |
SuperCellAction | eb8241d7-4e4d-49ee-97d4-73de9bf3da20 | mp-1220828 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O48F8Nb16Pb12O48F8Nb16Pb12O48F8
_chemical_formula_sum "Nb48 Pb36 O144 F24"
_cell_length_a 12.91869857
_cell_length_b 38.756095710000004
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | b44dfc1a-261d-455f-b530-f54613c97e52 | mp-988945 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Al8As8
_chemical_formula_sum "Al8 As8"
_cell_length_a 7.02253
_cell_length_b 7.02253
_cell_length_c 7.02253
_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_numb... | data_image0
_chemical_formula_structural Al8As8Al8As8Al8As8Al8As8
_chemical_formula_sum "Al32 As32"
_cell_length_a 7.02253
_cell_length_b 7.02253
_cell_length_c 28.09012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | fef9fbb7-0420-4e86-939c-ff510b1b4718 | mp-559820 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural La4S4Cl4O16
_chemical_formula_sum "La4 S4 Cl4 O16"
_cell_length_a 8.227041
_cell_length_b 6.824929
_cell_length_c 8.73515244
_cell_angle_alpha 66.15988172
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural La4S4Cl4O16La4S4Cl4O16La4S4Cl4O16La4S4Cl4O16
_chemical_formula_sum "La16 S16 Cl16 O64"
_cell_length_a 8.227041
_cell_length_b 13.649858
_cell_length_c 17.47030488
_cell_angle_alpha 66.15988172
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | d266ae2a-328a-4bb0-9d33-968e9714aef6 | mp-1235973 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12LiY4Ag4O12LiY4Ag4O12LiY4Ag4O12
_chemical_formula_sum "Li4 Y16 Ag16 O48"
_cell_length_a 6.17700983
_cell_length_b 14.418229260000002
_cell_length_c 13.929724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72... |
SuperCellAction | f757a9c5-a538-4c46-8c03-bb1eb3ffc41d | mp-1211929 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_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 K8Te4Mo8P8O56K8Te4Mo8P8O56K8Te4Mo8P8O56K8Te4Mo8P8O56K8Te4Mo8P8O56K8Te4Mo8P8O56
_chemical_formula_sum "K48 Te24 Mo48 P48 O336"
_cell_length_a 8.63677716
_cell_length_b 33.276559830000004
_cell_length_c 25.10506784
_cell_angle_alpha 90.0
_ce... |
SuperCellAction | 25168a03-b501-4047-bbf4-a316c587ae96 | mp-775903 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P8O28Li8Mn4P8O28
_chemical_formula_sum "Li16 Mn8 P16 O56"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 20.43887094
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.00... |
SuperCellAction | 95fe6a1a-7acd-4d4e-88d4-6783423ef863 | mp-1175049 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 2.961141
_cell_length_b 5.07618941
_cell_length_c 14.380623660000001
_cell_angle_alpha 88.2354465
_cell_angle_beta 86.62971702
_cell_angle_gamma 88.55672708999998
... | data_image0
_chemical_formula_structural Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12
_chemical_formula_sum "Li42 Mn12 Co18 O72"
_cell_length_a 5.922282
_cell_length_b 15.228568229999997
_cell_length_c 14.380623660000001
_cell_angle_alpha 88.2354465
_c... |
SuperCellAction | c223411a-3e3f-476b-bcf9-4010cb405964 | mp-1181826 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural CoCuP2O7
_chemical_formula_sum "Co1 Cu1 P2 O7"
_cell_length_a 4.59307298
_cell_length_b 5.36394199
_cell_length_c 5.39286453
_cell_angle_alpha 101.43439814
_cell_angle_beta 100.93720399
_cell_angle_gamma 100.89037008000001
_space_g... | data_image0
_chemical_formula_structural CoCuP2O7CoCuP2O7CoCuP2O7CoCuP2O7CoCuP2O7CoCuP2O7
_chemical_formula_sum "Co6 Cu6 P12 O42"
_cell_length_a 9.18614596
_cell_length_b 16.09182597
_cell_length_c 5.39286453
_cell_angle_alpha 101.43439814
_cell_angle_beta 100.93720399
_cell_... |
SuperCellAction | e7e7595d-5fd1-4a2c-b47c-87b4426c410e | mp-680301 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32K24As8O32K24As8O32
_chemical_formula_sum "K72 As24 O96"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 50.67184806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space... |
SuperCellAction | d1de7939-0440-4b54-a4e8-05e3ef99cfbc | mp-1250606 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma 100... | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca8 Al4 H40 Cl4 O32"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 17.71620576
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_an... |
SuperCellAction | 409570c0-3187-49f9-a46b-d435cc91d952 | mp-2220594 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural MgTl4V4Te4O20
_chemical_formula_sum "Mg1 Tl4 V4 Te4 O20"
_cell_length_a 7.06985946
_cell_length_b 8.249802490000002
_cell_length_c 9.27915161
_cell_angle_alpha 86.50146034
_cell_angle_beta 91.60447252999998
_cell_angle_gamma 89.8648... | data_image0
_chemical_formula_structural MgTl4V4Te4O20MgTl4V4Te4O20MgTl4V4Te4O20MgTl4V4Te4O20MgTl4V4Te4O20MgTl4V4Te4O20MgTl4V4Te4O20MgTl4V4Te4O20
_chemical_formula_sum "Mg8 Tl32 V32 Te32 O160"
_cell_length_a 14.13971892
_cell_length_b 16.499604980000004
_cell_length_c 18.55830322
_c... |
SuperCellAction | ae4044f2-62fa-4074-a971-d1600a3f0c6c | mp-1197601 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Rb4MgFe8H6Se16O50
_chemical_formula_sum "Rb4 Mg1 Fe8 H6 Se16 O50"
_cell_length_a 7.852262
_cell_length_b 10.51530752
_cell_length_c 16.13059088
_cell_angle_alpha 77.45945308
_cell_angle_beta 88.6467985
_cell_angle_gamma 86.212906200... | data_image0
_chemical_formula_structural Rb4MgFe8H6Se16O50Rb4MgFe8H6Se16O50Rb4MgFe8H6Se16O50Rb4MgFe8H6Se16O50
_chemical_formula_sum "Rb16 Mg4 Fe32 H24 Se64 O200"
_cell_length_a 31.409048
_cell_length_b 10.51530752
_cell_length_c 16.13059088
_cell_angle_alpha 77.45945308
_cell_ang... |
SuperCellAction | f4989158-443f-43b8-ae3a-75a396fd3a74 | mp-561165 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural V6Bi12O30
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V6Bi12O30V6Bi12O30V6Bi12O30V6Bi12O30V6Bi12O30V6Bi12O30
_chemical_formula_sum "V36 Bi72 O180"
_cell_length_a 11.26970933
_cell_length_b 22.53941866
_cell_length_c 16.409865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 73974e75-e298-4e94-b381-0ade72963e9c | mp-1203661 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural K5Rb10Cr5F30
_chemical_formula_sum "K5 Rb10 Cr5 F30"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.35469727
_sp... | data_image0
_chemical_formula_structural K5Rb10Cr5F30K5Rb10Cr5F30K5Rb10Cr5F30K5Rb10Cr5F30K5Rb10Cr5F30K5Rb10Cr5F30
_chemical_formula_sum "K30 Rb60 Cr30 F180"
_cell_length_a 8.85048792
_cell_length_b 21.22421536
_cell_length_c 31.83632304
_cell_angle_alpha 79.98600918999999
_cell_a... |
SuperCellAction | e4d5661b-997a-4d85-95c5-866803db5608 | mp-1095470 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Eu4Zn2Ge6
_chemical_formula_sum "Eu4 Zn2 Ge6"
_cell_length_a 4.24159271
_cell_length_b 4.24159271
_cell_length_c 17.86911257
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99697262000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Eu4Zn2Ge6Eu4Zn2Ge6Eu4Zn2Ge6Eu4Zn2Ge6Eu4Zn2Ge6Eu4Zn2Ge6
_chemical_formula_sum "Eu24 Zn12 Ge36"
_cell_length_a 4.24159271
_cell_length_b 12.72477813
_cell_length_c 35.73822514
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 01f55035-83a1-4645-ae27-e9ceae2efe45 | mp-1569720 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si4Ni2O12Li4Si4Ni2O12
_chemical_formula_sum "Li8 Si8 Ni4 O24"
_cell_length_a 5.12306407
_cell_length_b 20.86088696
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma ... |
SuperCellAction | 7e1c717a-ca5c-47ad-944b-7bd10d13d547 | mp-1227442 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural Be2BH3O5Be2BH3O5Be2BH3O5Be2BH3O5
_chemical_formula_sum "Be8 B4 H12 O20"
_cell_length_a 4.41713532
_cell_length_b 8.87148334
_cell_length_c 10.55111292
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.... |
SuperCellAction | 42481f31-55d8-4c85-96d4-b2307a6ddd21 | mp-1044415 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Mg4Ni4Bi4O20
_chemical_formula_sum "Mg4 Ni4 Bi4 O20"
_cell_length_a 10.461882
_cell_length_b 5.361598
_cell_length_c 8.30520732
_cell_angle_alpha 70.34453873
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Ni4Bi4O20Mg4Ni4Bi4O20Mg4Ni4Bi4O20
_chemical_formula_sum "Mg12 Ni12 Bi12 O60"
_cell_length_a 31.385645999999998
_cell_length_b 5.361598
_cell_length_c 8.30520732
_cell_angle_alpha 70.34453873
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 8c297703-30c3-4de9-a9ed-1a6ef83b2d0b | mp-779083 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... | data_image0
_chemical_formula_structural Li2V3SnO8Li2V3SnO8Li2V3SnO8Li2V3SnO8Li2V3SnO8Li2V3SnO8Li2V3SnO8Li2V3SnO8
_chemical_formula_sum "Li16 V24 Sn8 O64"
_cell_length_a 12.09463222
_cell_length_b 12.09463222
_cell_length_c 12.09463272
_cell_angle_alpha 59.96608286
_cell_angle_be... |
SuperCellAction | 8ca56e46-26ad-4fb5-ba89-7b2b5f6f7f6f | mp-600078 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O36Si18O36Si18O36Si18O36
_chemical_formula_sum "Si72 O144"
_cell_length_a 43.55645
_cell_length_b 21.778225
_cell_length_c 43.55645
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.09... |
SuperCellAction | a237eadc-2318-4816-99ba-34ff730868e6 | mp-1225820 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Er3Ga8Ni3
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_grou... | data_image0
_chemical_formula_structural Er3Ga8Ni3Er3Ga8Ni3Er3Ga8Ni3Er3Ga8Ni3Er3Ga8Ni3Er3Ga8Ni3
_chemical_formula_sum "Er18 Ga48 Ni18"
_cell_length_a 23.89521024
_cell_length_b 15.93014016
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683747999... |
SuperCellAction | cfc8732f-3eeb-42ed-9817-2396a6003689 | mp-1215852 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural YbEuSi4Au4
_chemical_formula_sum "Yb1 Eu1 Si4 Au4"
_cell_length_a 4.31256801
_cell_length_b 4.31256801
_cell_length_c 10.02948755
_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 YbEuSi4Au4YbEuSi4Au4YbEuSi4Au4YbEuSi4Au4YbEuSi4Au4YbEuSi4Au4YbEuSi4Au4YbEuSi4Au4
_chemical_formula_sum "Yb8 Eu8 Si32 Au32"
_cell_length_a 8.62513602
_cell_length_b 4.31256801
_cell_length_c 40.1179502
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | d72defa3-97f6-4373-92b2-a8c5b1a34abf | mp-1290584 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Li4V6Sn2O16
_chemical_formula_sum "Li4 V6 Sn2 O16"
_cell_length_a 6.05952536
_cell_length_b 6.01027081
_cell_length_c 10.79416155
_cell_angle_alpha 74.08540665
_cell_angle_beta 90.27515091
_cell_angle_gamma 120.32441300999999
_spac... | data_image0
_chemical_formula_structural Li4V6Sn2O16Li4V6Sn2O16Li4V6Sn2O16Li4V6Sn2O16Li4V6Sn2O16Li4V6Sn2O16
_chemical_formula_sum "Li24 V36 Sn12 O96"
_cell_length_a 6.05952536
_cell_length_b 18.030812429999997
_cell_length_c 21.5883231
_cell_angle_alpha 74.08540665
_cell_angle_be... |
SuperCellAction | 5a263b7e-092f-4216-b573-9329d00364e8 | mp-1044904 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28Y4Si2Sb2W13O28Y4Si2Sb2W13O28Y4Si2Sb2W13O28Y4Si2Sb2W13O28Y4Si2Sb2W13O28Y4Si2Sb2W13O28Y4Si2Sb2W13O28
_chemical_formula_sum "Y32 Si16 Sb16 W104 O224"
_cell_length_a 12.97580073
_cell_length_b 25.95160146
_cell_length_c 38.498162999... |
SuperCellAction | 8bd6764b-18f7-45fe-b4c2-251dcc6ed059 | mp-1196873 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Er6Co8Ge26
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Er6Co8Ge26Er6Co8Ge26Er6Co8Ge26Er6Co8Ge26Er6Co8Ge26Er6Co8Ge26Er6Co8Ge26Er6Co8Ge26
_chemical_formula_sum "Er48 Co64 Ge208"
_cell_length_a 35.054876
_cell_length_b 8.763719
_cell_length_c 17.527438
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 34b5150a-dcb8-43d0-ba47-1c759dd066eb | mp-2231769 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural MgMn2Se4O12
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_space_... | data_image0
_chemical_formula_structural MgMn2Se4O12MgMn2Se4O12MgMn2Se4O12MgMn2Se4O12MgMn2Se4O12MgMn2Se4O12MgMn2Se4O12MgMn2Se4O12
_chemical_formula_sum "Mg8 Mn16 Se32 O96"
_cell_length_a 10.88924898
_cell_length_b 13.78931778
_cell_length_c 15.78323646
_cell_angle_alpha 88.697890... |
SuperCellAction | dd95ea5d-473f-45d7-88b5-55c5930e1c02 | mp-1209619 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF6Rb3BiF6
_chemical_formula_sum "Rb6 Bi2 F12"
_cell_length_a 18.25605426
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_spa... |
SuperCellAction | cd421928-9d96-4174-8ca8-21df421371f2 | mp-780652 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58
_chemical_formula_sum "Li48 V36 P96 O348"
_cell_length_a 29.279103
_cell_length_b 19.5423253
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_bet... |
SuperCellAction | b472c36e-05d4-4511-b658-c560dba5ec1f | mp-17986 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Ti4Tl8O12
_chemical_formula_sum "Ti4 Tl8 O12"
_cell_length_a 3.82186766
_cell_length_b 9.74164138
_cell_length_c 12.57036186
_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 Ti4Tl8O12Ti4Tl8O12Ti4Tl8O12Ti4Tl8O12
_chemical_formula_sum "Ti16 Tl32 O48"
_cell_length_a 15.28747064
_cell_length_b 9.74164138
_cell_length_c 12.57036186
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 4c1cb3b7-efb5-47ec-b31e-946cc51e2a34 | mp-759739 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6O3F15V6O3F15
_chemical_formula_sum "V12 O6 F30"
_cell_length_a 8.44599678
_cell_length_b 16.89199356
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt ... |
SuperCellAction | 11d8fa2a-1305-4585-aa40-4e6a56e122a0 | mp-1198663 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 K8Li4H24N12K8Li4H24N12K8Li4H24N12
_chemical_formula_sum "K24 Li12 H72 N36"
_cell_length_a 7.004138
_cell_length_b 21.012414
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | d74ae444-e964-4511-bfda-b98388a3a1da | mp-985591 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural Li6PS5BrLi6PS5BrLi6PS5BrLi6PS5Br
_chemical_formula_sum "Li24 P4 S20 Br4"
_cell_length_a 14.57378188
_cell_length_b 7.286890940000001
_cell_length_c 14.573781879999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999... |
SuperCellAction | f10879ff-a44a-4e47-9edd-3317935dba5b | mp-753615 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4
_chemical_formula_sum "Li24 Mn24 O32 F32"
_cell_length_a 5.80379245
_cell_length_b 12.08941788
_cell_length_c 24.28378116
_cell_angle_alpha 61.13841958
_cell_... |
SuperCellAction | f79ceca1-29a3-4603-b51b-485cf87c742f | mp-3887 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16Li24Ga8N16Li24Ga8N16
_chemical_formula_sum "Li72 Ga24 N48"
_cell_length_a 24.86097228
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma ... |
SuperCellAction | b5a6c34e-4129-45a3-b1d9-5c9b8e39471c | mp-17235 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Sm8Si8O28
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_name_H... | data_image0
_chemical_formula_structural Sm8Si8O28Sm8Si8O28Sm8Si8O28Sm8Si8O28Sm8Si8O28Sm8Si8O28Sm8Si8O28Sm8Si8O28
_chemical_formula_sum "Sm64 Si64 O224"
_cell_length_a 10.8054949
_cell_length_b 17.1142592
_cell_length_c 25.78623786
_cell_angle_alpha 90.5950217
_cell_angle_beta ... |
SuperCellAction | 4a450e2f-5dc6-4a37-93bc-4e5efdaba79c | mp-1213955 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 Cd4N4O20Cd4N4O20Cd4N4O20Cd4N4O20Cd4N4O20Cd4N4O20
_chemical_formula_sum "Cd24 N24 O120"
_cell_length_a 11.383392
_cell_length_b 7.601727
_cell_length_c 28.811412
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | af34e85f-873d-42f9-ae76-2b0edcdb0923 | mp-1201551 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Zn2Sb8H36S14N12
_chemical_formula_sum "Zn2 Sb8 H36 S14 N12"
_cell_length_a 7.313892
_cell_length_b 12.110583669999999
_cell_length_c 13.059800959999999
_cell_angle_alpha 103.33840632000002
_cell_angle_beta 90.13459461
_cell_angle_gamma... | data_image0
_chemical_formula_structural Zn2Sb8H36S14N12Zn2Sb8H36S14N12Zn2Sb8H36S14N12Zn2Sb8H36S14N12Zn2Sb8H36S14N12Zn2Sb8H36S14N12
_chemical_formula_sum "Zn12 Sb48 H216 S84 N72"
_cell_length_a 21.941676
_cell_length_b 12.110583669999999
_cell_length_c 26.119601919999997
_cell_angle... |
SuperCellAction | 42728982-ed98-49a8-8b47-06cb58874f1e | mp-1522623 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural BaCaNi4O12
_chemical_formula_sum "Ba1 Ca1 Ni4 O12"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_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 BaCaNi4O12BaCaNi4O12
_chemical_formula_sum "Ba2 Ca2 Ni8 O24"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 15.5008186
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | 33c95a09-ab07-4ba4-bac7-66871523a1a2 | mp-559041 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4Tl2Mo4Cl14O4Tl2Mo4Cl14O4Tl2Mo4Cl14O4Tl2Mo4Cl14O4Tl2Mo4Cl14O4
_chemical_formula_sum "Tl12 Mo24 Cl84 O24"
_cell_length_a 7.267019
_cell_length_b 19.25160688
_cell_length_c 30.84436272
_cell_angle_alpha 103.5128878
_cell_angle_bet... |
SuperCellAction | 864eed81-b8c2-4ddd-9044-9d3789508367 | mp-11677 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Sr6Si4As8
_chemical_formula_sum "Sr6 Si4 As8"
_cell_length_a 7.41288523
_cell_length_b 8.18057683
_cell_length_c 9.634138079999998
_cell_angle_alpha 107.99968487
_cell_angle_beta 104.90105808
_cell_angle_gamma 107.46005473
_space_g... | data_image0
_chemical_formula_structural Sr6Si4As8Sr6Si4As8Sr6Si4As8Sr6Si4As8Sr6Si4As8Sr6Si4As8Sr6Si4As8Sr6Si4As8
_chemical_formula_sum "Sr48 Si32 As64"
_cell_length_a 29.65154092
_cell_length_b 16.36115366
_cell_length_c 9.634138079999998
_cell_angle_alpha 107.99968487
_cell_ang... |
SuperCellAction | 5d4eba4d-cb6a-416d-872c-ccdadb95a5db | mp-11609 | Create a supercell with the size 1x2x4. | 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 Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4
_chemical_formula_sum "Sb16 Mo32 S32"
_cell_length_a 3.20347563
_cell_length_b 13.11556732
_cell_length_c 37.93036424
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0... |
SuperCellAction | e5656853-3f1a-4c49-b81d-0573b76b372f | mp-1245768 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Mg4Cd2N4
_chemical_formula_sum "Mg4 Cd2 N4"
_cell_length_a 7.927519
_cell_length_b 7.927519
_cell_length_c 7.927519
_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 Mg4Cd2N4Mg4Cd2N4
_chemical_formula_sum "Mg8 Cd4 N8"
_cell_length_a 7.927519
_cell_length_b 7.927519
_cell_length_c 15.855038
_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 | 2e1758d8-739f-4286-a9d6-fcd2cf000478 | mp-1212370 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Ho12Ge8Rh8
_chemical_formula_sum "Ho12 Ge8 Rh8"
_cell_length_a 5.580697
_cell_length_b 7.843472
_cell_length_c 13.186739
_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 Ho12Ge8Rh8Ho12Ge8Rh8Ho12Ge8Rh8Ho12Ge8Rh8
_chemical_formula_sum "Ho48 Ge32 Rh32"
_cell_length_a 5.580697
_cell_length_b 31.373888
_cell_length_c 13.186739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | ee26bf6c-f2ff-49e2-9f47-5c37afa9ada4 | mp-1213000 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Eu2Ag2W4O16
_chemical_formula_sum "Eu2 Ag2 W4 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_... | data_image0
_chemical_formula_structural Eu2Ag2W4O16Eu2Ag2W4O16Eu2Ag2W4O16Eu2Ag2W4O16
_chemical_formula_sum "Eu8 Ag8 W16 O64"
_cell_length_a 7.55169242
_cell_length_b 15.103384840000002
_cell_length_c 14.9350686
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell... |
SuperCellAction | 46a25ec9-e7c4-4338-b0a4-0a1057fddacb | mp-1195825 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si12Br24Si12Br24Si12Br24Si12Br24Si12Br24Si12Br24Si12Br24Si12Br24
_chemical_formula_sum "Si96 Br192"
_cell_length_a 21.32890156
_cell_length_b 21.32890156
_cell_length_c 29.322203199999997
_cell_angle_alpha 72.55431714
_cell_angle_beta ... |
SuperCellAction | a8508504-d1b0-4721-810a-80e73cafae24 | mp-4647 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural K3Cu8Se6
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... | data_image0
_chemical_formula_structural K3Cu8Se6K3Cu8Se6K3Cu8Se6K3Cu8Se6
_chemical_formula_sum "K12 Cu32 Se24"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 40.4925294
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949... |
SuperCellAction | 5ed7f3e6-00be-4af9-b732-0211cd289e6e | mp-26100 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Bi8P12O48
_chemical_formula_sum "Bi8 P12 O48"
_cell_length_a 9.120766
_cell_length_b 9.141018
_cell_length_c 15.47386341
_cell_angle_alpha 54.48873889
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Bi8P12O48Bi8P12O48Bi8P12O48Bi8P12O48Bi8P12O48Bi8P12O48
_chemical_formula_sum "Bi48 P72 O288"
_cell_length_a 18.241532
_cell_length_b 9.141018
_cell_length_c 46.42159023000001
_cell_angle_alpha 54.488738890000015
_cell_angle_beta 90.0
_... |
SuperCellAction | 74a9153d-a618-444a-be67-06bec4a5dc38 | mp-752777 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Li4Fe3CoO8
_chemical_formula_sum "Li4 Fe3 Co1 O8"
_cell_length_a 5.95231481
_cell_length_b 5.952314810000001
_cell_length_c 5.09858763
_cell_angle_alpha 73.25624736
_cell_angle_beta 73.25624736
_cell_angle_gamma 59.330730630000005
... | data_image0
_chemical_formula_structural Li4Fe3CoO8Li4Fe3CoO8Li4Fe3CoO8Li4Fe3CoO8Li4Fe3CoO8Li4Fe3CoO8Li4Fe3CoO8Li4Fe3CoO8
_chemical_formula_sum "Li32 Fe24 Co8 O64"
_cell_length_a 23.80925924
_cell_length_b 11.904629620000001
_cell_length_c 5.09858763
_cell_angle_alpha 73.25624736... |
SuperCellAction | 294b8504-366e-4df7-b162-8bfd1b1156a4 | mp-1177332 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Li4MnFe3B4O12
_chemical_formula_sum "Li4 Mn1 Fe3 B4 O12"
_cell_length_a 5.209459
_cell_length_b 5.21715111
_cell_length_c 10.40281557
_cell_angle_alpha 90.67404247999998
_cell_angle_beta 91.00879627
_cell_angle_gamma 119.74463066
_... | data_image0
_chemical_formula_structural Li4MnFe3B4O12Li4MnFe3B4O12
_chemical_formula_sum "Li8 Mn2 Fe6 B8 O24"
_cell_length_a 5.209459
_cell_length_b 5.21715111
_cell_length_c 20.80563114
_cell_angle_alpha 90.67404247999998
_cell_angle_beta 91.00879627
_cell_angle_gamma 11... |
SuperCellAction | eeecb075-32d8-4f77-b5ff-3065454dde52 | mp-1516486 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural SrNdNiBiO6
_chemical_formula_sum "Sr1 Nd1 Ni1 Bi1 O6"
_cell_length_a 5.77449881
_cell_length_b 5.774498810000001
_cell_length_c 5.77449881
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.0... | data_image0
_chemical_formula_structural SrNdNiBiO6SrNdNiBiO6SrNdNiBiO6SrNdNiBiO6
_chemical_formula_sum "Sr4 Nd4 Ni4 Bi4 O24"
_cell_length_a 5.77449881
_cell_length_b 23.097995240000003
_cell_length_c 5.77449881
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999... |
SuperCellAction | a4fa790a-0ae9-4fa6-b526-56e13f4d478d | mp-9481 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Tc4S8
_chemical_formula_sum "Tc4 S8"
_cell_length_a 6.38134449
_cell_length_b 6.48675849
_cell_length_c 6.95590854
_cell_angle_alpha 65.62866346
_cell_angle_beta 76.93457244
_cell_angle_gamma 61.067347579999996
_space_group_name_H-... | data_image0
_chemical_formula_structural Tc4S8Tc4S8Tc4S8Tc4S8Tc4S8Tc4S8
_chemical_formula_sum "Tc24 S48"
_cell_length_a 6.38134449
_cell_length_b 19.460275469999996
_cell_length_c 13.91181708
_cell_angle_alpha 65.62866346
_cell_angle_beta 76.93457244
_cell_angle_gamma 61.0... |
SuperCellAction | 83420831-55fc-4d16-8a0d-7730e793a2bc | mp-1346690 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14Mg2Sn2P4O14
_chemical_formula_sum "Mg16 Sn16 P32 O112"
_cell_length_a 26.90388
_cell_length_b 7.04770682
_cell_length_c 14.2566227
_cell_angle_alpha 75.45766706
_... |
SuperCellAction | 7c6fbc7d-8944-4876-9f8c-aae1bd70742e | mp-1191000 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Eu6Si4Ni12
_chemical_formula_sum "Eu6 Si4 Ni12"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Eu6Si4Ni12Eu6Si4Ni12Eu6Si4Ni12Eu6Si4Ni12Eu6Si4Ni12Eu6Si4Ni12
_chemical_formula_sum "Eu36 Si24 Ni72"
_cell_length_a 15.39842358
_cell_length_b 23.09763537
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.471... |
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