V(SO3)2
Alexandria ALEXAlex-ID: agm005686449 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_3058_spg15
VS4 V2(SO4)3 S8O
2023-07-09 03:17:33.230944
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686449).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005686449
data_agm005686449
_cell_length_a 10.55856
_cell_length_b 5.53741
_cell_length_c 5.53741
_cell_angle_alpha 88.61359
_cell_angle_beta 71.55227
_cell_angle_gamma 71.55228
_cell_volume 290.29783
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
V1 V 0.25000 0.06139 0.93861 1.00000
V2 V 0.75000 0.93861 0.06139 1.00000
S1 S 0.28378 0.60818 0.74915 1.00000
S2 S 0.21622 0.25085 0.39182 1.00000
S3 S 0.71622 0.39182 0.25085 1.00000
S4 S 0.78378 0.74915 0.60818 1.00000
O1 O 0.39448 0.74613 0.75340 1.00000
O2 O 0.10552 0.24660 0.25387 1.00000
O3 O 0.60552 0.25387 0.24660 1.00000
O4 O 0.89448 0.75340 0.74613 1.00000
O5 O 0.83380 0.84580 0.34356 1.00000
O6 O 0.66620 0.65644 0.15420 1.00000
O7 O 0.16620 0.15420 0.65644 1.00000
O8 O 0.33380 0.34356 0.84580 1.00000
O9 O 0.16296 0.78342 0.97994 1.00000
O10 O 0.33704 0.02006 0.21658 1.00000
O11 O 0.83704 0.21658 0.02006 1.00000
O12 O 0.66296 0.97994 0.78342 1.00000
获取直接链接