V(SiS3)2
Alexandria ALEXAlex-ID: agm003496136 · 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_692_spg15
V5S8 SiS2 VS4
2022-03-10 21:43:21.926334
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003496136).
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 agm003496136
data_agm003496136
_cell_length_a 6.14344
_cell_length_b 7.83823
_cell_length_c 7.83823
_cell_angle_alpha 84.77424
_cell_angle_beta 81.39240
_cell_angle_gamma 81.39240
_cell_volume 368.07355
_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 0.12507 0.87493 1.00000
V2 V 0.75000 0.87493 0.12507 1.00000
Si1 Si 0.16247 0.62359 0.77997 1.00000
Si2 Si 0.33753 0.22003 0.37641 1.00000
Si3 Si 0.83753 0.37641 0.22003 1.00000
Si4 Si 0.66247 0.77997 0.62359 1.00000
S1 S 0.36776 0.70835 0.55003 1.00000
S2 S 0.13224 0.44997 0.29165 1.00000
S3 S 0.63224 0.29165 0.44997 1.00000
S4 S 0.86776 0.55003 0.70835 1.00000
S5 S 0.84590 0.88209 0.38897 1.00000
S6 S 0.65410 0.61103 0.11791 1.00000
S7 S 0.15410 0.11791 0.61103 1.00000
S8 S 0.34590 0.38897 0.88209 1.00000
S9 S 0.11342 0.81901 0.96562 1.00000
S10 S 0.38658 0.03438 0.18099 1.00000
S11 S 0.88658 0.18099 0.03438 1.00000
S12 S 0.61342 0.96562 0.81901 1.00000
获取直接链接