AsS2
Alexandria ALEXAlex-ID: agm005541387 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_117_spg12
AsS2
2023-05-28 14:25:10.672793
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005541387).
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 agm005541387
data_agm005541387
_cell_length_a 3.80143
_cell_length_b 6.56132
_cell_length_c 7.44589
_cell_angle_alpha 71.57988
_cell_angle_beta 75.35777
_cell_angle_gamma 87.59955
_cell_volume 170.33435
_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
As1 As 0.80815 0.06186 0.78372 1.00000
As2 As 0.19185 0.93814 0.21628 1.00000
S1 S 0.28311 0.23054 0.94832 1.00000
S2 S 0.71689 0.76946 0.05168 1.00000
S3 S 0.54750 0.11827 0.36372 1.00000
S4 S 0.45250 0.88173 0.63628 1.00000
获取直接链接