SiSeBr
Alexandria ALEXAlex-ID: agm002023947 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_7021_spg1
SiSe2 Si SiBr3
2021-11-16 03:02:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002023947).
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 agm002023947
data_agm002023947
_cell_length_a 3.56783
_cell_length_b 7.36610
_cell_length_c 8.62289
_cell_angle_alpha 71.07775
_cell_angle_beta 78.77843
_cell_angle_gamma 86.09789
_cell_volume 210.27025
_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
Si1 Si 0.39224 0.44062 0.23822 1.00000
Si2 Si 0.52410 0.47854 0.94669 1.00000
Se1 Se 0.85539 0.25255 0.37273 1.00000
Se2 Se 0.08015 0.31894 0.87517 1.00000
Br1 Br 0.55086 0.79001 0.79951 1.00000
Br2 Br 0.33175 0.72649 0.27655 1.00000
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