Cs4SiSe4
Alexandria ALEXAlex-ID: agm015192564 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C4_167_spg8
Cs4SiSe4
2025-01-08 01:15:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015192564).
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 agm015192564
data_agm015192564
_cell_length_a 8.77793
_cell_length_b 8.77793
_cell_length_c 8.77793
_cell_angle_alpha 130.90651
_cell_angle_beta 130.90651
_cell_angle_gamma 71.96166
_cell_volume 377.83915
_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
Cs1 Cs 0.56135 0.16058 0.00000 1.00000
Cs2 Cs 0.16058 0.56135 0.00000 1.00000
Cs3 Cs 0.43865 0.43865 0.59924 1.00000
Cs4 Cs 0.83942 0.83942 0.40076 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.91786 0.27852 0.00000 1.00000
Se2 Se 0.27852 0.91786 0.00000 1.00000
Se3 Se 0.08214 0.08214 0.36066 1.00000
Se4 Se 0.72148 0.72148 0.63934 1.00000
