LiAs3
Alexandria ALEXAlex-ID: agm005488899 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_6_spg139
Li3As7 As
2023-03-19 00:53:41.468347
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005488899).
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 agm005488899
data_agm005488899
_cell_length_a 9.51334
_cell_length_b 9.51334
_cell_length_c 9.51334
_cell_angle_alpha 155.52534
_cell_angle_beta 155.52534
_cell_angle_gamma 34.88624
_cell_volume 147.61423
_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
Li1 Li 0.63200 0.63200 0.00000 1.00000
Li2 Li 0.36800 0.36800 0.00000 1.00000
As1 As 0.00000 0.50000 0.50000 1.00000
As2 As 0.50000 0.00000 0.50000 1.00000
As3 As 0.75000 0.25000 0.50000 1.00000
As4 As 0.25000 0.75000 0.50000 1.00000
As5 As 0.88388 0.88388 0.00000 1.00000
As6 As 0.11612 0.11612 0.00000 1.00000
获取直接链接