Li5(SiP2)2
Alexandria ALEXAlex-ID: agm005674804 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_948_spg12
Li2SiP2 Li3P Si
2023-06-22 01:57:02.429707
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674804).
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 agm005674804
data_agm005674804
_cell_length_a 3.45447
_cell_length_b 8.08715
_cell_length_c 7.30098
_cell_angle_alpha 70.10830
_cell_angle_beta 103.68452
_cell_angle_gamma 90.00000
_cell_volume 185.62743
_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 0.81748 0.54040 0.63497 1.00000
Li2 Li 0.18252 0.45960 0.36503 1.00000
Li3 Li 0.79688 0.13632 0.59376 1.00000
Li4 Li 0.50000 0.00000 0.00000 1.00000
Li5 Li 0.20312 0.86368 0.40624 1.00000
Si1 Si 0.51607 0.34444 0.03214 1.00000
Si2 Si 0.48393 0.65556 0.96786 1.00000
P1 P 0.36907 0.29804 0.73814 1.00000
P2 P 0.88403 0.79501 0.76806 1.00000
P3 P 0.63093 0.70196 0.26186 1.00000
P4 P 0.11597 0.20499 0.23194 1.00000
获取直接链接