LiAs2P
Alexandria ALEXAlex-ID: agm002848522 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_784_spg122
Li3As7 Li3P7 As
2016-03-14 13:57:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002848522).
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 agm002848522
data_agm002848522
_cell_length_a 6.11347
_cell_length_b 6.11347
_cell_length_c 6.41119
_cell_angle_alpha 61.52460
_cell_angle_beta 61.52460
_cell_angle_gamma 90.00000
_cell_volume 176.95191
_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
P1 P 0.00000 0.00000 0.00000 1.00000
P2 P 0.75000 0.25000 0.50000 1.00000
As1 As 0.66148 0.12500 0.25000 1.00000
As2 As 0.08852 0.62500 0.25000 1.00000
As3 As 0.37500 0.33852 0.75000 1.00000
As4 As 0.87500 0.91148 0.75000 1.00000
Li1 Li 0.50000 0.50000 0.00000 1.00000
Li2 Li 0.25000 0.75000 0.50000 1.00000
获取直接链接