SrLiZnH8
Alexandria ALEXAlex-ID: agm096937863 · 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
ABCD8_41_spg1
LiH9 SrZnH4 LiH
2025-05-28 23:02:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096937863).
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 agm096937863
data_agm096937863
_cell_length_a 4.98420
_cell_length_b 6.48317
_cell_length_c 6.53406
_cell_angle_alpha 135.87748
_cell_angle_beta 111.82846
_cell_angle_gamma 92.32127
_cell_volume 120.02749
_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
Sr1 Sr 0.96968 0.91022 0.04805 1.00000
Li1 Li 0.46522 0.36298 0.09226 1.00000
Zn1 Zn 0.16001 0.63471 0.39943 1.00000
H1 H 0.48670 0.39011 0.76815 1.00000
H2 H 0.86856 0.99276 0.45384 1.00000
H3 H 0.38435 0.49006 0.80843 1.00000
H4 H 0.77217 0.07747 0.43265 1.00000
H5 H 0.15410 0.92737 0.75094 1.00000
H6 H 0.24571 0.69310 0.21562 1.00000
H7 H 0.43328 0.48673 0.44242 1.00000
H8 H 0.81023 0.28450 0.08821 1.00000
获取直接链接