Li(H2Au)4
Alexandria ALEXAlex-ID: agm007337474 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_133_spg2
LiH2Au H6Au LiAu3
2024-02-09 14:17:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007337474).
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 agm007337474
data_agm007337474
_cell_length_a 4.95711
_cell_length_b 5.06780
_cell_length_c 6.85997
_cell_angle_alpha 118.31501
_cell_angle_beta 93.18949
_cell_angle_gamma 102.25231
_cell_volume 145.79153
_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 0.00000 0.50000 0.00000 1.00000
H1 H 0.34767 0.84180 0.09701 1.00000
H2 H 0.26736 0.32872 0.56400 1.00000
H3 H 0.15149 0.05201 0.74744 1.00000
H4 H 0.19046 0.53753 0.29881 1.00000
H5 H 0.80954 0.46247 0.70119 1.00000
H6 H 0.84851 0.94799 0.25256 1.00000
H7 H 0.73264 0.67128 0.43600 1.00000
H8 H 0.65233 0.15820 0.90299 1.00000
Au1 Au 0.80977 0.83570 0.76492 1.00000
Au2 Au 0.19023 0.16430 0.23508 1.00000
Au3 Au 0.53495 0.74243 0.26961 1.00000
Au4 Au 0.46505 0.25757 0.73039 1.00000
获取直接链接