AlSn(H2Au)2
Alexandria ALEXAlex-ID: agm007466483 · 空间群: I222 (#23)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_367_spg23
AlH9 AlAu SnAu H6Au
2024-02-09 08:53:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007466483).
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 agm007466483
data_agm007466483
_cell_length_a 5.86165
_cell_length_b 5.86165
_cell_length_c 5.86165
_cell_angle_alpha 143.18997
_cell_angle_beta 107.32717
_cell_angle_gamma 84.34984
_cell_volume 111.69180
_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
Al1 Al 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
H1 H 0.74568 0.16869 0.12119 1.00000
H2 H 0.25432 0.37551 0.42302 1.00000
H3 H 0.95250 0.83131 0.57698 1.00000
H4 H 0.04750 0.62449 0.87881 1.00000
Au1 Au 0.25649 0.75649 0.50000 1.00000
Au2 Au 0.74351 0.24351 0.50000 1.00000
获取直接链接