Al2InHgH8
Alexandria ALEXAlex-ID: agm007604183 · 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
ABC2D8_29_spg2
AlH3 Hg In HgH4
2024-02-08 23:05:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007604183).
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 agm007604183
data_agm007604183
_cell_length_a 4.93752
_cell_length_b 5.16557
_cell_length_c 8.27551
_cell_angle_alpha 64.53672
_cell_angle_beta 102.63239
_cell_angle_gamma 74.11897
_cell_volume 168.98533
_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 0.48561 0.27469 0.65499 1.00000
Al2 Al 0.51439 0.72531 0.34501 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
H1 H 0.27137 0.53872 0.69846 1.00000
H2 H 0.24619 0.02080 0.34860 1.00000
H3 H 0.72863 0.46128 0.30154 1.00000
H4 H 0.70770 0.50358 0.59482 1.00000
H5 H 0.29230 0.49642 0.40518 1.00000
H6 H 0.73284 0.93847 0.31291 1.00000
H7 H 0.26716 0.06153 0.68709 1.00000
H8 H 0.75381 0.97920 0.65140 1.00000
获取直接链接