Al2Zn2H5
Alexandria ALEXAlex-ID: agm007189586 · 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
A2B2C5_608_spg12
Al3Zn4 Zn AlH3
2024-01-27 15:25:01.409415
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007189586).
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 agm007189586
data_agm007189586
_cell_length_a 2.85957
_cell_length_b 8.27124
_cell_length_c 8.46250
_cell_angle_alpha 144.72268
_cell_angle_beta 59.39795
_cell_angle_gamma 109.68391
_cell_volume 98.24053
_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
H1 H 0.25710 0.42043 0.76740 1.00000
H2 H 0.74290 0.57957 0.23260 1.00000
H3 H 0.16612 0.35133 0.45133 1.00000
H4 H 0.83389 0.64867 0.54867 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.02538 0.21467 0.78939 1.00000
Zn2 Zn 0.97463 0.78533 0.21061 1.00000
Al1 Al 0.37022 0.84847 0.65558 1.00000
Al2 Al 0.62979 0.15153 0.34442 1.00000
获取直接链接