Al2ZnH6Os
Alexandria ALEXAlex-ID: agm007240899 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_465_spg2
ZnH2 ZnH8Os AlH9 Al2Os
2025-05-27 17:48:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007240899).
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 agm007240899
data_agm007240899
_cell_length_a 4.22905
_cell_length_b 4.99876
_cell_length_c 5.53934
_cell_angle_alpha 90.03527
_cell_angle_beta 90.00365
_cell_angle_gamma 117.96854
_cell_volume 103.42497
_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 0.50026 0.50041 0.23289 1.00000
Al2 Al 0.49974 0.49959 0.76711 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
H1 H 0.70182 0.24789 0.70242 1.00000
H2 H 0.12195 0.22041 0.49949 1.00000
H3 H 0.29818 0.75211 0.29758 1.00000
H4 H 0.29784 0.75168 0.70301 1.00000
H5 H 0.87805 0.77959 0.50051 1.00000
H6 H 0.70216 0.24832 0.29699 1.00000
Os1 Os 0.00000 0.50000 0.50000 1.00000
获取直接链接