AlZnCuH4
Alexandria ALEXAlex-ID: agm007656312 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD4_1492_spg12
Al4Cu9 AlH9 AlH3 Zn8Cu5
2024-10-22 08:02:41.949387
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007656312).
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 agm007656312
data_agm007656312
_cell_length_a 6.87029
_cell_length_b 6.87029
_cell_length_c 6.70853
_cell_angle_alpha 55.12228
_cell_angle_beta 55.12228
_cell_angle_gamma 37.46056
_cell_volume 153.52008
_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 0.40206 0.40206 0.90696 1.00000
Al2 Al 0.59794 0.59794 0.09304 1.00000
Zn1 Zn 0.89654 0.89654 0.51529 1.00000
Zn2 Zn 0.10346 0.10346 0.48471 1.00000
Cu1 Cu 0.66863 0.66863 0.66633 1.00000
Cu2 Cu 0.33137 0.33137 0.33367 1.00000
H1 H 0.31818 0.31818 0.80609 1.00000
H2 H 0.68182 0.68182 0.19391 1.00000
H3 H 0.09543 0.64706 0.11136 1.00000
H4 H 0.44328 0.44328 0.37002 1.00000
H5 H 0.35294 0.90457 0.88864 1.00000
H6 H 0.64706 0.09543 0.11136 1.00000
H7 H 0.55672 0.55672 0.62998 1.00000
H8 H 0.90457 0.35294 0.88864 1.00000
获取直接链接