Al3Ge2H
Alexandria ALEXAlex-ID: agm006394656 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_7_spg15
Al Ge AlH3
2024-03-01 02:04:30.818307
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006394656).
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 agm006394656
data_agm006394656
_cell_length_a 6.86905
_cell_length_b 6.86905
_cell_length_c 7.66529
_cell_angle_alpha 74.30817
_cell_angle_beta 74.30817
_cell_angle_gamma 34.99988
_cell_volume 198.93235
_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 0.59392 0.40608 0.25000 1.00000
Al2 Al 0.40608 0.59392 0.75000 1.00000
Al3 Al 0.91151 0.77366 0.37190 1.00000
Al4 Al 0.22634 0.08849 0.12810 1.00000
Al5 Al 0.77366 0.91151 0.87190 1.00000
Al6 Al 0.08849 0.22634 0.62810 1.00000
Ge1 Ge 0.29657 0.42224 0.07732 1.00000
Ge2 Ge 0.42224 0.29657 0.57732 1.00000
Ge3 Ge 0.57776 0.70343 0.42268 1.00000
Ge4 Ge 0.70343 0.57776 0.92268 1.00000
H1 H 0.96132 0.03868 0.75000 1.00000
H2 H 0.03868 0.96132 0.25000 1.00000
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