AlCuSnH6
Alexandria ALEXAlex-ID: agm007665442 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_174_spg1
AlH3 Al4Cu9 AlH9 SnH2
2024-02-09 08:56:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007665442).
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 agm007665442
data_agm007665442
_cell_length_a 5.49357
_cell_length_b 5.09799
_cell_length_c 6.18336
_cell_angle_alpha 123.97707
_cell_angle_beta 107.96388
_cell_angle_gamma 98.65696
_cell_volume 124.63719
_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 0.46217 0.70134 0.45553 1.00000
Cu1 Cu 0.54991 0.28286 0.56581 1.00000
Sn1 Sn 0.97474 0.80655 0.14239 1.00000
H1 H 0.39283 0.95363 0.20914 1.00000
H2 H 0.89673 0.44694 0.71524 1.00000
H3 H 0.68937 0.62689 0.34280 1.00000
H4 H 0.48522 0.10851 0.71555 1.00000
H5 H 0.43170 0.58693 0.66437 1.00000
H6 H 0.11737 0.48659 0.18909 1.00000
获取直接链接