GaSn(H4Au)2
Alexandria ALEXAlex-ID: agm007615552 · 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
ABC2D8_2031_spg1
Ga2Au H2 SnAu H6Au
2024-02-09 10:23:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007615552).
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 agm007615552
data_agm007615552
_cell_length_a 5.59704
_cell_length_b 4.56729
_cell_length_c 7.87804
_cell_angle_alpha 87.76472
_cell_angle_beta 92.74845
_cell_angle_gamma 126.81766
_cell_volume 161.02247
_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
Ga1 Ga 0.05134 0.12830 0.77704 1.00000
Sn1 Sn 0.98240 0.25147 0.20472 1.00000
H1 H 0.28880 0.79597 0.43698 1.00000
H2 H 0.25234 0.58313 0.71927 1.00000
H3 H 0.91397 0.01937 0.54002 1.00000
H4 H 0.91293 0.19431 0.93950 1.00000
H5 H 0.27078 0.78109 0.12280 1.00000
H6 H 0.22211 0.96650 0.82261 1.00000
H7 H 0.51555 0.42954 0.42840 1.00000
H8 H 0.60308 0.45891 0.13569 1.00000
Au1 Au 0.42539 0.12223 0.27688 1.00000
Au2 Au 0.56131 0.76918 0.59610 1.00000
获取直接链接