Ge3SbAu5
Alexandria ALEXAlex-ID: agm072393529 · 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
AB3C5_1061_spg12
SbAu Ge Au
2024-09-24 09:11:10.704521
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072393529).
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 agm072393529
data_agm072393529
_cell_length_a 5.27571
_cell_length_b 5.27571
_cell_length_c 8.77805
_cell_angle_alpha 65.38157
_cell_angle_beta 65.38157
_cell_angle_gamma 82.27586
_cell_volume 201.69601
_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
Ge1 Ge 0.00000 0.50000 0.50000 1.00000
Ge2 Ge 0.50000 0.00000 0.50000 1.00000
Ge3 Ge 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
Au2 Au 0.37645 0.78862 0.17519 1.00000
Au3 Au 0.62355 0.21138 0.82481 1.00000
Au4 Au 0.78862 0.37645 0.17519 1.00000
Au5 Au 0.21138 0.62355 0.82481 1.00000
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