Sr5Au2
Alexandria ALEXAlex-ID: agm009277635 · 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
A2B5_219_spg12
Sr5Au2
2024-08-04 21:35:30.499504
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009277635).
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
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# CIF generated by HEAS from Alexandria entry agm009277635
data_agm009277635
_cell_length_a 7.32683
_cell_length_b 7.32683
_cell_length_c 10.21851
_cell_angle_alpha 65.27990
_cell_angle_beta 65.27990
_cell_angle_gamma 34.32122
_cell_volume 278.09587
_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
Sr1 Sr 0.50000 0.50000 0.00000 1.00000
Sr2 Sr 0.62077 0.62077 0.56987 1.00000
Sr3 Sr 0.37923 0.37923 0.43013 1.00000
Sr4 Sr 0.82785 0.82785 0.80507 1.00000
Sr5 Sr 0.17215 0.17215 0.19493 1.00000
Au1 Au 0.82876 0.82876 0.23423 1.00000
Au2 Au 0.17124 0.17124 0.76577 1.00000
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