Fe2Ru2Au3
Alexandria ALEXAlex-ID: agm010085232 · 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
A2B2C3_23_spg12
Fe Ru Au
2024-07-09 08:10:55.936362
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010085232).
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 agm010085232
data_agm010085232
_cell_length_a 4.79021
_cell_length_b 4.79021
_cell_length_c 6.29472
_cell_angle_alpha 80.91429
_cell_angle_beta 80.91429
_cell_angle_gamma 49.18598
_cell_volume 107.65564
_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
Fe1 Fe 0.29438 0.29438 0.67732 1.00000
Fe2 Fe 0.70562 0.70562 0.32268 1.00000
Ru1 Ru 0.85774 0.85774 0.94207 1.00000
Ru2 Ru 0.14226 0.14226 0.05793 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
Au2 Au 0.41427 0.41427 0.23040 1.00000
Au3 Au 0.58573 0.58573 0.76960 1.00000
获取直接链接