Er6Os2Au
Alexandria ALEXAlex-ID: agm005805853 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_712_spg71
Er5Os2 ErAu
2023-07-07 00:51:30.385537
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805853).
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 agm005805853
data_agm005805853
_cell_length_a 8.34424
_cell_length_b 8.34423
_cell_length_c 8.34424
_cell_angle_alpha 104.03545
_cell_angle_beta 112.47323
_cell_angle_gamma 112.03829
_cell_volume 444.24930
_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
Er1 Er 0.54305 0.72471 0.81834 1.00000
Er2 Er 0.45695 0.27529 0.18166 1.00000
Er3 Er 0.09363 0.27529 0.81834 1.00000
Er4 Er 0.90637 0.72471 0.18166 1.00000
Er5 Er 0.80215 0.75319 0.55534 1.00000
Er6 Er 0.19785 0.24681 0.44466 1.00000
Er7 Er 0.19785 0.75319 0.95103 1.00000
Er8 Er 0.80215 0.24681 0.04897 1.00000
Er9 Er 0.68541 0.35305 0.66764 1.00000
Er10 Er 0.31459 0.64695 0.33236 1.00000
Er11 Er 0.31459 0.98223 0.66764 1.00000
Er12 Er 0.68541 0.01777 0.33236 1.00000
Os1 Os 0.50000 0.37847 0.87847 1.00000
Os2 Os 0.50000 0.62153 0.12153 1.00000
Os3 Os 0.67398 1.00000 0.67398 1.00000
Os4 Os 0.32602 0.00000 0.32602 1.00000
Au1 Au 0.00000 0.50000 0.50000 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
获取直接链接