Al5Os
Alexandria ALEXAlex-ID: agm002196462 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5_173_spg194
Al6Os Al15Os4
2018-07-16 13:52:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002196462).
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 agm002196462
data_agm002196462
_cell_length_a 4.99346
_cell_length_b 4.99346
_cell_length_c 8.63565
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 186.47852
_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
Os1 Os 0.00000 0.00000 0.50000 1.00000
Os2 Os 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.66667 0.33333 0.93433 1.00000
Al2 Al 0.33333 0.66667 0.43433 1.00000
Al3 Al 0.66667 0.33333 0.56567 1.00000
Al4 Al 0.33333 0.66667 0.06567 1.00000
Al5 Al 0.16657 0.83343 0.75000 1.00000
Al6 Al 0.83343 0.66686 0.25000 1.00000
Al7 Al 0.33314 0.16657 0.25000 1.00000
Al8 Al 0.66686 0.83343 0.75000 1.00000
Al9 Al 0.16657 0.33314 0.75000 1.00000
Al10 Al 0.83343 0.16657 0.25000 1.00000
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