TiAl7Ru8
Alexandria ALEXAlex-ID: agm047228751 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C8_5_spg166
TiAl7Ru8
2024-09-13 11:17:46.811419
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047228751).
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 agm047228751
data_agm047228751
_cell_length_a 14.12652
_cell_length_b 14.12652
_cell_length_c 14.12652
_cell_angle_alpha 17.35955
_cell_angle_beta 17.35955
_cell_angle_gamma 17.35955
_cell_volume 219.00125
_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
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.87455 0.87455 0.87455 1.00000
Al2 Al 0.62508 0.62508 0.62508 1.00000
Al3 Al 0.37492 0.37492 0.37492 1.00000
Al4 Al 0.12545 0.12545 0.12545 1.00000
Al5 Al 0.75065 0.75065 0.75065 1.00000
Al6 Al 0.50000 0.50000 0.50000 1.00000
Al7 Al 0.24935 0.24935 0.24935 1.00000
Ru1 Ru 0.18737 0.18737 0.18737 1.00000
Ru2 Ru 0.93695 0.93695 0.93695 1.00000
Ru3 Ru 0.68825 0.68825 0.68825 1.00000
Ru4 Ru 0.43762 0.43762 0.43762 1.00000
Ru5 Ru 0.56238 0.56238 0.56238 1.00000
Ru6 Ru 0.31175 0.31175 0.31175 1.00000
Ru7 Ru 0.06305 0.06305 0.06305 1.00000
Ru8 Ru 0.81263 0.81263 0.81263 1.00000
获取直接链接