U3Ti2Al3
Alexandria ALEXAlex-ID: agm009457979 · 空间群: Pmmm (#47)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_18_spg47
TiAl TiAl2 U
2024-05-28 06:36:35.840336
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009457979).
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 agm009457979
data_agm009457979
_cell_length_a 3.90136
_cell_length_b 4.55838
_cell_length_c 8.42508
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 149.83070
_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
U1 U 0.50000 0.00000 0.77772 1.00000
U2 U 0.50000 0.00000 0.22228 1.00000
U3 U 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.00000 0.50000 0.72976 1.00000
Ti2 Ti 0.00000 0.50000 0.27024 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Al2 Al 0.50000 0.50000 0.00000 1.00000
Al3 Al 0.50000 0.50000 0.50000 1.00000
获取直接链接