UTi2Al5
Alexandria ALEXAlex-ID: agm002329068 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_14_spg139
TiAl2 UAl
2019-02-05 19:09:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002329068).
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 agm002329068
data_agm002329068
_cell_length_a 4.13215
_cell_length_b 4.13213
_cell_length_c 8.83093
_cell_angle_alpha 103.52793
_cell_angle_beta 103.52793
_cell_angle_gamma 90.00420
_cell_volume 142.29393
_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 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.50000 0.50000 0.00000 1.00000
Al2 Al 0.63257 0.13264 0.26524 1.00000
Al3 Al 0.13264 0.63257 0.26524 1.00000
Al4 Al 0.36743 0.86736 0.73476 1.00000
Al5 Al 0.86736 0.36743 0.73476 1.00000
Ti1 Ti 0.24240 0.24240 0.48486 1.00000
Ti2 Ti 0.75760 0.75760 0.51514 1.00000
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