HoTi2Al5
Alexandria ALEXAlex-ID: agm003480239 · 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
AB2C5_55_spg71
TiAl HoAl2 TiAl2
2022-02-20 08:51:57.022408
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003480239).
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 agm003480239
data_agm003480239
_cell_length_a 3.90637
_cell_length_b 7.23816
_cell_length_c 7.23816
_cell_angle_alpha 51.16521
_cell_angle_beta 74.34495
_cell_angle_gamma 74.34495
_cell_volume 152.11835
_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
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.77628 0.72372 0.72372 1.00000
Ti2 Ti 0.22372 0.27628 0.27628 1.00000
Al1 Al 0.00000 0.50000 0.50000 1.00000
Al2 Al 0.61446 0.60234 0.16874 1.00000
Al3 Al 0.38554 0.39766 0.83126 1.00000
Al4 Al 0.38554 0.83126 0.39766 1.00000
Al5 Al 0.61446 0.16874 0.60234 1.00000
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