Ti5(AlZn)3
Alexandria ALEXAlex-ID: agm005680901 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C5_71_spg6
Ti2AlZn TiAl TiAlZn2
2023-06-22 20:54:50.444477
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005680901).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005680901
data_agm005680901
_cell_length_a 2.74512
_cell_length_b 9.14984
_cell_length_c 9.54365
_cell_angle_alpha 128.93702
_cell_angle_beta 89.99990
_cell_angle_gamma 90.00010
_cell_volume 186.45653
_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 0.50000 0.74046 0.41494 1.00000
Ti2 Ti 0.50000 0.39814 0.75674 1.00000
Ti3 Ti 0.50000 0.32329 0.98555 1.00000
Ti4 Ti 0.50000 0.52758 0.56784 1.00000
Ti5 Ti 0.50000 0.02913 0.36668 1.00000
Al1 Al 0.00000 0.65959 0.11058 1.00000
Al2 Al 1.00000 0.08121 0.65464 1.00000
Al3 Al 1.00000 0.42199 0.27578 1.00000
Zn1 Zn 0.50000 0.77547 0.94740 1.00000
Zn2 Zn 0.50000 0.12357 0.13907 1.00000
Zn3 Zn 0.50000 0.91957 0.78077 1.00000
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