Ti5(CuAu)3
Alexandria ALEXAlex-ID: agm005680828 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C5_64_spg189
Ti3Au Cu TiAu
2023-06-23 01:14:04.085519
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005680828).
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
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# CIF generated by HEAS from Alexandria entry agm005680828
data_agm005680828
_cell_length_a 2.87667
_cell_length_b 8.73697
_cell_length_c 8.73697
_cell_angle_alpha 120.00020
_cell_angle_beta 89.99999
_cell_angle_gamma 90.00075
_cell_volume 190.16975
_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 0.66667 0.33333 1.00000
Ti2 Ti 0.50000 0.33333 0.66667 1.00000
Ti3 Ti 0.50000 0.33760 1.00000 1.00000
Ti4 Ti 0.50000 0.66239 0.66239 1.00000
Ti5 Ti 0.50000 1.00000 0.33760 1.00000
Cu1 Cu 0.50000 0.84320 1.00000 1.00000
Cu2 Cu 0.50000 0.15679 0.15679 1.00000
Cu3 Cu 0.50000 1.00000 0.84320 1.00000
Au1 Au 0.00000 0.59858 0.00000 1.00000
Au2 Au 1.00000 0.00000 0.59858 1.00000
Au3 Au 1.00000 0.40142 0.40142 1.00000
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