Hf(TiSn)2
Alexandria ALEXAlex-ID: agm003387366 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_194_spg12
Ti2Sn Ti6Sn5 Hf3Ti2Sn3
2022-02-12 01:41:17.332168
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003387366).
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 agm003387366
data_agm003387366
_cell_length_a 4.02625
_cell_length_b 5.18994
_cell_length_c 5.56654
_cell_angle_alpha 80.23709
_cell_angle_beta 68.79859
_cell_angle_gamma 67.17674
_cell_volume 99.89689
_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
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.20223 0.20418 0.39136 1.00000
Ti2 Ti 0.79777 0.79582 0.60864 1.00000
Sn1 Sn 0.58031 0.61515 0.22422 1.00000
Sn2 Sn 0.41969 0.38485 0.77578 1.00000
获取直接链接