TiBiH6
Alexandria ALEXAlex-ID: agm006674209 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_5_spg149
BiH2 BiH9 TiH2
2025-06-26 05:47:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006674209).
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 agm006674209
data_agm006674209
_cell_length_a 3.72345
_cell_length_b 3.78707
_cell_length_c 5.15443
_cell_angle_alpha 80.67009
_cell_angle_beta 76.89016
_cell_angle_gamma 81.27161
_cell_volume 69.34985
_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 0.89714 0.06786 0.96963 1.00000
Bi1 Bi 0.57738 0.50846 0.46261 1.00000
H1 H 0.03976 0.79017 0.26608 1.00000
H2 H 0.45858 0.26885 0.16451 1.00000
H3 H 0.97081 0.57684 0.87265 1.00000
H4 H 0.44136 0.94262 0.91729 1.00000
H5 H 0.09253 0.13635 0.60977 1.00000
H6 H 0.02244 0.20884 0.23746 1.00000
获取直接链接