Tl5Ga2Bi5
Alexandria ALEXAlex-ID: agm005656183 · 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
A2B5C5_148_spg12
Bi Ga Tl2Bi
2023-06-18 23:31:28.826539
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656183).
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 agm005656183
data_agm005656183
_cell_length_a 5.43942
_cell_length_b 5.43912
_cell_length_c 13.82159
_cell_angle_alpha 87.99387
_cell_angle_beta 87.99675
_cell_angle_gamma 65.00647
_cell_volume 370.30913
_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
Tl1 Tl 0.50000 0.50000 0.50000 1.00000
Tl2 Tl 0.33596 0.33596 0.07097 1.00000
Tl3 Tl 0.25928 0.25928 0.32045 1.00000
Tl4 Tl 0.74072 0.74072 0.67955 1.00000
Tl5 Tl 0.66404 0.66404 0.92903 1.00000
Ga1 Ga 0.02717 0.02717 0.78728 1.00000
Ga2 Ga 0.97283 0.97283 0.21272 1.00000
Bi1 Bi 0.85791 0.85791 0.41215 1.00000
Bi2 Bi 0.37079 0.37080 0.78045 1.00000
Bi3 Bi 0.62921 0.62920 0.21955 1.00000
Bi4 Bi 0.14209 0.14209 0.58785 1.00000
Bi5 Bi 0.00000 0.00000 0.00000 1.00000
获取直接链接