TlTe
Alexandria ALEXAlex-ID: agm005463277 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_37_spg8
Tl2Te3 Tl2Te
2023-03-22 01:21:57.805519
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005463277).
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 agm005463277
data_agm005463277
_cell_length_a 7.52068
_cell_length_b 7.52068
_cell_length_c 8.93988
_cell_angle_alpha 78.10982
_cell_angle_beta 78.10982
_cell_angle_gamma 24.66889
_cell_volume 206.29588
_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 0.99636 0.99636 0.99575 1.00000
Tl2 Tl 0.95529 0.95529 0.56722 1.00000
Tl3 Tl 0.26683 0.26683 0.96755 1.00000
Te1 Te 0.34755 0.34755 0.32243 1.00000
Te2 Te 0.66332 0.66332 0.72105 1.00000
Te3 Te 0.60398 0.60398 0.25933 1.00000
获取直接链接