TlHgTe
Alexandria ALEXAlex-ID: agm005607914 · 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
ABC_9528_spg8
HgTe Hg Tl2Te
2023-06-18 13:33:00.139195
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607914).
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 agm005607914
data_agm005607914
_cell_length_a 4.61168
_cell_length_b 6.66858
_cell_length_c 7.29162
_cell_angle_alpha 97.52978
_cell_angle_beta 108.45755
_cell_angle_gamma 110.25446
_cell_volume 192.11871
_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 0.01076 0.81000 0.44338 1.00000
Tl2 Tl 0.56949 0.25310 0.11787 1.00000
Hg1 Hg 0.71470 0.82810 0.83375 1.00000
Hg2 Hg 0.86572 0.23530 0.72756 1.00000
Te1 Te 0.32091 0.36619 0.50680 1.00000
Te2 Te 0.25953 0.69715 0.05450 1.00000
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