Hf3(TlTe3)2
Alexandria ALEXAlex-ID: agm005604031 · 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
A2B3C6_239_spg12
Hf4TlTe8 Tl
2023-06-13 00:27:16.771985
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604031).
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 agm005604031
data_agm005604031
_cell_length_a 6.96025
_cell_length_b 6.96453
_cell_length_c 8.92379
_cell_angle_alpha 82.43930
_cell_angle_beta 74.73314
_cell_angle_gamma 60.02037
_cell_volume 361.47843
_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
Hf2 Hf 0.33006 0.33987 1.00000 1.00000
Hf3 Hf 0.66994 0.66013 0.00000 1.00000
Tl1 Tl 0.16566 0.66868 0.50000 1.00000
Tl2 Tl 0.83434 0.33132 0.50000 1.00000
Te1 Te 0.40255 0.66911 0.79471 1.00000
Te2 Te 0.73250 0.00000 0.79783 1.00000
Te3 Te 0.07167 0.33089 0.79471 1.00000
Te4 Te 0.26750 1.00000 0.20217 1.00000
Te5 Te 0.59745 0.33089 0.20529 1.00000
Te6 Te 0.92833 0.66911 0.20529 1.00000
获取直接链接