Tl3Hg7Te
Alexandria ALEXAlex-ID: agm005997880 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C7_396_spg15
Tl4Hg3 Hg Tl2Te
2023-08-14 08:51:38.646375
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997880).
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 agm005997880
data_agm005997880
_cell_length_a 3.34229
_cell_length_b 12.22077
_cell_length_c 16.87462
_cell_angle_alpha 88.91635
_cell_angle_beta 97.95037
_cell_angle_gamma 97.85960
_cell_volume 676.21156
_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 0.89129 0.12899 0.55701 1.00000
Tl2 Tl 0.10871 0.87101 0.44299 1.00000
Tl3 Tl 0.20379 0.40758 0.75000 1.00000
Tl4 Tl 0.79621 0.59242 0.25000 1.00000
Tl5 Tl 0.23769 0.12899 0.94299 1.00000
Tl6 Tl 0.76231 0.87101 0.05701 1.00000
Hg1 Hg 0.35613 0.71225 0.75000 1.00000
Hg2 Hg 0.64387 0.28775 0.25000 1.00000
Hg3 Hg 0.18291 0.11930 0.36589 1.00000
Hg4 Hg 0.81709 0.88070 0.63411 1.00000
Hg5 Hg 0.06361 0.88070 0.86589 1.00000
Hg6 Hg 0.93639 0.11930 0.13411 1.00000
Hg7 Hg 0.47971 0.63280 0.42168 1.00000
Hg8 Hg 0.52029 0.36720 0.57832 1.00000
Hg9 Hg 0.91622 0.39141 0.41494 1.00000
Hg10 Hg 0.08378 0.60859 0.58506 1.00000
Hg11 Hg 0.52481 0.60859 0.91494 1.00000
Hg12 Hg 0.47519 0.39141 0.08506 1.00000
Hg13 Hg 0.15309 0.63280 0.07832 1.00000
Hg14 Hg 0.84691 0.36720 0.92168 1.00000
Te1 Te 0.92884 0.85767 0.25000 1.00000
Te2 Te 0.07116 0.14233 0.75000 1.00000
