Tl(TeS3)2
Alexandria ALEXAlex-ID: agm005669599 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_3302_spg1
Tl2TeS3 Te TlS11
2023-07-09 18:09:28.177182
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669599).
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 agm005669599
data_agm005669599
_cell_length_a 5.35272
_cell_length_b 8.80636
_cell_length_c 8.12498
_cell_angle_alpha 115.78820
_cell_angle_beta 78.01185
_cell_angle_gamma 122.71701
_cell_volume 289.95100
_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 0.35540 0.12015 0.10000 1.00000
Te1 Te 0.40354 0.36180 0.72887 1.00000
Te2 Te 0.50860 0.61408 0.25260 1.00000
S1 S 0.89208 0.85206 0.51033 1.00000
S2 S 0.92809 0.60241 0.98817 1.00000
S3 S 0.78812 0.33505 0.45130 1.00000
S4 S 0.00282 0.39238 0.98211 1.00000
S5 S 0.00886 0.10593 0.47516 1.00000
S6 S 0.11249 0.61614 0.51140 1.00000
获取直接链接