Tl12GeTe7
Alexandria ALEXAlex-ID: agm005773735 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_46_spg148
Tl3GeTe3 Ge Tl2Te
2023-07-15 23:22:31.503073
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773735).
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 agm005773735
data_agm005773735
_cell_length_a 12.18192
_cell_length_b 9.61113
_cell_length_c 9.61113
_cell_angle_alpha 103.42952
_cell_angle_beta 114.99210
_cell_angle_gamma 114.99210
_cell_volume 800.57592
_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 0.17188 0.50817 0.26112 1.00000
Tl2 Tl 0.08924 0.26112 0.75295 1.00000
Tl3 Tl 0.64178 0.80003 0.12369 1.00000
Tl4 Tl 0.48191 0.12369 0.32367 1.00000
Tl5 Tl 0.33629 0.24705 0.50817 1.00000
Tl6 Tl 0.15824 0.67633 0.80003 1.00000
Tl7 Tl 0.84176 0.32367 0.19997 1.00000
Tl8 Tl 0.66371 0.75295 0.49183 1.00000
Tl9 Tl 0.51809 0.87631 0.67633 1.00000
Tl10 Tl 0.35822 0.19997 0.87631 1.00000
Tl11 Tl 0.91076 0.73888 0.24705 1.00000
Tl12 Tl 0.82812 0.49183 0.73888 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.13806 0.80823 0.13936 1.00000
Te2 Te 0.00131 0.13936 0.33113 1.00000
Te3 Te 0.67017 0.66887 0.80823 1.00000
Te4 Te 0.50000 0.00000 0.00000 1.00000
Te5 Te 0.32983 0.33113 0.19177 1.00000
Te6 Te 0.99869 0.86064 0.66887 1.00000
Te7 Te 0.86194 0.19177 0.86064 1.00000
