Tb3GeTe2
Alexandria ALEXAlex-ID: agm034693003 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
Tb3GeTe2
2024-12-05 05:36:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034693003).
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 agm034693003
data_agm034693003
_cell_length_a 14.29290
_cell_length_b 13.62771
_cell_length_c 7.49624
_cell_angle_alpha 79.38936
_cell_angle_beta 69.57944
_cell_angle_gamma 31.03120
_cell_volume 685.17402
_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
Tb1 Tb 0.66133 0.16254 0.86322 1.00000
Tb2 Tb 0.16254 0.66133 0.31291 1.00000
Tb3 Tb 0.58867 0.08746 0.38678 1.00000
Tb4 Tb 0.08746 0.58867 0.93709 1.00000
Tb5 Tb 0.47331 0.02669 0.02669 1.00000
Tb6 Tb 0.02669 0.47331 0.47331 1.00000
Tb7 Tb 0.93709 0.38678 0.08746 1.00000
Tb8 Tb 0.38678 0.93709 0.58867 1.00000
Tb9 Tb 0.31291 0.86322 0.16254 1.00000
Tb10 Tb 0.86322 0.31291 0.66133 1.00000
Tb11 Tb 0.77669 0.22331 0.22331 1.00000
Tb12 Tb 0.22331 0.77669 0.77669 1.00000
Ge1 Ge 0.91651 0.91651 0.08349 1.00000
Ge2 Ge 0.33349 0.33349 0.16651 1.00000
Ge3 Ge 0.16651 0.16651 0.33349 1.00000
Ge4 Ge 0.08349 0.08349 0.91651 1.00000
Te1 Te 0.99691 0.99691 0.50309 1.00000
Te2 Te 0.41948 0.41948 0.58052 1.00000
Te3 Te 0.83052 0.83052 0.66948 1.00000
Te4 Te 0.25309 0.25309 0.74691 1.00000
Te5 Te 0.74691 0.74691 0.25309 1.00000
Te6 Te 0.66948 0.66948 0.83052 1.00000
Te7 Te 0.58052 0.58052 0.41948 1.00000
Te8 Te 0.50309 0.50309 0.99691 1.00000
