Tb3Bi2Se
Alexandria ALEXAlex-ID: agm005646953 · 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
TbBi TbSe
2023-08-24 21:34:33.687352
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646953).
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 agm005646953
data_agm005646953
_cell_length_a 7.57058
_cell_length_b 7.57058
_cell_length_c 13.79329
_cell_angle_alpha 100.53321
_cell_angle_beta 100.53321
_cell_angle_gamma 109.50393
_cell_volume 706.80937
_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 0.16556 0.67595 0.82792 1.00000
Tb2 Tb 0.66236 0.15197 0.82792 1.00000
Tb3 Tb 0.08444 0.07405 0.67208 1.00000
Tb4 Tb 0.58764 0.59803 0.67208 1.00000
Tb5 Tb 0.01562 0.51562 0.50000 1.00000
Tb6 Tb 0.48438 0.98438 0.50000 1.00000
Tb7 Tb 0.40197 0.41236 0.32792 1.00000
Tb8 Tb 0.92595 0.91556 0.32792 1.00000
Tb9 Tb 0.84803 0.33764 0.17208 1.00000
Tb10 Tb 0.32405 0.83444 0.17208 1.00000
Tb11 Tb 0.23438 0.23438 0.00000 1.00000
Tb12 Tb 0.76562 0.76562 1.00000 1.00000
Bi1 Bi 0.99834 0.49834 0.99668 1.00000
Bi2 Bi 0.41869 0.41869 0.83738 1.00000
Bi3 Bi 0.83131 0.33131 0.66262 1.00000
Bi4 Bi 0.25166 0.25166 0.50332 1.00000
Bi5 Bi 0.74834 0.74834 0.49668 1.00000
Bi6 Bi 0.66869 0.16869 0.33738 1.00000
Bi7 Bi 0.58131 0.58131 0.16262 1.00000
Bi8 Bi 0.50166 0.00166 0.00332 1.00000
Se1 Se 0.91664 0.91664 0.83328 1.00000
Se2 Se 0.33336 0.83336 0.66672 1.00000
Se3 Se 0.16664 0.66664 0.33328 1.00000
Se4 Se 0.08336 0.08336 0.16672 1.00000
