LaTbSi
Alexandria ALEXAlex-ID: agm005682914 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_11_spg189
La2TbSi2 Tb5Si3 La
2023-06-18 10:54:34.652223
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682914).
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 agm005682914
data_agm005682914
_cell_length_a 4.40136
_cell_length_b 8.03103
_cell_length_c 8.03104
_cell_angle_alpha 119.99995
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 245.84473
_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
La1 La 0.50000 0.40800 0.40799 1.00000
La2 La 0.50000 0.00000 0.59201 1.00000
La3 La 0.50000 0.59199 1.00000 1.00000
Tb1 Tb 0.00000 0.74215 0.74216 1.00000
Tb2 Tb 0.00000 0.99999 0.25784 1.00000
Tb3 Tb 0.00000 0.25784 0.00000 1.00000
Si1 Si 0.00000 0.33333 0.66666 1.00000
Si2 Si 0.00000 0.66667 0.33334 1.00000
Si3 Si 0.50000 0.00000 0.00000 1.00000
