Tb3Al5Ag6
Alexandria ALEXAlex-ID: agm017408577 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_6_spg59
Tb3Al5Ag6
2025-02-04 06:53:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017408577).
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 agm017408577
data_agm017408577
_cell_length_a 4.48022
_cell_length_b 9.42283
_cell_length_c 13.30164
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 561.54726
_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 0.50000 0.25415 0.19779 1.00000
Tb2 Tb 0.00000 0.74585 0.69779 1.00000
Tb3 Tb 0.00000 0.74585 0.30221 1.00000
Tb4 Tb 0.50000 0.26466 0.50000 1.00000
Tb5 Tb 0.00000 0.73534 0.00000 1.00000
Tb6 Tb 0.50000 0.25415 0.80221 1.00000
Al1 Al 0.50000 0.96707 0.38137 1.00000
Al2 Al 0.50000 0.62524 0.15961 1.00000
Al3 Al 0.50000 0.72458 0.50000 1.00000
Al4 Al 0.00000 0.03293 0.11863 1.00000
Al5 Al 0.00000 0.27542 0.00000 1.00000
Al6 Al 0.50000 0.96707 0.61863 1.00000
Al7 Al 0.00000 0.03293 0.88137 1.00000
Al8 Al 0.50000 0.62524 0.84039 1.00000
Al9 Al 0.00000 0.37476 0.34039 1.00000
Al10 Al 0.00000 0.37476 0.65961 1.00000
Ag1 Ag 0.50000 0.52115 0.35100 1.00000
Ag2 Ag 0.00000 0.47885 0.14900 1.00000
Ag3 Ag 0.00000 0.09796 0.32397 1.00000
Ag4 Ag 0.00000 0.92209 0.50000 1.00000
Ag5 Ag 0.50000 0.07791 0.00000 1.00000
Ag6 Ag 0.50000 0.90204 0.17603 1.00000
Ag7 Ag 0.50000 0.90204 0.82397 1.00000
Ag8 Ag 0.00000 0.54678 0.50000 1.00000
Ag9 Ag 0.50000 0.52115 0.64900 1.00000
Ag10 Ag 0.00000 0.09796 0.67603 1.00000
Ag11 Ag 0.50000 0.45322 0.00000 1.00000
Ag12 Ag 0.00000 0.47885 0.85100 1.00000
