Ta2NbSi
Alexandria ALEXAlex-ID: agm002891908 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_185_spg122
Ta3Si Nb5Si3 Ta
2016-12-17 16:45:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002891908).
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 agm002891908
data_agm002891908
_cell_length_a 7.60307
_cell_length_b 7.60307
_cell_length_c 5.96224
_cell_angle_alpha 50.38678
_cell_angle_beta 50.38678
_cell_angle_gamma 90.00000
_cell_volume 149.01309
_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
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Nb2 Nb 0.75000 0.25000 0.50000 1.00000
Si1 Si 0.50000 0.50000 0.00000 1.00000
Si2 Si 0.25000 0.75000 0.50000 1.00000
Ta1 Ta 0.57765 0.12500 0.25000 1.00000
Ta2 Ta 0.17235 0.62500 0.25000 1.00000
Ta3 Ta 0.37500 0.42235 0.75000 1.00000
Ta4 Ta 0.87500 0.82765 0.75000 1.00000
