TaSi2
Alexandria ALEXAlex-ID: agm005463526 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_63_spg8
TaSi2
2023-03-21 22:28:43.219560
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005463526).
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 agm005463526
data_agm005463526
_cell_length_a 5.04167
_cell_length_b 5.04167
_cell_length_c 5.74466
_cell_angle_alpha 84.29615
_cell_angle_beta 84.29615
_cell_angle_gamma 39.23540
_cell_volume 91.84354
_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
Ta1 Ta 0.97054 0.97054 0.59720 1.00000
Ta2 Ta 0.25605 0.25605 0.94084 1.00000
Si1 Si 0.96572 0.96572 0.06483 1.00000
Si2 Si 0.33948 0.33948 0.35118 1.00000
Si3 Si 0.68262 0.68262 0.63621 1.00000
Si4 Si 0.61891 0.61891 0.24307 1.00000
获取直接链接