BeNb4Si
Alexandria ALEXAlex-ID: agm015789132 · 空间群: I422 (#97)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_18_spg82
BeNb4Si
2025-02-26 17:20:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015789132).
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 agm015789132
data_agm015789132
_cell_length_a 5.02440
_cell_length_b 5.02440
_cell_length_c 5.02440
_cell_angle_alpha 104.39969
_cell_angle_beta 104.39969
_cell_angle_gamma 120.17421
_cell_volume 95.04524
_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
Be1 Be 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.08934 0.58934 0.17869 1.00000
Nb2 Nb 0.41066 0.91066 0.82131 1.00000
Nb3 Nb 0.58934 0.41066 0.50000 1.00000
Nb4 Nb 0.91066 0.08934 0.50000 1.00000
Si1 Si 0.50000 0.50000 0.00000 1.00000
获取直接链接