Be2Fe
Alexandria ALEXAlex-ID: agm005463322 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_4_spg12
Be2Fe
2023-03-18 06:57:37.630353
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005463322).
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 agm005463322
data_agm005463322
_cell_length_a 4.22937
_cell_length_b 4.22937
_cell_length_c 5.02965
_cell_angle_alpha 72.99909
_cell_angle_beta 72.99909
_cell_angle_gamma 37.01781
_cell_volume 51.52746
_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 0.33354 0.33354 0.83488 1.00000
Be2 Be 0.66646 0.66646 0.16512 1.00000
Be3 Be 0.00000 0.00000 0.50000 1.00000
Be4 Be 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.34034 0.34034 0.32330 1.00000
Fe2 Fe 0.65966 0.65966 0.67670 1.00000
获取直接链接