Al5Fe3N8
Alexandria ALEXAlex-ID: agm009602149 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C8_29_spg166
FeN AlN
2024-05-30 13:42:41.290048
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009602149).
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 agm009602149
data_agm009602149
_cell_length_a 5.73414
_cell_length_b 5.73414
_cell_length_c 5.73414
_cell_angle_alpha 59.78566
_cell_angle_beta 59.78566
_cell_angle_gamma 59.78566
_cell_volume 132.66987
_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
Al1 Al 0.50000 0.00000 0.50000 1.00000
Al2 Al 0.00000 0.50000 0.50000 1.00000
Al3 Al 0.00000 0.00000 0.00000 1.00000
Al4 Al 0.50000 0.50000 0.00000 1.00000
Al5 Al 0.50000 0.50000 0.50000 1.00000
Fe1 Fe 0.00000 0.00000 0.50000 1.00000
Fe2 Fe 0.50000 0.00000 0.00000 1.00000
Fe3 Fe 0.00000 0.50000 0.00000 1.00000
N1 N 0.74625 0.24999 0.24999 1.00000
N2 N 0.24999 0.74625 0.24999 1.00000
N3 N 0.24999 0.24999 0.74625 1.00000
N4 N 0.74925 0.74925 0.74925 1.00000
N5 N 0.25375 0.75001 0.75001 1.00000
N6 N 0.75001 0.25375 0.75001 1.00000
N7 N 0.75001 0.75001 0.25375 1.00000
N8 N 0.25075 0.25075 0.25075 1.00000
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