Fe6Co2Ni5
Alexandria ALEXAlex-ID: agm005656099 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_66_spg55
Fe2Co FeNi3 FeNi
2023-06-21 16:52:10.963240
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656099).
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 agm005656099
data_agm005656099
_cell_length_a 2.48129
_cell_length_b 8.36490
_cell_length_c 14.52971
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 301.57487
_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
Fe1 Fe 0.00000 0.08019 0.36563 1.00000
Fe2 Fe 0.00000 0.91981 0.63437 1.00000
Fe3 Fe 0.00000 0.58019 0.13437 1.00000
Fe4 Fe 0.00000 0.41981 0.86563 1.00000
Fe5 Fe 0.50000 0.30867 0.12300 1.00000
Fe6 Fe 0.50000 0.69133 0.87700 1.00000
Fe7 Fe 0.50000 0.80867 0.37700 1.00000
Fe8 Fe 0.50000 0.19133 0.62300 1.00000
Fe9 Fe 0.00000 0.54507 0.42013 1.00000
Fe10 Fe 0.00000 0.45493 0.57987 1.00000
Fe11 Fe 0.00000 0.04507 0.07987 1.00000
Fe12 Fe 0.00000 0.95493 0.92013 1.00000
Co1 Co 0.00000 0.33223 0.28684 1.00000
Co2 Co 0.00000 0.66777 0.71316 1.00000
Co3 Co 0.00000 0.83223 0.21316 1.00000
Co4 Co 0.00000 0.16777 0.78684 1.00000
Ni1 Ni 0.50000 0.29169 0.45372 1.00000
Ni2 Ni 0.50000 0.70831 0.54628 1.00000
Ni3 Ni 0.50000 0.79169 0.04628 1.00000
Ni4 Ni 0.50000 0.20831 0.95372 1.00000
Ni5 Ni 0.50000 0.58465 0.27485 1.00000
Ni6 Ni 0.50000 0.41535 0.72515 1.00000
Ni7 Ni 0.50000 0.08465 0.22515 1.00000
Ni8 Ni 0.50000 0.91535 0.77485 1.00000
Ni9 Ni 0.50000 0.50000 0.00000 1.00000
Ni10 Ni 0.50000 0.00000 0.50000 1.00000
