Fe2Co5Rh2
Alexandria ALEXAlex-ID: agm009094080 · 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
A2B2C5_277_spg12
FeCo Co FeRh3
2024-03-04 13:37:48.467538
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009094080).
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
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# CIF generated by HEAS from Alexandria entry agm009094080
data_agm009094080
_cell_length_a 4.45700
_cell_length_b 4.45700
_cell_length_c 7.76008
_cell_angle_alpha 73.32394
_cell_angle_beta 73.32394
_cell_angle_gamma 47.91695
_cell_volume 108.62144
_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 0.33816 0.33816 0.21197 1.00000
Fe2 Fe 0.66184 0.66184 0.78803 1.00000
Co1 Co 0.32573 0.32573 0.89525 1.00000
Co2 Co 0.67427 0.67427 0.10475 1.00000
Co3 Co 0.66914 0.66914 0.44347 1.00000
Co4 Co 0.33086 0.33086 0.55653 1.00000
Co5 Co 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.00262 0.00262 0.32929 1.00000
Rh2 Rh 0.99738 0.99738 0.67071 1.00000
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