FeRh
Alexandria ALEXAlex-ID: agm005458291 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_207_spg6
FeRh3 Fe4Rh3
2023-03-20 20:29:01.912709
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005458291).
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 agm005458291
data_agm005458291
_cell_length_a 4.14298
_cell_length_b 2.67014
_cell_length_c 7.18264
_cell_angle_alpha 89.84518
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 79.45662
_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 0.23254 0.00787 1.00000
Fe2 Fe 0.50000 0.25635 0.80974 1.00000
Fe3 Fe 0.50000 0.76638 0.49542 1.00000
Rh1 Rh 0.00000 0.74745 0.69581 1.00000
Rh2 Rh 0.00000 0.25369 0.35419 1.00000
Rh3 Rh 0.50000 0.74360 0.13698 1.00000
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