Fe9Ir4Rh11
Alexandria ALEXAlex-ID: agm005736282 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B9C11_9_spg65
Fe2(IrRh)3 Fe4Rh3 Fe2IrRh5
2023-07-10 21:56:41.139170
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005736282).
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 agm005736282
data_agm005736282
_cell_length_a 2.70921
_cell_length_b 11.04424
_cell_length_c 11.04424
_cell_angle_alpha 94.42712
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 329.47093
_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 0.50005 0.61680 0.13757 1.00000
Fe2 Fe 0.50005 0.38320 0.86243 1.00000
Fe3 Fe 0.50005 0.13757 0.61680 1.00000
Fe4 Fe 0.50005 0.86243 0.38320 1.00000
Fe5 Fe 0.50007 0.79580 0.97573 1.00000
Fe6 Fe 0.50007 0.20420 0.02427 1.00000
Fe7 Fe 0.50007 0.97573 0.79580 1.00000
Fe8 Fe 0.50007 0.02427 0.20420 1.00000
Fe9 Fe 0.49872 0.50000 0.50000 1.00000
Ir1 Ir 0.50009 0.55915 0.72247 1.00000
Ir2 Ir 0.50009 0.44085 0.27753 1.00000
Ir3 Ir 0.50009 0.72247 0.55915 1.00000
Ir4 Ir 0.50009 0.27753 0.44085 1.00000
Rh1 Rh 0.00010 0.59077 0.93000 1.00000
Rh2 Rh 0.00010 0.40923 0.07000 1.00000
Rh3 Rh 0.00010 0.93000 0.59077 1.00000
Rh4 Rh 0.00010 0.07000 0.40923 1.00000
Rh5 Rh 0.99990 0.64827 0.35173 1.00000
Rh6 Rh 0.99990 0.35173 0.64827 1.00000
Rh7 Rh 0.00004 0.82118 0.17882 1.00000
Rh8 Rh 0.00004 0.17882 0.82118 1.00000
Rh9 Rh 0.00006 0.00000 0.00000 1.00000
Rh10 Rh 0.00006 0.76944 0.76944 1.00000
Rh11 Rh 0.00006 0.23056 0.23056 1.00000
