Fe4NiIr5
Alexandria ALEXAlex-ID: agm006116593 · 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
AB4C5_152_spg12
Fe3Ir8 FeNi3 FeIr
2023-10-11 00:49:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116593).
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 agm006116593
data_agm006116593
_cell_length_a 2.69452
_cell_length_b 5.91377
_cell_length_c 9.44104
_cell_angle_alpha 110.20723
_cell_angle_beta 81.79575
_cell_angle_gamma 76.83138
_cell_volume 133.37255
_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 0.60227 0.19703 0.59842 1.00000
Fe2 Fe 0.20101 0.39969 0.19828 1.00000
Fe3 Fe 0.79898 0.60031 0.80172 1.00000
Fe4 Fe 0.39773 0.80297 0.40158 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.19944 0.90054 0.70058 1.00000
Ir2 Ir 0.80056 0.09946 0.29942 1.00000
Ir3 Ir 0.40149 0.29912 0.89789 1.00000
Ir4 Ir 0.00000 0.50000 0.50000 1.00000
Ir5 Ir 0.59851 0.70088 0.10211 1.00000
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