FePt5Rh6
Alexandria ALEXAlex-ID: agm006134698 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_50_spg71
Fe(Pt3Rh)2 PtRh6 FePt4Rh
2023-08-26 14:08:21.142686
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006134698).
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}
}
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# CIF generated by HEAS from Alexandria entry agm006134698
data_agm006134698
_cell_length_a 3.89094
_cell_length_b 7.26802
_cell_length_c 7.26802
_cell_angle_alpha 106.69035
_cell_angle_beta 105.51790
_cell_angle_gamma 105.51789
_cell_volume 175.99962
_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
Rh1 Rh 0.24529 0.07998 0.41080 1.00000
Rh2 Rh 0.75471 0.58920 0.92002 1.00000
Rh3 Rh 0.74128 0.24147 0.24147 1.00000
Rh4 Rh 0.25872 0.75853 0.75853 1.00000
Rh5 Rh 0.24529 0.41080 0.07998 1.00000
Rh6 Rh 0.75471 0.92002 0.58920 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.50000 0.16362 0.83638 1.00000
Pt2 Pt 1.00000 0.33686 0.66314 1.00000
Pt3 Pt 0.50000 0.50000 0.50000 1.00000
Pt4 Pt 0.00000 0.66314 0.33686 1.00000
Pt5 Pt 0.50000 0.83638 0.16362 1.00000
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