Fe(RuRh3)2
Alexandria ALEXAlex-ID: agm005672736 · 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
AB2C6_1747_spg12
FeRh7 Ru FeRh3
2023-07-07 02:03:50.056422
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672736).
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 agm005672736
data_agm005672736
_cell_length_a 4.63200
_cell_length_b 4.72098
_cell_length_c 7.14864
_cell_angle_alpha 70.71912
_cell_angle_beta 80.54445
_cell_angle_gamma 60.16343
_cell_volume 127.99672
_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 0.00000 0.50000 1.00000
Ru1 Ru 0.50000 0.82889 0.84222 1.00000
Ru2 Ru 0.50000 0.17111 0.15778 1.00000
Rh1 Rh 0.15919 0.83514 0.17161 1.00000
Rh2 Rh 0.84081 0.49325 0.17161 1.00000
Rh3 Rh 0.84081 0.16486 0.82839 1.00000
Rh4 Rh 0.15919 0.50675 0.82839 1.00000
Rh5 Rh 0.34836 0.31179 0.50000 1.00000
Rh6 Rh 0.65164 0.68821 0.50000 1.00000
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