Fe3Re2
Alexandria ALEXAlex-ID: agm005506669 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_55_spg43
Fe7Re6 Fe
2023-03-20 05:59:07.623337
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506669).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005506669
data_agm005506669
_cell_length_a 7.58050
_cell_length_b 6.59274
_cell_length_c 4.93228
_cell_angle_alpha 80.86255
_cell_angle_beta 59.16662
_cell_angle_gamma 39.97083
_cell_volume 123.12809
_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 0.45101 0.35198 0.45373 1.00000
Fe2 Fe 0.74328 0.45373 0.35198 1.00000
Fe3 Fe 0.89802 0.79899 0.50672 1.00000
Fe4 Fe 0.79627 0.50672 0.79899 1.00000
Fe5 Fe 0.05984 0.94016 0.94016 1.00000
Fe6 Fe 0.30984 0.19016 0.19016 1.00000
Re1 Re 0.53655 0.35955 0.89458 1.00000
Re2 Re 0.20932 0.89458 0.35955 1.00000
Re3 Re 0.89045 0.71345 0.04068 1.00000
Re4 Re 0.35542 0.04068 0.71345 1.00000
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