FeRe
Alexandria ALEXAlex-ID: agm004444259 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_2183_spg70
Fe7Re6 Re
2022-05-30 05:22:53.536189
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004444259).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004444259
data_agm004444259
_cell_length_a 6.67561
_cell_length_b 7.35747
_cell_length_c 9.09691
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 446.80035
_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 0.16623 0.00000 0.00000 1.00000
Fe2 Fe 0.83377 0.00000 0.00000 1.00000
Fe3 Fe 0.08377 0.75000 0.25000 1.00000
Fe4 Fe 0.41623 0.75000 0.25000 1.00000
Fe5 Fe 0.16623 0.50000 0.50000 1.00000
Fe6 Fe 0.83377 0.50000 0.50000 1.00000
Fe7 Fe 0.08377 0.25000 0.75000 1.00000
Fe8 Fe 0.41623 0.25000 0.75000 1.00000
Fe9 Fe 0.66623 0.00000 0.50000 1.00000
Fe10 Fe 0.33377 0.00000 0.50000 1.00000
Fe11 Fe 0.58377 0.75000 0.75000 1.00000
Fe12 Fe 0.91623 0.75000 0.75000 1.00000
Fe13 Fe 0.66623 0.50000 0.00000 1.00000
Fe14 Fe 0.33377 0.50000 0.00000 1.00000
Fe15 Fe 0.58377 0.25000 0.25000 1.00000
Fe16 Fe 0.91623 0.25000 0.25000 1.00000
Re1 Re 0.00000 0.67665 0.00000 1.00000
Re2 Re 0.00000 0.32335 0.00000 1.00000
Re3 Re 0.25000 0.07335 0.25000 1.00000
Re4 Re 0.25000 0.42665 0.25000 1.00000
Re5 Re 0.00000 0.17665 0.50000 1.00000
Re6 Re 0.00000 0.82335 0.50000 1.00000
Re7 Re 0.25000 0.57335 0.75000 1.00000
Re8 Re 0.25000 0.92665 0.75000 1.00000
Re9 Re 0.50000 0.67665 0.50000 1.00000
Re10 Re 0.50000 0.32335 0.50000 1.00000
Re11 Re 0.75000 0.07335 0.75000 1.00000
Re12 Re 0.75000 0.42665 0.75000 1.00000
Re13 Re 0.50000 0.17665 0.00000 1.00000
Re14 Re 0.50000 0.82335 0.00000 1.00000
Re15 Re 0.75000 0.57335 0.25000 1.00000
Re16 Re 0.75000 0.92665 0.25000 1.00000
