Pr3Fe2Re7
Alexandria ALEXAlex-ID: agm024452697 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_69_spg12
Fe7Re6 Pr Re
2025-05-16 04:09:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024452697).
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 agm024452697
data_agm024452697
_cell_length_a 9.35586
_cell_length_b 9.35586
_cell_length_c 9.35586
_cell_angle_alpha 33.55890
_cell_angle_beta 33.55890
_cell_angle_gamma 33.55890
_cell_volume 222.90585
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.14385 0.14385 0.14385 1.00000
Pr3 Pr 0.85615 0.85615 0.85615 1.00000
Fe1 Fe 0.33520 0.33520 0.33520 1.00000
Fe2 Fe 0.66480 0.66480 0.66480 1.00000
Re1 Re 0.50000 0.50000 0.50000 1.00000
Re2 Re 0.07529 0.58204 0.58204 1.00000
Re3 Re 0.58204 0.58204 0.07529 1.00000
Re4 Re 0.58204 0.07529 0.58204 1.00000
Re5 Re 0.92471 0.41796 0.41796 1.00000
Re6 Re 0.41796 0.92471 0.41796 1.00000
Re7 Re 0.41796 0.41796 0.92471 1.00000
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