Al4FeRh3
Alexandria ALEXAlex-ID: agm017116885 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_9_spg5
Al4FeRh3
2025-06-30 17:28:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017116885).
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 agm017116885
data_agm017116885
_cell_length_a 7.27520
_cell_length_b 7.27520
_cell_length_c 7.27520
_cell_angle_alpha 33.53362
_cell_angle_beta 33.53362
_cell_angle_gamma 33.53362
_cell_volume 104.66696
_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
Al1 Al 0.62748 0.62748 0.62748 1.00000
Al2 Al 0.12210 0.12210 0.12210 1.00000
Al3 Al 0.87790 0.87790 0.87790 1.00000
Al4 Al 0.37252 0.37252 0.37252 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.24988 0.24988 0.24988 1.00000
Rh2 Rh 0.75012 0.75012 0.75012 1.00000
Rh3 Rh 0.50000 0.50000 0.50000 1.00000
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