Fe4Ru
Alexandria ALEXAlex-ID: agm005408567 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_261_spg139
Ru Fe
2023-03-17 15:30:17.320228
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005408567).
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 agm005408567
data_agm005408567
_cell_length_a 5.87882
_cell_length_b 5.87882
_cell_length_c 5.87882
_cell_angle_alpha 146.44790
_cell_angle_beta 146.44790
_cell_angle_gamma 48.18196
_cell_volume 61.80742
_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 0.25000 0.75000 0.50000 1.00000
Fe2 Fe 0.59734 0.59734 0.00000 1.00000
Fe3 Fe 0.40266 0.40266 0.00000 1.00000
Fe4 Fe 0.75000 0.25000 0.50000 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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