Y5(FeRu)2
Alexandria ALEXAlex-ID: agm009096959 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_59_spg64
Y5Ru2 Fe
2024-07-09 09:29:32.534219
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009096959).
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 agm009096959
data_agm009096959
_cell_length_a 8.44494
_cell_length_b 8.44494
_cell_length_c 7.20716
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 128.09691
_cell_volume 404.49602
_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
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.00000 0.00000 0.50000 1.00000
Y3 Y 0.32597 0.04752 0.18209 1.00000
Y4 Y 0.95248 0.67403 0.81791 1.00000
Y5 Y 0.45248 0.17403 0.68209 1.00000
Y6 Y 0.82597 0.54752 0.31791 1.00000
Y7 Y 0.67403 0.95248 0.81791 1.00000
Y8 Y 0.04752 0.32597 0.18209 1.00000
Y9 Y 0.54752 0.82597 0.31791 1.00000
Y10 Y 0.17403 0.45248 0.68209 1.00000
Fe1 Fe 0.72139 0.27861 0.00000 1.00000
Fe2 Fe 0.22139 0.77861 0.50000 1.00000
Fe3 Fe 0.27861 0.72139 0.00000 1.00000
Fe4 Fe 0.77861 0.22139 0.50000 1.00000
Ru1 Ru 0.37915 0.37915 0.38198 1.00000
Ru2 Ru 0.62085 0.62085 0.61802 1.00000
Ru3 Ru 0.12085 0.12085 0.88198 1.00000
Ru4 Ru 0.87915 0.87915 0.11802 1.00000
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