Hf2ZrAlRu4
Alexandria ALEXAlex-ID: agm044408833 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
Hf3AlRu4 Zr2AlRu3 Hf5AlRu6
2024-12-10 11:53:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044408833).
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 agm044408833
data_agm044408833
_cell_length_a 7.83137
_cell_length_b 7.83137
_cell_length_c 7.83137
_cell_angle_alpha 33.58399
_cell_angle_beta 33.58399
_cell_angle_gamma 33.58399
_cell_volume 130.91052
_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
Hf1 Hf 0.24487 0.24487 0.24487 1.00000
Hf2 Hf 0.75513 0.75513 0.75513 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.50000 0.50000 0.50000 1.00000
Ru1 Ru 0.62370 0.62370 0.62370 1.00000
Ru2 Ru 0.12478 0.12478 0.12478 1.00000
Ru3 Ru 0.87522 0.87522 0.87522 1.00000
Ru4 Ru 0.37630 0.37630 0.37630 1.00000
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