Zr3AlRu4
Alexandria ALEXAlex-ID: agm016655554 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_344_spg139
Zr5AlRu6 Zr2AlRu3
2024-12-02 19:58:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016655554).
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 agm016655554
data_agm016655554
_cell_length_a 7.17964
_cell_length_b 7.17964
_cell_length_c 7.17964
_cell_angle_alpha 143.02617
_cell_angle_beta 143.02617
_cell_angle_gamma 53.28604
_cell_volume 133.03839
_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
Zr1 Zr 0.50000 0.50000 0.00000 1.00000
Zr2 Zr 0.24474 0.24474 0.00000 1.00000
Zr3 Zr 0.75526 0.75526 0.00000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.37685 0.87685 0.50000 1.00000
Ru2 Ru 0.62315 0.12315 0.50000 1.00000
Ru3 Ru 0.12315 0.62315 0.50000 1.00000
Ru4 Ru 0.87685 0.37685 0.50000 1.00000
Get direct link