Zr4OsRu3
Alexandria ALEXAlex-ID: agm063678820 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_344_spg139
Zr4OsRu3
2024-11-09 09:04:32.412971
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063678820).
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 agm063678820
data_agm063678820
_cell_length_a 7.33157
_cell_length_b 7.33157
_cell_length_c 7.33157
_cell_angle_alpha 143.12970
_cell_angle_beta 143.12970
_cell_angle_gamma 53.13071
_cell_volume 140.99483
_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 0.87482 0.37482 0.50000 1.00000
Zr2 Zr 0.12518 0.62518 0.50000 1.00000
Zr3 Zr 0.62518 0.12518 0.50000 1.00000
Zr4 Zr 0.37482 0.87482 0.50000 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
Ru2 Ru 0.25026 0.25026 0.00000 1.00000
Ru3 Ru 0.74974 0.74974 0.00000 1.00000
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