Zr6Ru5Rh
Alexandria ALEXAlex-ID: agm033842537 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_89_spg12
ZrRu ZrRh
2025-03-01 00:57:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033842537).
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 agm033842537
data_agm033842537
_cell_length_a 7.34901
_cell_length_b 7.34901
_cell_length_c 6.55319
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.15699
_cell_volume 212.22188
_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 0.66721 0.33279 0.74938 1.00000
Zr2 Zr 0.33279 0.66721 0.74938 1.00000
Zr3 Zr 0.33279 0.66721 0.25062 1.00000
Zr4 Zr 0.00000 0.00000 0.74806 1.00000
Zr5 Zr 0.00000 0.00000 0.25194 1.00000
Zr6 Zr 0.66721 0.33279 0.25062 1.00000
Ru1 Ru 0.16636 0.83364 0.00000 1.00000
Ru2 Ru 0.83364 0.16636 0.00000 1.00000
Ru3 Ru 0.50000 0.50000 0.50000 1.00000
Ru4 Ru 0.16649 0.83351 0.50000 1.00000
Ru5 Ru 0.83351 0.16649 0.50000 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
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