Zr2Ru
Alexandria ALEXAlex-ID: agm010201877 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_70_spg71
Zr3Ru2 Zr
2024-06-02 05:59:57.961751
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010201877).
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 agm010201877
data_agm010201877
_cell_length_a 6.03737
_cell_length_b 6.03737
_cell_length_c 7.52513
_cell_angle_alpha 58.31677
_cell_angle_beta 58.31677
_cell_angle_gamma 32.08699
_cell_volume 122.02100
_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 0.59750 0.59750 0.12026 1.00000
Zr2 Zr 0.40250 0.40250 0.87974 1.00000
Zr3 Zr 0.15471 0.15471 0.43896 1.00000
Zr4 Zr 0.84529 0.84529 0.56104 1.00000
Ru1 Ru 0.13777 0.13777 0.80888 1.00000
Ru2 Ru 0.86223 0.86223 0.19112 1.00000
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