Y3Zn3Ru2
Alexandria ALEXAlex-ID: agm009964045 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_118_spg71
Y2ZnRu YZn2 YRu2
2024-03-21 22:50:28.107849
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009964045).
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 agm009964045
data_agm009964045
_cell_length_a 4.42861
_cell_length_b 5.21383
_cell_length_c 7.78788
_cell_angle_alpha 98.33534
_cell_angle_beta 106.54124
_cell_angle_gamma 90.00102
_cell_volume 170.39799
_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
Y1 Y 0.16043 0.57604 0.32138 1.00000
Y2 Y 0.83957 0.42396 0.67862 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.63193 0.13822 0.26354 1.00000
Zn2 Zn 0.50000 0.50000 0.00000 1.00000
Zn3 Zn 0.36807 0.86178 0.73646 1.00000
Ru1 Ru 0.21753 0.08479 0.43485 1.00000
Ru2 Ru 0.78247 0.91521 0.56515 1.00000
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