Zn2Ru3
Alexandria ALEXAlex-ID: agm005508348 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_588_spg43
Zn3Ru Ru
2023-03-20 13:51:33.062902
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508348).
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 agm005508348
data_agm005508348
_cell_length_a 7.99067
_cell_length_b 7.05929
_cell_length_c 5.04411
_cell_angle_alpha 80.76760
_cell_angle_beta 60.69151
_cell_angle_gamma 38.54089
_cell_volume 141.04084
_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
Zn1 Zn 0.94190 0.15805 0.55006 1.00000
Zn2 Zn 0.34998 0.55006 0.15805 1.00000
Zn3 Zn 0.09195 0.30810 0.90002 1.00000
Zn4 Zn 0.69994 0.90002 0.30810 1.00000
Ru1 Ru 0.49188 0.70129 0.49562 1.00000
Ru2 Ru 0.31121 0.49562 0.70129 1.00000
Ru3 Ru 0.54871 0.75812 0.93879 1.00000
Ru4 Ru 0.75438 0.93879 0.75812 1.00000
Ru5 Ru 0.90503 0.09497 0.09497 1.00000
Ru6 Ru 0.15503 0.34497 0.34497 1.00000
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