ZnAgHRu2
Alexandria ALEXAlex-ID: agm007263471 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_122_spg63
Zn3Ru Zn2H4Ru Ru Ag
2024-07-02 11:40:04.649176
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007263471).
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 agm007263471
data_agm007263471
_cell_length_a 4.47146
_cell_length_b 4.47146
_cell_length_c 7.51208
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.19999
_cell_volume 131.10951
_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 0.59830 0.40170 0.75000 1.00000
Zn2 Zn 0.40170 0.59830 0.25000 1.00000
Ag1 Ag 0.93921 0.06079 0.75000 1.00000
Ag2 Ag 0.06079 0.93921 0.25000 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
H2 H 0.50000 0.50000 0.50000 1.00000
Ru1 Ru 0.27603 0.72397 0.92602 1.00000
Ru2 Ru 0.72397 0.27603 0.07398 1.00000
Ru3 Ru 0.27603 0.72397 0.57398 1.00000
Ru4 Ru 0.72397 0.27603 0.42602 1.00000
Get direct link