NaZnAg2
Alexandria ALEXAlex-ID: agm005703552 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7187_spg166
Na(ZnAg)6 Na2ZnAg3 NaAg2
2023-07-12 07:22:20.056009
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703552).
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 agm005703552
data_agm005703552
_cell_length_a 5.75459
_cell_length_b 5.75459
_cell_length_c 9.15331
_cell_angle_alpha 71.67870
_cell_angle_beta 71.67871
_cell_angle_gamma 60.00001
_cell_volume 244.60239
_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
Na1 Na 0.85940 0.85940 0.42181 1.00000
Na2 Na 0.14060 0.14060 0.57819 1.00000
Na3 Na 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.66715 0.66715 0.99856 1.00000
Zn2 Zn 0.33285 0.33285 0.00144 1.00000
Zn3 Zn 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.41621 0.41621 0.24832 1.00000
Ag2 Ag 0.91927 0.41621 0.24832 1.00000
Ag3 Ag 0.41621 0.91927 0.24832 1.00000
Ag4 Ag 0.58379 0.58379 0.75168 1.00000
Ag5 Ag 0.58379 0.08073 0.75168 1.00000
Ag6 Ag 0.08073 0.58379 0.75168 1.00000
Get direct link