ZnAg
Alexandria ALEXAlex-ID: agm035894952 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_11382_spg62
ZnAg2 Zn7Ag6
2025-04-15 11:29:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035894952).
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 agm035894952
data_agm035894952
_cell_length_a 4.52791
_cell_length_b 8.57124
_cell_length_c 10.07921
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 391.17178
_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 0.25000 0.08411 0.53972 1.00000
Zn2 Zn 0.75000 0.91589 0.46028 1.00000
Zn3 Zn 0.75000 0.58411 0.96028 1.00000
Zn4 Zn 0.25000 0.41589 0.03972 1.00000
Zn5 Zn 0.25000 0.75276 0.04227 1.00000
Zn6 Zn 0.75000 0.24724 0.95773 1.00000
Zn7 Zn 0.75000 0.25276 0.45773 1.00000
Zn8 Zn 0.25000 0.74724 0.54227 1.00000
Zn9 Zn 0.25000 0.91703 0.78443 1.00000
Zn10 Zn 0.75000 0.08297 0.21557 1.00000
Zn11 Zn 0.75000 0.41703 0.71557 1.00000
Zn12 Zn 0.25000 0.58297 0.28443 1.00000
Ag1 Ag 0.25000 0.41592 0.55283 1.00000
Ag2 Ag 0.75000 0.58408 0.44717 1.00000
Ag3 Ag 0.75000 0.91592 0.94717 1.00000
Ag4 Ag 0.25000 0.08408 0.05283 1.00000
Ag5 Ag 0.25000 0.58583 0.80569 1.00000
Ag6 Ag 0.75000 0.41417 0.19431 1.00000
Ag7 Ag 0.75000 0.08583 0.69431 1.00000
Ag8 Ag 0.25000 0.91417 0.30569 1.00000
Ag9 Ag 0.25000 0.24448 0.80108 1.00000
Ag10 Ag 0.75000 0.75552 0.19892 1.00000
Ag11 Ag 0.75000 0.74448 0.69892 1.00000
Ag12 Ag 0.25000 0.25552 0.30108 1.00000
