Zn2GaAg6
Alexandria ALEXAlex-ID: agm005644191 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_646_spg15
GaAg3 Ga4Ag3 ZnAg2
2023-07-10 16:52:53.673556
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644191).
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 agm005644191
data_agm005644191
_cell_length_a 4.63837
_cell_length_b 8.55560
_cell_length_c 8.55560
_cell_angle_alpha 67.09151
_cell_angle_beta 83.68321
_cell_angle_gamma 83.68322
_cell_volume 310.00472
_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 0.41677 0.53504 0.80841 1.00000
Zn2 Zn 0.08323 0.19159 0.46496 1.00000
Zn3 Zn 0.58323 0.46496 0.19159 1.00000
Zn4 Zn 0.91677 0.80841 0.53504 1.00000
Ga1 Ga 0.25000 0.14374 0.85626 1.00000
Ga2 Ga 0.75000 0.85626 0.14374 1.00000
Ag1 Ag 0.46679 0.67726 0.45508 1.00000
Ag2 Ag 0.03321 0.54492 0.32274 1.00000
Ag3 Ag 0.53321 0.32274 0.54492 1.00000
Ag4 Ag 0.96679 0.45508 0.67726 1.00000
Ag5 Ag 0.63426 0.11168 0.34436 1.00000
Ag6 Ag 0.86574 0.65564 0.88832 1.00000
Ag7 Ag 0.36574 0.88832 0.65564 1.00000
Ag8 Ag 0.13426 0.34436 0.11168 1.00000
Ag9 Ag 0.30262 0.77878 0.01397 1.00000
Ag10 Ag 0.19738 0.98603 0.22122 1.00000
Ag11 Ag 0.69738 0.22122 0.98603 1.00000
Ag12 Ag 0.80262 0.01397 0.77878 1.00000
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