KZn2Ga4Ag
Alexandria ALEXAlex-ID: agm004798543 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
KZn13 K3Ga13 Zn7Ag6 KGa3
2022-07-16 17:08:02.136871
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004798543).
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 agm004798543
data_agm004798543
_cell_length_a 4.43223
_cell_length_b 4.43223
_cell_length_c 10.65343
_cell_angle_alpha 77.99370
_cell_angle_beta 77.99370
_cell_angle_gamma 60.00000
_cell_volume 175.93857
_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
K1 K 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.76186 0.76186 0.71442 1.00000
Zn2 Zn 0.23814 0.23814 0.28558 1.00000
Ga1 Ga 0.40975 0.40975 0.77074 1.00000
Ga2 Ga 0.87356 0.87356 0.37931 1.00000
Ga3 Ga 0.12644 0.12644 0.62069 1.00000
Ga4 Ga 0.59025 0.59025 0.22926 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Get direct link