K3Zn7Au2
Alexandria ALEXAlex-ID: agm024598846 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
KZn2Au KZn13 K
2025-05-16 18:09:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024598846).
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 agm024598846
data_agm024598846
_cell_length_a 6.44743
_cell_length_b 6.44743
_cell_length_c 8.94004
_cell_angle_alpha 68.61335
_cell_angle_beta 111.38665
_cell_angle_gamma 119.99675
_cell_volume 291.92840
_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 0.50000 1.00000
K2 K 0.14982 0.85018 0.94970 1.00000
K3 K 0.85018 0.14982 0.05030 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
Zn2 Zn 0.54316 0.86306 0.72458 1.00000
Zn3 Zn 0.54436 0.45564 0.72616 1.00000
Zn4 Zn 0.13694 0.45684 0.72458 1.00000
Zn5 Zn 0.45684 0.13694 0.27542 1.00000
Zn6 Zn 0.86306 0.54316 0.27542 1.00000
Zn7 Zn 0.45564 0.54436 0.27384 1.00000
Au1 Au 0.31391 0.68609 0.43802 1.00000
Au2 Au 0.68609 0.31391 0.56198 1.00000
Get direct link