K2Zn3AgAu12
Alexandria ALEXAlex-ID: agm004501416 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_24_spg166
Zn2Au3 KZn2Au3 KAu5 ZnAg2Au3
2022-06-20 03:25:53.574423
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004501416).
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 agm004501416
data_agm004501416
_cell_length_a 8.57024
_cell_length_b 8.57024
_cell_length_c 8.57024
_cell_angle_alpha 59.80164
_cell_angle_beta 59.80164
_cell_angle_gamma 59.80164
_cell_volume 443.10149
_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 0.62019 0.62019 0.62019 1.00000
K2 K 0.37981 0.37981 0.37981 1.00000
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
Zn2 Zn 0.00000 0.50000 0.00000 1.00000
Zn3 Zn 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.36275 0.36275 0.87750 1.00000
Au2 Au 0.87785 0.87785 0.38341 1.00000
Au3 Au 0.38341 0.87785 0.87785 1.00000
Au4 Au 0.87750 0.36275 0.36275 1.00000
Au5 Au 0.87785 0.38341 0.87785 1.00000
Au6 Au 0.36275 0.87750 0.36275 1.00000
Au7 Au 0.63725 0.63725 0.12250 1.00000
Au8 Au 0.12215 0.12215 0.61659 1.00000
Au9 Au 0.61659 0.12215 0.12215 1.00000
Au10 Au 0.12250 0.63725 0.63725 1.00000
Au11 Au 0.12215 0.61659 0.12215 1.00000
Au12 Au 0.63725 0.12250 0.63725 1.00000
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