K3NaAu3
Alexandria ALEXAlex-ID: agm003545253 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_288_spg12
Na2Au K5Au3 KAu
2022-04-03 03:55:00.729862
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545253).
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 agm003545253
data_agm003545253
_cell_length_a 8.01466
_cell_length_b 8.01466
_cell_length_c 7.83560
_cell_angle_alpha 89.13187
_cell_angle_beta 89.13187
_cell_angle_gamma 93.81725
_cell_volume 502.07783
_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 0.68287 0.68287 0.39610 1.00000
K2 K 0.16974 0.83026 0.50000 1.00000
K3 K 0.83026 0.16974 0.50000 1.00000
K4 K 0.25870 0.74130 0.00000 1.00000
K5 K 0.74130 0.25870 0.00000 1.00000
K6 K 0.31713 0.31713 0.60390 1.00000
Na1 Na 0.77658 0.77658 0.87383 1.00000
Na2 Na 0.22342 0.22342 0.12617 1.00000
Au1 Au 0.94681 0.94681 0.17189 1.00000
Au2 Au 0.95562 0.51636 0.68629 1.00000
Au3 Au 0.51636 0.95562 0.68629 1.00000
Au4 Au 0.04438 0.48364 0.31371 1.00000
Au5 Au 0.48364 0.04438 0.31371 1.00000
Au6 Au 0.05319 0.05319 0.82811 1.00000
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