KAg2Au
Alexandria ALEXAlex-ID: agm005778644 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_281_spg166
Ag KAu
2023-07-12 03:56:04.089227
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778644).
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
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# CIF generated by HEAS from Alexandria entry agm005778644
data_agm005778644
_cell_length_a 5.83005
_cell_length_b 5.83005
_cell_length_c 10.10591
_cell_angle_alpha 73.23495
_cell_angle_beta 73.23495
_cell_angle_gamma 60.00000
_cell_volume 280.49030
_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 0.85678 0.85678 0.42965 1.00000
K2 K 0.14322 0.14322 0.57035 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.41946 0.41946 0.24309 1.00000
Ag2 Ag 0.91799 0.41946 0.24309 1.00000
Ag3 Ag 0.41946 0.91799 0.24309 1.00000
Ag4 Ag 0.58054 0.58054 0.75691 1.00000
Ag5 Ag 0.58054 0.08201 0.75691 1.00000
Ag6 Ag 0.08201 0.58054 0.75691 1.00000
Au1 Au 0.66758 0.66758 0.99726 1.00000
Au2 Au 0.33242 0.33242 0.00274 1.00000
Au3 Au 0.50000 0.50000 0.50000 1.00000
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