Y3(Ag2Au)2
Alexandria ALEXAlex-ID: agm005686166 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_422_spg15
YAgAu YAg2
2023-06-29 06:28:59.893755
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686166).
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 agm005686166
data_agm005686166
_cell_length_a 5.30244
_cell_length_b 8.87623
_cell_length_c 8.87623
_cell_angle_alpha 76.11521
_cell_angle_beta 81.37868
_cell_angle_gamma 81.37866
_cell_volume 398.14149
_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
Y1 Y 0.07408 0.95932 0.70330 1.00000
Y2 Y 0.42592 0.29670 0.04068 1.00000
Y3 Y 0.92592 0.04068 0.29670 1.00000
Y4 Y 0.57408 0.70330 0.95932 1.00000
Y5 Y 0.25000 0.38097 0.61903 1.00000
Y6 Y 0.75000 0.61903 0.38097 1.00000
Ag1 Ag 0.51687 0.06484 0.82153 1.00000
Ag2 Ag 0.98313 0.17847 0.93516 1.00000
Ag3 Ag 0.48313 0.93516 0.17847 1.00000
Ag4 Ag 0.01687 0.82153 0.06484 1.00000
Ag5 Ag 0.62758 0.84776 0.59826 1.00000
Ag6 Ag 0.87242 0.40174 0.15224 1.00000
Ag7 Ag 0.37242 0.15224 0.40174 1.00000
Ag8 Ag 0.12758 0.59826 0.84776 1.00000
Au1 Au 0.18524 0.74120 0.48235 1.00000
Au2 Au 0.31476 0.51765 0.25880 1.00000
Au3 Au 0.81476 0.25880 0.51765 1.00000
Au4 Au 0.68524 0.48235 0.74120 1.00000
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