Y3Al4Au7
Alexandria ALEXAlex-ID: agm005697372 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Y2(AlAu3)3 Y(AlAu)2 YAu2
2023-06-29 15:52:32.065069
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697372).
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 agm005697372
data_agm005697372
_cell_length_a 4.37562
_cell_length_b 8.49024
_cell_length_c 8.49718
_cell_angle_alpha 67.65947
_cell_angle_beta 75.07973
_cell_angle_gamma 75.06725
_cell_volume 277.58568
_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 0.31870 0.18686 0.17575 1.00000
Y2 Y 0.68130 0.81314 0.82425 1.00000
Y3 Y 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.67500 0.46239 0.18761 1.00000
Al2 Al 0.32500 0.53761 0.81239 1.00000
Al3 Al 0.87214 0.90622 0.34951 1.00000
Al4 Al 0.12786 0.09378 0.65049 1.00000
Au1 Au 0.31472 0.81567 0.55488 1.00000
Au2 Au 0.50253 0.22521 0.76973 1.00000
Au3 Au 0.86073 0.37623 0.90232 1.00000
Au4 Au 0.68528 0.18433 0.44512 1.00000
Au5 Au 0.13927 0.62377 0.09768 1.00000
Au6 Au 0.00000 0.00000 0.00000 1.00000
Au7 Au 0.49747 0.77479 0.23027 1.00000
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