Y3(AsAu)4
Alexandria ALEXAlex-ID: agm009851744 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_74_spg12
As2Au YAs Au
2024-03-22 08:27:36.068895
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009851744).
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 agm009851744
data_agm009851744
_cell_length_a 4.01528
_cell_length_b 4.22383
_cell_length_c 14.99339
_cell_angle_alpha 85.21577
_cell_angle_beta 96.07344
_cell_angle_gamma 89.61053
_cell_volume 251.94616
_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 0.81781 0.37115 0.67135 1.00000
Y2 Y 0.18219 0.62885 0.32865 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
As1 As 0.31317 0.86699 0.67029 1.00000
As2 As 0.55454 0.54166 0.91813 1.00000
As3 As 0.44546 0.45834 0.08187 1.00000
As4 As 0.68683 0.13301 0.32971 1.00000
Au1 Au 0.25749 0.25861 0.51734 1.00000
Au2 Au 0.62253 0.91268 0.17481 1.00000
Au3 Au 0.37747 0.08732 0.82519 1.00000
Au4 Au 0.74251 0.74139 0.48266 1.00000
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