Y3(GaAu)4
Alexandria ALEXAlex-ID: agm005693796 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_125_spg71
Y2Ga5Au3 YGaAu2 YGaAu
2023-07-02 00:24:00.629735
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693796).
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 agm005693796
data_agm005693796
_cell_length_a 3.60809
_cell_length_b 4.49521
_cell_length_c 14.35175
_cell_angle_alpha 81.03650
_cell_angle_beta 82.72133
_cell_angle_gamma 90.01767
_cell_volume 228.02908
_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 0.14186 0.64298 0.71526 1.00000
Y2 Y 0.85817 0.35705 0.28474 1.00000
Y3 Y 0.00001 0.00001 0.00001 1.00000
Ga1 Ga 0.59333 0.09504 0.81077 1.00000
Ga2 Ga 0.25933 0.25905 0.48148 1.00000
Ga3 Ga 0.74071 0.74099 0.51849 1.00000
Ga4 Ga 0.40670 0.90498 0.18924 1.00000
Au1 Au 0.55054 0.54993 0.90106 1.00000
Au2 Au 0.44948 0.45009 0.09896 1.00000
Au3 Au 0.31326 0.81254 0.37369 1.00000
Au4 Au 0.68677 0.18750 0.62630 1.00000
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