Y3Ga8Au3
Alexandria ALEXAlex-ID: agm005680097 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
Y4Ga12Au YGa2Au Y2Ga5Au3
2023-06-29 09:54:05.287801
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005680097).
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 agm005680097
data_agm005680097
_cell_length_a 4.36242
_cell_length_b 8.39003
_cell_length_c 8.24288
_cell_angle_alpha 73.71236
_cell_angle_beta 74.65575
_cell_angle_gamma 74.93132
_cell_volume 273.58390
_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 0.30785 0.68090 0.70340 1.00000
Y2 Y 0.69215 0.31910 0.29660 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.14813 0.12495 0.57878 1.00000
Ga2 Ga 0.85187 0.87505 0.42122 1.00000
Ga3 Ga 0.85797 0.42348 0.86059 1.00000
Ga4 Ga 0.14203 0.57652 0.13941 1.00000
Ga5 Ga 0.49002 0.70209 0.31787 1.00000
Ga6 Ga 0.50998 0.29791 0.68213 1.00000
Ga7 Ga 0.34044 0.04188 0.27724 1.00000
Ga8 Ga 0.65956 0.95812 0.72276 1.00000
Au1 Au 0.00000 0.50000 0.50000 1.00000
Au2 Au 0.65249 0.70842 0.98660 1.00000
Au3 Au 0.34751 0.29158 0.01340 1.00000
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