Y3Ga4Au7
Alexandria ALEXAlex-ID: agm005697313 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
YGaAu2 Ga2Au YAu3
2023-06-29 16:26:11.943076
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697313).
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 agm005697313
data_agm005697313
_cell_length_a 4.39258
_cell_length_b 8.47304
_cell_length_c 8.58876
_cell_angle_alpha 66.76308
_cell_angle_beta 75.18394
_cell_angle_gamma 74.97687
_cell_volume 279.41782
_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 0.31733 0.18885 0.17649 1.00000
Y2 Y 0.68267 0.81115 0.82351 1.00000
Y3 Y 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.67550 0.45345 0.19556 1.00000
Ga2 Ga 0.32450 0.54655 0.80444 1.00000
Ga3 Ga 0.87463 0.90873 0.34202 1.00000
Ga4 Ga 0.12537 0.09127 0.65798 1.00000
Au1 Au 0.31540 0.82559 0.54361 1.00000
Au2 Au 0.49921 0.22947 0.77211 1.00000
Au3 Au 0.85882 0.37861 0.90375 1.00000
Au4 Au 0.68460 0.17441 0.45639 1.00000
Au5 Au 0.14118 0.62139 0.09625 1.00000
Au6 Au 0.00000 0.00000 0.00000 1.00000
Au7 Au 0.50079 0.77053 0.22789 1.00000
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