Mg(GaAu3)2
Alexandria ALEXAlex-ID: agm005644902 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1768_spg15
GaAu GaAu2 MgAu3
2023-07-08 16:47:13.977573
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644902).
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 agm005644902
data_agm005644902
_cell_length_a 4.28754
_cell_length_b 9.59132
_cell_length_c 9.59132
_cell_angle_alpha 58.20041
_cell_angle_beta 82.03426
_cell_angle_gamma 82.03426
_cell_volume 330.97747
_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
Mg1 Mg 0.25000 0.13285 0.86715 1.00000
Mg2 Mg 0.75000 0.86715 0.13285 1.00000
Ga1 Ga 0.39153 0.49496 0.82022 1.00000
Ga2 Ga 0.10847 0.17978 0.50504 1.00000
Ga3 Ga 0.60847 0.50504 0.17978 1.00000
Ga4 Ga 0.89153 0.82022 0.49496 1.00000
Au1 Au 0.45948 0.67585 0.44942 1.00000
Au2 Au 0.04052 0.55058 0.32415 1.00000
Au3 Au 0.54052 0.32415 0.55058 1.00000
Au4 Au 0.95948 0.44942 0.67585 1.00000
Au5 Au 0.65037 0.14212 0.35599 1.00000
Au6 Au 0.84963 0.64401 0.85788 1.00000
Au7 Au 0.34963 0.85788 0.64401 1.00000
Au8 Au 0.15037 0.35599 0.14212 1.00000
Au9 Au 0.29592 0.78482 0.99132 1.00000
Au10 Au 0.20408 0.00868 0.21518 1.00000
Au11 Au 0.70408 0.21518 0.00868 1.00000
Au12 Au 0.79592 0.99132 0.78482 1.00000
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