Mg3Au2
Alexandria ALEXAlex-ID: agm005505510 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_588_spg43
Mg2Au MgAu
2023-03-20 07:15:03.962675
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505510).
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 agm005505510
data_agm005505510
_cell_length_a 8.66949
_cell_length_b 7.58662
_cell_length_c 5.62350
_cell_angle_alpha 80.54244
_cell_angle_beta 59.67783
_cell_angle_gamma 39.77973
_cell_volume 186.78028
_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 0.48019 0.73594 0.44274 1.00000
Mg2 Mg 0.34113 0.44274 0.73594 1.00000
Mg3 Mg 0.51406 0.76981 0.90887 1.00000
Mg4 Mg 0.80726 0.90887 0.76981 1.00000
Mg5 Mg 0.91002 0.08998 0.08998 1.00000
Mg6 Mg 0.16002 0.33998 0.33998 1.00000
Au1 Au 0.91416 0.19414 0.53720 1.00000
Au2 Au 0.35450 0.53720 0.19414 1.00000
Au3 Au 0.05586 0.33584 0.89550 1.00000
Au4 Au 0.71280 0.89550 0.33584 1.00000
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