Mg3Al7Au2
Alexandria ALEXAlex-ID: agm024454596 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_153_spg166
MgAl19 MgAl2Au Mg3Au
2025-05-17 00:17:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024454596).
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 agm024454596
data_agm024454596
_cell_length_a 8.98558
_cell_length_b 8.98558
_cell_length_c 8.98558
_cell_angle_alpha 36.13170
_cell_angle_beta 36.13170
_cell_angle_gamma 36.13170
_cell_volume 225.66418
_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 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.85905 0.85905 0.85905 1.00000
Mg3 Mg 0.14095 0.14095 0.14095 1.00000
Al1 Al 0.07655 0.58847 0.58847 1.00000
Al2 Al 0.58847 0.58847 0.07655 1.00000
Al3 Al 0.50000 0.50000 0.50000 1.00000
Al4 Al 0.92345 0.41153 0.41153 1.00000
Al5 Al 0.58847 0.07655 0.58847 1.00000
Al6 Al 0.41153 0.41153 0.92345 1.00000
Al7 Al 0.41153 0.92345 0.41153 1.00000
Au1 Au 0.33522 0.33522 0.33522 1.00000
Au2 Au 0.66478 0.66478 0.66478 1.00000
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