MgAl3Cu2
Alexandria ALEXAlex-ID: agm005669121 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2447_spg12
Mg2Al5Cu6 Al2Cu MgAl2Cu
2023-08-22 15:59:38.159262
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669121).
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 agm005669121
data_agm005669121
_cell_length_a 4.13970
_cell_length_b 8.79377
_cell_length_c 9.69262
_cell_angle_alpha 121.20181
_cell_angle_beta 90.00000
_cell_angle_gamma 103.61382
_cell_volume 290.15366
_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 0.16226 0.32453 0.66966 1.00000
Mg2 Mg 0.83774 0.67547 0.33034 1.00000
Mg3 Mg 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.00635 0.01269 0.31173 1.00000
Al2 Al 0.99365 0.98731 0.68827 1.00000
Al3 Al 0.20196 0.40391 0.39457 1.00000
Al4 Al 0.79804 0.59609 0.60543 1.00000
Al5 Al 0.63215 0.26430 0.17293 1.00000
Al6 Al 0.36785 0.73570 0.82707 1.00000
Al7 Al 0.50000 0.00000 0.50000 1.00000
Al8 Al 0.31169 0.62338 0.04448 1.00000
Al9 Al 0.68831 0.37662 0.95552 1.00000
Cu1 Cu 0.20370 0.40740 0.13830 1.00000
Cu2 Cu 0.79630 0.59260 0.86170 1.00000
Cu3 Cu 0.47475 0.94950 0.14189 1.00000
Cu4 Cu 0.52525 0.05050 0.85811 1.00000
Cu5 Cu 0.37866 0.75733 0.57075 1.00000
Cu6 Cu 0.62134 0.24267 0.42925 1.00000
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