Mg(Al3Cu)3
Alexandria ALEXAlex-ID: agm006018032 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_320_spg12
MgAl19 Al2Cu MgAl2Cu
2023-08-09 23:14:42.102916
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006018032).
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 agm006018032
data_agm006018032
_cell_length_a 5.02707
_cell_length_b 6.85228
_cell_length_c 6.90587
_cell_angle_alpha 82.44539
_cell_angle_beta 68.65575
_cell_angle_gamma 68.82526
_cell_volume 206.60991
_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
Al1 Al 0.70713 0.78856 0.78144 1.00000
Al2 Al 0.29287 0.21144 0.21856 1.00000
Al3 Al 0.51142 0.21144 0.78144 1.00000
Al4 Al 0.48858 0.78856 0.21856 1.00000
Al5 Al 0.65248 0.34360 0.35635 1.00000
Al6 Al 0.34752 0.65640 0.64365 1.00000
Al7 Al 0.99117 0.65640 0.35635 1.00000
Al8 Al 0.00883 0.34360 0.64365 1.00000
Al9 Al 0.00000 0.50000 0.00000 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Cu2 Cu 0.00000 0.00000 0.50000 1.00000
Cu3 Cu 0.50000 0.00000 0.50000 1.00000
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