Mg3AlCd
Alexandria ALEXAlex-ID: agm005775073 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5530_spg12
Mg6Al7 Mg2Cd Mg17Al12
2023-07-04 15:35:54.645407
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005775073).
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 agm005775073
data_agm005775073
_cell_length_a 4.35207
_cell_length_b 5.45178
_cell_length_c 9.66518
_cell_angle_alpha 90.22061
_cell_angle_beta 89.99998
_cell_angle_gamma 113.52456
_cell_volume 210.26019
_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 0.05148 0.10295 0.34659 1.00000
Mg2 Mg 0.94852 0.89705 0.65341 1.00000
Mg3 Mg 0.44247 0.88495 0.14055 1.00000
Mg4 Mg 0.55753 0.11505 0.85945 1.00000
Mg5 Mg 0.25445 0.50890 0.76150 1.00000
Mg6 Mg 0.74555 0.49110 0.23850 1.00000
Al1 Al 0.85674 0.71349 0.95234 1.00000
Al2 Al 0.14326 0.28651 0.04766 1.00000
Cd1 Cd 0.64918 0.29837 0.55562 1.00000
Cd2 Cd 0.35082 0.70163 0.44438 1.00000
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