Ba8Mg4Al
Alexandria ALEXAlex-ID: agm098107366 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_640_spg1
Ba4Al5 BaMg2 Ba
2025-06-16 15:51:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098107366).
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 agm098107366
data_agm098107366
_cell_length_a 4.66742
_cell_length_b 12.42406
_cell_length_c 11.65783
_cell_angle_alpha 62.83727
_cell_angle_beta 101.52643
_cell_angle_gamma 90.00933
_cell_volume 586.10812
_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
Ba1 Ba 0.45472 0.17967 0.13945 1.00000
Ba2 Ba 0.44775 0.68920 0.12498 1.00000
Ba3 Ba 0.26877 0.60314 0.76992 1.00000
Ba4 Ba 0.19856 0.17742 0.63120 1.00000
Ba5 Ba 0.58484 0.81081 0.39808 1.00000
Ba6 Ba 0.55805 0.34611 0.34845 1.00000
Ba7 Ba 0.78234 0.30762 0.79728 1.00000
Ba8 Ba 0.77210 0.89963 0.77579 1.00000
Mg1 Mg 0.94376 0.94966 0.11326 1.00000
Mg2 Mg 0.91170 0.46424 0.05799 1.00000
Mg3 Mg 0.11390 0.52914 0.45892 1.00000
Mg4 Mg 0.09917 0.03080 0.43038 1.00000
Al1 Al 0.36433 0.01257 0.95430 1.00000
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