MnAl
Alexandria ALEXAlex-ID: agm005484538 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1540_spg8
MnAl
2023-03-18 04:55:26.635328
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005484538).
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 agm005484538
data_agm005484538
_cell_length_a 5.15473
_cell_length_b 5.15473
_cell_length_c 6.30743
_cell_angle_alpha 74.04828
_cell_angle_beta 74.04828
_cell_angle_gamma 30.44318
_cell_volume 81.40092
_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
Mn1 Mn 0.67263 0.67263 0.66763 1.00000
Mn2 Mn 0.93946 0.93946 0.61025 1.00000
Mn3 Mn 0.27687 0.27687 0.95287 1.00000
Al1 Al 0.99975 0.99975 0.97366 1.00000
Al2 Al 0.33249 0.33249 0.34629 1.00000
Al3 Al 0.61213 0.61213 0.28263 1.00000
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