Mn5AlCo6
Alexandria ALEXAlex-ID: agm006115099 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_95_spg12
Mn3Co2 MnAlCo2 Co
2023-08-17 14:57:12.679677
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115099).
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 agm006115099
data_agm006115099
_cell_length_a 4.03107
_cell_length_b 5.69985
_cell_length_c 6.37913
_cell_angle_alpha 89.99969
_cell_angle_beta 108.43153
_cell_angle_gamma 90.00032
_cell_volume 139.05142
_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 0.66655 0.50001 0.33302 1.00000
Mn2 Mn 0.33547 0.99999 0.67112 1.00000
Mn3 Mn 0.00000 0.50000 0.00000 1.00000
Mn4 Mn 0.66453 0.00001 0.32888 1.00000
Mn5 Mn 0.33345 0.49999 0.66698 1.00000
Co1 Co 0.83135 0.74797 0.66271 1.00000
Co2 Co 0.83135 0.25202 0.66271 1.00000
Co3 Co 0.50000 0.25670 1.00000 1.00000
Co4 Co 0.50000 0.74330 0.00000 1.00000
Co5 Co 0.16865 0.74798 0.33729 1.00000
Co6 Co 0.16865 0.25203 0.33729 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
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