Mn2Al9
Alexandria ALEXAlex-ID: agm007757392 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9_3_spg7
MnAl6 Mn4Al11
2024-12-20 19:51:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007757392).
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 agm007757392
data_agm007757392
_cell_length_a 5.99159
_cell_length_b 6.57484
_cell_length_c 8.95385
_cell_angle_alpha 90.00000
_cell_angle_beta 93.94167
_cell_angle_gamma 90.00000
_cell_volume 351.89121
_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 0.26280 0.36811 0.83344 1.00000
Mn2 Mn 0.73659 0.86814 0.66656 1.00000
Mn3 Mn 0.73659 0.13186 0.16656 1.00000
Mn4 Mn 0.26280 0.63189 0.33344 1.00000
Al1 Al 0.99968 0.75002 0.49997 1.00000
Al2 Al 0.99968 0.24998 0.99997 1.00000
Al3 Al 0.43298 0.69519 0.78376 1.00000
Al4 Al 0.56639 0.19520 0.71620 1.00000
Al5 Al 0.56639 0.80480 0.21620 1.00000
Al6 Al 0.43298 0.30481 0.28376 1.00000
Al7 Al 0.05668 0.07970 0.72450 1.00000
Al8 Al 0.94277 0.57972 0.77545 1.00000
Al9 Al 0.94277 0.42028 0.27545 1.00000
Al10 Al 0.05668 0.92030 0.22450 1.00000
Al11 Al 0.39940 0.93372 0.48459 1.00000
Al12 Al 0.60003 0.43374 0.01538 1.00000
Al13 Al 0.60003 0.56626 0.51538 1.00000
Al14 Al 0.39940 0.06628 0.98459 1.00000
Al15 Al 0.21008 0.37453 0.54680 1.00000
Al16 Al 0.78932 0.87454 0.95318 1.00000
Al17 Al 0.78932 0.12546 0.45318 1.00000
Al18 Al 0.21008 0.62547 0.04680 1.00000
