Mn11Al10
Alexandria ALEXAlex-ID: agm007752689 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A10B11_0_spg139
MnAl Mn2Al
2024-06-28 13:13:30.690589
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007752689).
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 agm007752689
data_agm007752689
_cell_length_a 9.42786
_cell_length_b 9.42786
_cell_length_c 9.42786
_cell_angle_alpha 120.55921
_cell_angle_beta 120.55921
_cell_angle_gamma 89.03412
_cell_volume 587.45000
_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 0.82498 0.82498 0.00000 1.00000
Mn2 Mn 0.17502 0.17502 0.00000 1.00000
Mn3 Mn 0.66883 0.33117 0.00000 1.00000
Mn4 Mn 0.33117 0.66883 0.00000 1.00000
Mn5 Mn 0.66883 0.66883 0.33766 1.00000
Mn6 Mn 0.33117 0.33117 0.66234 1.00000
Mn7 Mn 0.57007 0.89944 0.67062 1.00000
Mn8 Mn 0.42993 0.10056 0.32938 1.00000
Mn9 Mn 0.22882 0.89944 0.32938 1.00000
Mn10 Mn 0.89944 0.57007 0.67062 1.00000
Mn11 Mn 0.77118 0.10056 0.67062 1.00000
Mn12 Mn 0.10056 0.42993 0.32938 1.00000
Mn13 Mn 0.89944 0.22882 0.32938 1.00000
Mn14 Mn 0.10056 0.77118 0.67062 1.00000
Mn15 Mn 0.44335 0.68933 0.75401 1.00000
Mn16 Mn 0.55665 0.31067 0.24599 1.00000
Mn17 Mn 0.93532 0.68933 0.24599 1.00000
Mn18 Mn 0.68933 0.44335 0.75401 1.00000
Mn19 Mn 0.06468 0.31067 0.75401 1.00000
Mn20 Mn 0.31067 0.55665 0.24599 1.00000
Mn21 Mn 0.68933 0.93532 0.24599 1.00000
Mn22 Mn 0.31067 0.06468 0.75401 1.00000
Al1 Al 0.62035 0.04107 0.00000 1.00000
Al2 Al 0.37965 0.95893 0.00000 1.00000
Al3 Al 0.04107 0.62035 0.00000 1.00000
Al4 Al 0.62035 0.62035 0.57928 1.00000
Al5 Al 0.95893 0.95893 0.57928 1.00000
Al6 Al 0.95893 0.37965 0.00000 1.00000
Al7 Al 0.37965 0.37965 0.42072 1.00000
Al8 Al 0.04107 0.04107 0.42072 1.00000
Al9 Al 0.60609 0.60609 0.00000 1.00000
Al10 Al 0.39391 0.39391 0.00000 1.00000
Al11 Al 0.86517 0.13483 0.00000 1.00000
Al12 Al 0.13483 0.86517 0.00000 1.00000
Al13 Al 0.86517 0.86517 0.73034 1.00000
Al14 Al 0.13483 0.13483 0.26966 1.00000
Al15 Al 0.25000 0.75000 0.50000 1.00000
Al16 Al 0.75000 0.25000 0.50000 1.00000
Al17 Al 0.50000 0.14008 0.64008 1.00000
Al18 Al 0.50000 0.85992 0.35992 1.00000
Al19 Al 0.85992 0.50000 0.35992 1.00000
Al20 Al 0.14008 0.50000 0.64008 1.00000
