La6Mn9Al5
Alexandria ALEXAlex-ID: agm003246741 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B6C9_0_spg140
Mn24Al5 La LaAl
2021-12-18 16:13:56.550128
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003246741).
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 agm003246741
data_agm003246741
_cell_length_a 8.35215
_cell_length_b 8.35215
_cell_length_c 13.29428
_cell_angle_alpha 108.30804
_cell_angle_beta 108.30804
_cell_angle_gamma 90.00000
_cell_volume 830.85351
_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
La1 La 0.36270 0.86270 0.37925 1.00000
La2 La 0.63730 0.13730 0.62075 1.00000
La3 La 0.01655 0.51655 0.37925 1.00000
La4 La 0.51655 0.36270 0.37925 1.00000
La5 La 0.13730 0.98345 0.62075 1.00000
La6 La 0.98345 0.48345 0.62075 1.00000
La7 La 0.48345 0.63730 0.62075 1.00000
La8 La 0.86270 0.01655 0.37925 1.00000
La9 La 0.10502 0.10502 0.21004 1.00000
La10 La 0.89498 0.89498 0.78996 1.00000
La11 La 0.39498 0.39498 0.78996 1.00000
La12 La 0.60502 0.60502 0.21004 1.00000
Mn1 Mn 0.07254 0.21686 0.00000 1.00000
Mn2 Mn 0.92746 0.78314 1.00000 1.00000
Mn3 Mn 0.78314 0.07254 1.00000 1.00000
Mn4 Mn 0.42746 0.71686 0.00000 1.00000
Mn5 Mn 0.21686 0.92746 0.00000 1.00000
Mn6 Mn 0.57254 0.28314 1.00000 1.00000
Mn7 Mn 0.71686 0.57254 0.00000 1.00000
Mn8 Mn 0.28314 0.42746 1.00000 1.00000
Mn9 Mn 0.23005 0.73005 0.10830 1.00000
Mn10 Mn 0.76995 0.26995 0.89170 1.00000
Mn11 Mn 0.87825 0.37825 0.10830 1.00000
Mn12 Mn 0.37825 0.23005 0.10830 1.00000
Mn13 Mn 0.26995 0.12175 0.89170 1.00000
Mn14 Mn 0.12175 0.62175 0.89170 1.00000
Mn15 Mn 0.62175 0.76995 0.89170 1.00000
Mn16 Mn 0.73005 0.87825 0.10830 1.00000
Mn17 Mn 0.00000 0.50000 0.00000 1.00000
Mn18 Mn 0.50000 0.00000 0.00000 1.00000
Al1 Al 0.71113 0.21113 0.18827 1.00000
Al2 Al 0.28887 0.78887 0.81173 1.00000
Al3 Al 0.47714 0.97714 0.18827 1.00000
Al4 Al 0.97714 0.71113 0.18827 1.00000
Al5 Al 0.78887 0.52286 0.81173 1.00000
Al6 Al 0.52286 0.02286 0.81173 1.00000
Al7 Al 0.02286 0.28887 0.81173 1.00000
Al8 Al 0.21113 0.47714 0.18827 1.00000
Al9 Al 0.25000 0.25000 0.50000 1.00000
Al10 Al 0.75000 0.75000 0.50000 1.00000
