Sm5Al2
Alexandria ALEXAlex-ID: agm003288752 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_163_spg15
SmAl Sm
2022-01-15 18:14:33.865896
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003288752).
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 agm003288752
data_agm003288752
_cell_length_a 5.64629
_cell_length_b 9.00163
_cell_length_c 8.46351
_cell_angle_alpha 98.21304
_cell_angle_beta 109.48539
_cell_angle_gamma 90.00000
_cell_volume 400.84447
_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
Sm1 Sm 0.33399 0.45008 0.23725 1.00000
Sm2 Sm 0.09674 0.04992 0.76275 1.00000
Sm3 Sm 0.11942 0.67675 0.54823 1.00000
Sm4 Sm 0.57119 0.82325 0.45177 1.00000
Sm5 Sm 0.88058 0.32325 0.45177 1.00000
Sm6 Sm 0.42881 0.17675 0.54823 1.00000
Sm7 Sm 0.90326 0.95008 0.23725 1.00000
Sm8 Sm 0.66601 0.54992 0.76275 1.00000
Sm9 Sm 0.76381 0.25000 1.00000 1.00000
Sm10 Sm 0.23619 0.75000 0.00000 1.00000
Al1 Al 0.20888 0.39996 0.83436 1.00000
Al2 Al 0.37452 0.10004 0.16564 1.00000
Al3 Al 0.79112 0.60004 0.16564 1.00000
Al4 Al 0.62548 0.89996 0.83436 1.00000
Get direct link