Sm5Al6
Alexandria ALEXAlex-ID: agm005537573 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B6_90_spg10
SmAl SmAl2
2023-05-28 09:01:02.676991
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005537573).
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 agm005537573
data_agm005537573
_cell_length_a 5.95509
_cell_length_b 7.36753
_cell_length_c 7.69503
_cell_angle_alpha 89.99907
_cell_angle_beta 55.15787
_cell_angle_gamma 89.99916
_cell_volume 277.08997
_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 0.00000 0.50000 0.00000 1.00000
Sm2 Sm 0.58021 1.00000 0.22812 1.00000
Sm3 Sm 0.41979 0.00000 0.77188 1.00000
Sm4 Sm 0.68256 0.50001 0.58614 1.00000
Sm5 Sm 0.31744 0.49999 0.41386 1.00000
Al1 Al 0.50000 0.31880 0.00000 1.00000
Al2 Al 0.50000 0.68120 1.00000 1.00000
Al3 Al 0.98439 0.17988 0.69752 1.00000
Al4 Al 0.98441 0.82011 0.69751 1.00000
Al5 Al 0.01561 0.82012 0.30248 1.00000
Al6 Al 0.01559 0.17989 0.30249 1.00000
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