Na5Al2S5
Alexandria ALEXAlex-ID: agm003374151 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_0_spg12
Na3AlS3 Al
2022-02-08 19:39:35.501620
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374151).
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 agm003374151
data_agm003374151
_cell_length_a 4.09699
_cell_length_b 6.64985
_cell_length_c 10.55054
_cell_angle_alpha 105.12604
_cell_angle_beta 90.00000
_cell_angle_gamma 107.94182
_cell_volume 262.97698
_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
Na1 Na 0.50000 0.00000 0.50000 1.00000
Na2 Na 0.65766 0.31533 0.06559 1.00000
Na3 Na 0.75464 0.50929 0.37030 1.00000
Na4 Na 0.24536 0.49071 0.62970 1.00000
Na5 Na 0.34234 0.68467 0.93441 1.00000
Al1 Al 0.04643 0.09286 0.79499 1.00000
Al2 Al 0.95357 0.90714 0.20501 1.00000
S1 S 0.10513 0.21026 0.37509 1.00000
S2 S 0.64576 0.29152 0.79488 1.00000
S3 S 0.35424 0.70848 0.20512 1.00000
S4 S 0.89487 0.78974 0.62491 1.00000
S5 S 0.00000 0.00000 0.00000 1.00000
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