Sr3AlAs3
Alexandria ALEXAlex-ID: agm014279934 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_168_spg62
Sr3AlAs3
2024-08-25 04:13:13.961142
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014279934).
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 agm014279934
data_agm014279934
_cell_length_a 4.39188
_cell_length_b 13.14916
_cell_length_c 13.99530
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 808.22278
_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
Sr1 Sr 0.25000 0.77796 0.70662 1.00000
Sr2 Sr 0.25000 0.27796 0.79338 1.00000
Sr3 Sr 0.75000 0.22204 0.29338 1.00000
Sr4 Sr 0.75000 0.72204 0.20662 1.00000
Sr5 Sr 0.25000 0.07747 0.60542 1.00000
Sr6 Sr 0.25000 0.57747 0.89458 1.00000
Sr7 Sr 0.75000 0.92253 0.39458 1.00000
Sr8 Sr 0.75000 0.42253 0.10542 1.00000
Sr9 Sr 0.25000 0.86419 0.99885 1.00000
Sr10 Sr 0.25000 0.36419 0.50115 1.00000
Sr11 Sr 0.75000 0.13581 0.00115 1.00000
Sr12 Sr 0.75000 0.63581 0.49885 1.00000
Al1 Al 0.25000 0.05748 0.20467 1.00000
Al2 Al 0.25000 0.55748 0.29533 1.00000
Al3 Al 0.75000 0.94252 0.79533 1.00000
Al4 Al 0.75000 0.44252 0.70467 1.00000
As1 As 0.25000 0.09039 0.38188 1.00000
As2 As 0.25000 0.59039 0.11812 1.00000
As3 As 0.75000 0.90961 0.61812 1.00000
As4 As 0.75000 0.40961 0.88188 1.00000
As5 As 0.25000 0.23271 0.12699 1.00000
As6 As 0.25000 0.73271 0.37301 1.00000
As7 As 0.75000 0.76729 0.87301 1.00000
As8 As 0.75000 0.26729 0.62699 1.00000
As9 As 0.25000 0.54037 0.65510 1.00000
As10 As 0.25000 0.04037 0.84490 1.00000
As11 As 0.75000 0.45963 0.34490 1.00000
As12 As 0.75000 0.95963 0.15510 1.00000
