Sr3Al6Ag5
Alexandria ALEXAlex-ID: agm005707784 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C6_6_spg59
SrAl3Ag2 SrAg
2023-06-30 06:57:38.006264
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707784).
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 agm005707784
data_agm005707784
_cell_length_a 4.45797
_cell_length_b 11.09588
_cell_length_c 12.97851
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 641.98276
_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 0.00000 0.24792 0.65982 1.00000
Sr2 Sr 0.50000 0.75208 0.15982 1.00000
Sr3 Sr 0.50000 0.75208 0.84018 1.00000
Sr4 Sr 0.00000 0.25629 0.00000 1.00000
Sr5 Sr 0.50000 0.74371 0.50000 1.00000
Sr6 Sr 0.00000 0.24792 0.34018 1.00000
Al1 Al 0.00000 0.00938 0.82584 1.00000
Al2 Al 0.50000 0.99062 0.67416 1.00000
Al3 Al 0.50000 0.41144 0.80911 1.00000
Al4 Al 0.50000 0.50650 0.00000 1.00000
Al5 Al 0.00000 0.49350 0.50000 1.00000
Al6 Al 0.00000 0.58856 0.69089 1.00000
Al7 Al 0.00000 0.58856 0.30911 1.00000
Al8 Al 0.50000 0.01293 0.00000 1.00000
Al9 Al 0.00000 0.00938 0.17416 1.00000
Al10 Al 0.50000 0.41144 0.19089 1.00000
Al11 Al 0.00000 0.98708 0.50000 1.00000
Al12 Al 0.50000 0.99062 0.32584 1.00000
Ag1 Ag 0.00000 0.52807 0.88802 1.00000
Ag2 Ag 0.00000 0.84444 0.67065 1.00000
Ag3 Ag 0.00000 0.88697 0.00000 1.00000
Ag4 Ag 0.50000 0.47193 0.61198 1.00000
Ag5 Ag 0.50000 0.11303 0.50000 1.00000
Ag6 Ag 0.00000 0.52807 0.11198 1.00000
Ag7 Ag 0.50000 0.47193 0.38802 1.00000
Ag8 Ag 0.00000 0.84444 0.32935 1.00000
Ag9 Ag 0.50000 0.15556 0.82935 1.00000
Ag10 Ag 0.50000 0.15556 0.17065 1.00000
