Sc3(Al2Ag)2
Alexandria ALEXAlex-ID: agm005607971 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
Sc2Al3Ag ScAg2
2023-06-26 17:13:08.788451
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607971).
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 agm005607971
data_agm005607971
_cell_length_a 4.52497
_cell_length_b 5.55814
_cell_length_c 8.43181
_cell_angle_alpha 115.97367
_cell_angle_beta 90.00000
_cell_angle_gamma 114.02016
_cell_volume 169.98120
_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
Sc1 Sc 0.66413 0.32825 0.66721 1.00000
Sc2 Sc 0.00000 0.00000 0.00000 1.00000
Sc3 Sc 0.33587 0.67175 0.33279 1.00000
Al1 Al 0.73448 0.46896 0.06826 1.00000
Al2 Al 0.26552 0.53104 0.93174 1.00000
Al3 Al 0.95277 0.90553 0.61990 1.00000
Al4 Al 0.04723 0.09447 0.38010 1.00000
Ag1 Ag 0.61487 0.22975 0.28116 1.00000
Ag2 Ag 0.38513 0.77025 0.71884 1.00000
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