Al5(GaAg6)2
Alexandria ALEXAlex-ID: agm003370339 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_27_spg12
AlAg2 AlAg4 Ga4Ag3
2022-02-06 12:56:57.521313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370339).
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 agm003370339
data_agm003370339
_cell_length_a 5.65988
_cell_length_b 7.78392
_cell_length_c 9.10731
_cell_angle_alpha 100.71167
_cell_angle_beta 90.00000
_cell_angle_gamma 111.31913
_cell_volume 366.26021
_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
Al1 Al 0.29761 0.59522 0.62036 1.00000
Al2 Al 0.37346 0.74692 0.12276 1.00000
Al3 Al 0.00000 0.00000 0.50000 1.00000
Al4 Al 0.62654 0.25308 0.87724 1.00000
Al5 Al 0.70239 0.40478 0.37964 1.00000
Ga1 Ga 0.76333 1.00000 1.00000 1.00000
Ga2 Ga 0.23667 0.00000 0.00000 1.00000
Ag1 Ag 0.14807 0.29613 0.35785 1.00000
Ag2 Ag 0.05059 0.60549 0.88400 1.00000
Ag3 Ag 0.55490 0.60549 0.88400 1.00000
Ag4 Ag 0.10935 0.70733 0.37062 1.00000
Ag5 Ag 0.59798 0.70733 0.37062 1.00000
Ag6 Ag 0.47573 0.95145 0.65606 1.00000
Ag7 Ag 0.52427 0.04855 0.34394 1.00000
Ag8 Ag 0.89065 0.29267 0.62938 1.00000
Ag9 Ag 0.40202 0.29267 0.62938 1.00000
Ag10 Ag 0.94941 0.39451 0.11600 1.00000
Ag11 Ag 0.44510 0.39451 0.11600 1.00000
Ag12 Ag 0.85193 0.70387 0.64215 1.00000
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