Al2Ag2Cl
Alexandria ALEXAlex-ID: agm005415081 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_12_spg139
AlAg2 AlAg AlCl3
2023-03-17 09:21:01.999755
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005415081).
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 agm005415081
data_agm005415081
_cell_length_a 7.67619
_cell_length_b 7.67619
_cell_length_c 7.67619
_cell_angle_alpha 151.11815
_cell_angle_beta 151.11815
_cell_angle_gamma 41.30251
_cell_volume 105.28918
_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 0.25000 0.75000 0.50000 1.00000
Al2 Al 0.75000 0.25000 0.50000 1.00000
Ag1 Ag 0.61556 0.61556 0.00000 1.00000
Ag2 Ag 0.38444 0.38444 0.00000 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
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