AlAg6
Alexandria ALEXAlex-ID: agm003258673 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6_3_spg148
AlAg4 Ag
2021-12-05 14:39:04.308089
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003258673).
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
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# CIF generated by HEAS from Alexandria entry agm003258673
data_agm003258673
_cell_length_a 5.04870
_cell_length_b 5.04870
_cell_length_c 5.04870
_cell_angle_alpha 99.50049
_cell_angle_beta 99.50049
_cell_angle_gamma 99.50049
_cell_volume 122.71159
_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
Ag1 Ag 0.99762 0.00066 0.99268 1.00000
Ag2 Ag 0.57209 0.13554 0.28334 1.00000
Ag3 Ag 0.15018 0.28809 0.57077 1.00000
Ag4 Ag 0.70697 0.42620 0.85780 1.00000
Ag5 Ag 0.28506 0.57875 0.14523 1.00000
Ag6 Ag 0.85952 0.71363 0.43589 1.00000
Al1 Al 0.42857 0.85714 0.71429 1.00000
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