AlInAg4
Alexandria ALEXAlex-ID: agm003736071 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
AlAg4 In
2022-04-18 05:56:33.101452
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003736071).
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 agm003736071
data_agm003736071
_cell_length_a 5.30738
_cell_length_b 7.50893
_cell_length_c 7.12907
_cell_angle_alpha 112.71939
_cell_angle_beta 99.99507
_cell_angle_gamma 112.16302
_cell_volume 225.11798
_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 0.24895 0.99895 0.99789 1.00000
Al2 Al 0.75105 0.00105 0.00211 1.00000
In1 In 0.34941 0.59941 0.19882 1.00000
In2 In 0.65059 0.40059 0.80118 1.00000
Ag1 Ag 0.04201 0.17564 0.76698 1.00000
Ag2 Ag 0.75998 0.71298 0.62500 1.00000
Ag3 Ag 0.22497 0.59134 0.76698 1.00000
Ag4 Ag 0.36502 0.91202 0.62500 1.00000
Ag5 Ag 0.63498 0.08798 0.37500 1.00000
Ag6 Ag 0.77503 0.40866 0.23302 1.00000
Ag7 Ag 0.24002 0.28702 0.37500 1.00000
Ag8 Ag 0.95799 0.82436 0.23302 1.00000
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