Al3ZnGa2
Alexandria ALEXAlex-ID: agm005663584 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2080_spg2
Al6Zn Al3Zn4 AlGa4
2023-08-07 05:26:47.466163
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663584).
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 agm005663584
data_agm005663584
_cell_length_a 4.97602
_cell_length_b 7.07632
_cell_length_c 17.64040
_cell_angle_alpha 73.93311
_cell_angle_beta 48.00982
_cell_angle_gamma 61.56415
_cell_volume 405.14520
_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 0.51750 0.65618 0.27062 1.00000
Al2 Al 0.48250 0.34382 0.72938 1.00000
Al3 Al 0.35085 0.47998 0.10510 1.00000
Al4 Al 0.05701 0.44099 0.31254 1.00000
Al5 Al 0.64915 0.52002 0.89490 1.00000
Al6 Al 0.94299 0.55901 0.68746 1.00000
Al7 Al 0.77104 0.39080 0.52049 1.00000
Al8 Al 0.18894 0.31227 0.93722 1.00000
Al9 Al 0.22896 0.60920 0.47951 1.00000
Al10 Al 0.81106 0.68773 0.06278 1.00000
Al11 Al 0.97584 0.85892 0.22923 1.00000
Al12 Al 0.02416 0.14108 0.77077 1.00000
Zn1 Zn 0.42252 0.06394 0.19314 1.00000
Zn2 Zn 0.14775 0.02264 0.39639 1.00000
Zn3 Zn 0.57748 0.93606 0.80686 1.00000
Zn4 Zn 0.85225 0.97736 0.60361 1.00000
Ga1 Ga 0.59457 0.23894 0.35551 1.00000
Ga2 Ga 0.88451 0.27762 0.14724 1.00000
Ga3 Ga 0.40543 0.76106 0.64449 1.00000
Ga4 Ga 0.11549 0.72238 0.85276 1.00000
Ga5 Ga 0.26696 0.89388 0.02094 1.00000
Ga6 Ga 0.69406 0.81054 0.43572 1.00000
Ga7 Ga 0.73304 0.10612 0.97906 1.00000
Ga8 Ga 0.30594 0.18946 0.56428 1.00000
