Al(ZnGa2)6
Alexandria ALEXAlex-ID: agm006111507 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_35_spg148
Zn2Ga7 Al3Zn4 Zn
2023-08-25 14:47:51.252905
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111507).
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 agm006111507
data_agm006111507
_cell_length_a 7.12320
_cell_length_b 7.14446
_cell_length_c 7.14208
_cell_angle_alpha 98.60352
_cell_angle_beta 79.93659
_cell_angle_gamma 80.34658
_cell_volume 346.76766
_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 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.12965 0.73897 0.19825 1.00000
Zn2 Zn 0.73416 0.80710 0.13638 1.00000
Zn3 Zn 0.19475 0.13376 0.26220 1.00000
Zn4 Zn 0.87035 0.26103 0.80175 1.00000
Zn5 Zn 0.26584 0.19290 0.86362 1.00000
Zn6 Zn 0.80525 0.86624 0.73780 1.00000
Ga1 Ga 0.54925 0.79544 0.53237 1.00000
Ga2 Ga 0.19738 0.53125 0.45336 1.00000
Ga3 Ga 0.46803 0.45376 0.79582 1.00000
Ga4 Ga 0.45075 0.20456 0.46763 1.00000
Ga5 Ga 0.80262 0.46875 0.54664 1.00000
Ga6 Ga 0.53197 0.54624 0.20418 1.00000
Ga7 Ga 0.82837 0.05955 0.42576 1.00000
Ga8 Ga 0.42334 0.82964 0.94390 1.00000
Ga9 Ga 0.05725 0.57903 0.83413 1.00000
Ga10 Ga 0.17163 0.94045 0.57424 1.00000
Ga11 Ga 0.57666 0.17036 0.05610 1.00000
Ga12 Ga 0.94275 0.42097 0.16587 1.00000
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