Al2Zn5Au12
Alexandria ALEXAlex-ID: agm005643679 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_56_spg12
Zn2Au3 Al3Au8 ZnAu
2023-06-23 01:51:31.028666
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643679).
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 agm005643679
data_agm005643679
_cell_length_a 6.59047
_cell_length_b 7.58756
_cell_length_c 7.66919
_cell_angle_alpha 119.64854
_cell_angle_beta 95.68597
_cell_angle_gamma 90.00000
_cell_volume 331.12001
_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 1.00000 0.78707 0.00000 1.00000
Al2 Al 0.00000 0.21293 1.00000 1.00000
Zn1 Zn 0.54139 0.23965 0.47930 1.00000
Zn2 Zn 0.06786 0.32686 0.65372 1.00000
Zn3 Zn 0.50000 0.00000 0.00000 1.00000
Zn4 Zn 0.93214 0.67314 0.34628 1.00000
Zn5 Zn 0.45861 0.76035 0.52070 1.00000
Au1 Au 0.14720 0.87665 0.75330 1.00000
Au2 Au 0.79806 0.02815 0.62334 1.00000
Au3 Au 0.79806 0.59520 0.62334 1.00000
Au4 Au 0.41315 0.19204 0.78604 1.00000
Au5 Au 0.41315 0.59400 0.78604 1.00000
Au6 Au 0.78229 0.45845 0.91691 1.00000
Au7 Au 0.21771 0.54155 0.08309 1.00000
Au8 Au 0.58685 0.80796 0.21396 1.00000
Au9 Au 0.58685 0.40600 0.21396 1.00000
Au10 Au 0.20194 0.97185 0.37666 1.00000
Au11 Au 0.20194 0.40480 0.37666 1.00000
Au12 Au 0.85280 0.12335 0.24670 1.00000
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