Zn4AgAu2
Alexandria ALEXAlex-ID: agm089502012 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_415_spg12
ZnAg2 Zn3AgAu2 Zn3Au
2025-04-19 22:55:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm089502012).
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 agm089502012
data_agm089502012
_cell_length_a 4.78011
_cell_length_b 4.78011
_cell_length_c 6.56612
_cell_angle_alpha 79.52536
_cell_angle_beta 100.47464
_cell_angle_gamma 130.18131
_cell_volume 112.29931
_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
Zn1 Zn 0.20581 0.79419 0.64524 1.00000
Zn2 Zn 0.79419 0.20581 0.35476 1.00000
Zn3 Zn 0.63517 0.36483 0.92914 1.00000
Zn4 Zn 0.36483 0.63517 0.07086 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Au1 Au 0.09231 0.90769 0.21495 1.00000
Au2 Au 0.90769 0.09231 0.78505 1.00000
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