ZnAg2Au3
Alexandria ALEXAlex-ID: agm087581897 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_898_spg74
ZnAg2Au3
2025-03-24 13:46:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm087581897).
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 agm087581897
data_agm087581897
_cell_length_a 7.70063
_cell_length_b 7.70063
_cell_length_c 7.70063
_cell_angle_alpha 147.68306
_cell_angle_beta 120.03665
_cell_angle_gamma 69.77805
_cell_volume 208.36512
_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 0.40347 0.65347 0.75000 1.00000
Zn2 Zn 0.59653 0.34653 0.25000 1.00000
Ag1 Ag 0.76491 0.01491 0.75000 1.00000
Ag2 Ag 0.23509 0.98509 0.25000 1.00000
Ag3 Ag 0.07689 0.32689 0.75000 1.00000
Ag4 Ag 0.92311 0.67311 0.25000 1.00000
Au1 Au 0.64046 0.17086 0.46960 1.00000
Au2 Au 0.35954 0.82914 0.53040 1.00000
Au3 Au 0.20126 0.17086 0.03040 1.00000
Au4 Au 0.79874 0.82914 0.96960 1.00000
Au5 Au 0.00000 0.50000 0.50000 1.00000
Au6 Au 0.50000 0.50000 0.00000 1.00000
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