ZnAg5Au4
Alexandria ALEXAlex-ID: agm006124656 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_427_spg2
Ag7Au2 Ag2Au ZnAg2Au3
2023-10-18 10:11:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006124656).
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 agm006124656
data_agm006124656
_cell_length_a 5.02747
_cell_length_b 5.90557
_cell_length_c 6.48933
_cell_angle_alpha 103.49548
_cell_angle_beta 104.39403
_cell_angle_gamma 73.09391
_cell_volume 175.83780
_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 0.50000 0.00000 0.00000 1.00000
Ag1 Ag 0.30084 0.19999 0.60585 1.00000
Ag2 Ag 0.10545 0.39775 0.19990 1.00000
Ag3 Ag 0.89455 0.60225 0.80010 1.00000
Ag4 Ag 0.50000 0.50000 0.00000 1.00000
Ag5 Ag 0.69916 0.80001 0.39415 1.00000
Au1 Au 0.69727 0.29646 0.39663 1.00000
Au2 Au 0.09967 0.90148 0.19588 1.00000
Au3 Au 0.30273 0.70354 0.60337 1.00000
Au4 Au 0.90033 0.09852 0.80412 1.00000
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