Zr3Zn3Au4
Alexandria ALEXAlex-ID: agm008602901 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4_22_spg38
ZrZnAu2 ZrZnAu
2024-03-19 10:44:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008602901).
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 agm008602901
data_agm008602901
_cell_length_a 7.20791
_cell_length_b 7.20791
_cell_length_c 3.74477
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 94.66130
_cell_volume 193.91179
_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
Zr1 Zr 0.16099 0.16099 0.50000 1.00000
Zr2 Zr 0.33947 0.67848 0.50000 1.00000
Zr3 Zr 0.67848 0.33947 0.50000 1.00000
Zn1 Zn 0.00999 0.47863 0.00000 1.00000
Zn2 Zn 0.47863 0.00999 0.00000 1.00000
Zn3 Zn 0.84081 0.84081 0.50000 1.00000
Au1 Au 0.37165 0.37165 0.00000 1.00000
Au2 Au 0.65736 0.65736 0.00000 1.00000
Au3 Au 0.84667 0.11595 0.00000 1.00000
Au4 Au 0.11595 0.84667 0.00000 1.00000
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