UZnAu2
Alexandria ALEXAlex-ID: agm005774675 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_3139_spg2
U2ZnAu3 ZnAu
2023-07-13 18:55:39.709942
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774675).
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 agm005774675
data_agm005774675
_cell_length_a 6.84482
_cell_length_b 4.92948
_cell_length_c 4.90611
_cell_angle_alpha 76.66732
_cell_angle_beta 88.77576
_cell_angle_gamma 106.74524
_cell_volume 153.56042
_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
U1 U 0.94205 0.26369 0.89867 1.00000
U2 U 0.05795 0.73631 0.10133 1.00000
Zn1 Zn 0.35827 0.74012 0.61816 1.00000
Zn2 Zn 0.64173 0.25988 0.38184 1.00000
Au1 Au 0.20360 0.22045 0.40869 1.00000
Au2 Au 0.79640 0.77955 0.59131 1.00000
Au3 Au 0.44172 0.24800 0.88100 1.00000
Au4 Au 0.55828 0.75200 0.11900 1.00000
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