YZn3Au2
Alexandria ALEXAlex-ID: agm005669840 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_846_spg12
YZn3Au2
2023-08-25 11:39:57.640921
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669840).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005669840
data_agm005669840
_cell_length_a 4.14448
_cell_length_b 6.70322
_cell_length_c 8.61672
_cell_angle_alpha 107.57030
_cell_angle_beta 103.91548
_cell_angle_gamma 89.99998
_cell_volume 220.83554
_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
Y1 Y 0.11267 0.14997 0.22534 1.00000
Y2 Y 0.88733 0.85003 0.77466 1.00000
Zn1 Zn 0.69399 0.90423 0.38799 1.00000
Zn2 Zn 0.07382 0.63540 0.14765 1.00000
Zn3 Zn 0.36493 0.50743 0.72986 1.00000
Zn4 Zn 0.63507 0.49257 0.27014 1.00000
Zn5 Zn 0.92618 0.36460 0.85235 1.00000
Zn6 Zn 0.30601 0.09577 0.61201 1.00000
Au1 Au 0.51955 0.80140 0.03909 1.00000
Au2 Au 0.48045 0.19860 0.96091 1.00000
Au3 Au 0.23967 0.67916 0.47933 1.00000
Au4 Au 0.76033 0.32084 0.52067 1.00000
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