Y3Zn7Au4
Alexandria ALEXAlex-ID: agm005697344 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Y3Zn6Au5 YZnAu Y2Zn17
2023-06-29 17:52:03.927001
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697344).
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 agm005697344
data_agm005697344
_cell_length_a 4.43499
_cell_length_b 8.24646
_cell_length_c 8.36945
_cell_angle_alpha 66.84660
_cell_angle_beta 74.63593
_cell_angle_gamma 74.40100
_cell_volume 266.65819
_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 0.29389 0.20360 0.20862 1.00000
Y2 Y 0.70611 0.79640 0.79138 1.00000
Y3 Y 0.00000 0.50000 0.50000 1.00000
Zn1 Zn 0.33371 0.81576 0.51682 1.00000
Zn2 Zn 0.49918 0.17754 0.82410 1.00000
Zn3 Zn 0.86152 0.35017 0.92679 1.00000
Zn4 Zn 0.66629 0.18424 0.48318 1.00000
Zn5 Zn 0.13848 0.64983 0.07321 1.00000
Zn6 Zn 0.00000 0.00000 0.00000 1.00000
Zn7 Zn 0.50082 0.82246 0.17590 1.00000
Au1 Au 0.65541 0.47801 0.21117 1.00000
Au2 Au 0.34459 0.52199 0.78883 1.00000
Au3 Au 0.87313 0.90970 0.34403 1.00000
Au4 Au 0.12687 0.09030 0.65597 1.00000
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