Y2ZnH6Au
Alexandria ALEXAlex-ID: agm007183606 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_438_spg1
YH3 ZnAu
2025-04-29 17:52:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007183606).
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 agm007183606
data_agm007183606
_cell_length_a 5.48373
_cell_length_b 5.48373
_cell_length_c 5.80321
_cell_angle_alpha 71.72677
_cell_angle_beta 108.27323
_cell_angle_gamma 132.70585
_cell_volume 120.49138
_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 0.81361 0.18639 0.29937 1.00000
Y2 Y 0.31383 0.68617 0.80771 1.00000
Zn1 Zn 0.57063 0.42937 0.56715 1.00000
H1 H 0.69547 0.81309 0.63569 1.00000
H2 H 0.18691 0.30453 0.63569 1.00000
H3 H 0.23715 0.76285 0.14089 1.00000
H4 H 0.72015 0.27985 0.85713 1.00000
H5 H 0.68735 0.81101 0.12833 1.00000
H6 H 0.18899 0.31265 0.12833 1.00000
Au1 Au 0.10470 0.89530 0.29158 1.00000
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