Sn2H5Au2
Alexandria ALEXAlex-ID: agm007287043 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_670_spg38
H2 SnAu
2024-08-14 03:21:22.425044
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007287043).
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 agm007287043
data_agm007287043
_cell_length_a 4.51669
_cell_length_b 6.65280
_cell_length_c 5.37932
_cell_angle_alpha 99.28563
_cell_angle_beta 96.57800
_cell_angle_gamma 123.62490
_cell_volume 128.67780
_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
Sn1 Sn 0.45976 0.19117 0.89827 1.00000
Sn2 Sn 0.54024 0.80883 0.10173 1.00000
H1 H 0.42090 0.31585 0.31093 1.00000
H2 H 0.57910 0.68415 0.68907 1.00000
H3 H 0.78206 0.11159 0.51482 1.00000
H4 H 0.21794 0.88841 0.48518 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.17379 0.39750 0.61902 1.00000
Au2 Au 0.82621 0.60250 0.38098 1.00000
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