SnH6OsAu
Alexandria ALEXAlex-ID: agm007005652 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_219_spg1
SnH6Os H6Au Os SnAu
2024-01-28 05:41:17.392545
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007005652).
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 agm007005652
data_agm007005652
_cell_length_a 4.63238
_cell_length_b 5.22956
_cell_length_c 5.41281
_cell_angle_alpha 63.16300
_cell_angle_beta 64.35127
_cell_angle_gamma 59.34782
_cell_volume 97.08355
_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 0.20655 0.79617 0.13071 1.00000
H1 H 0.61075 0.18942 0.27052 1.00000
H2 H 0.01626 0.16570 0.55071 1.00000
H3 H 0.26415 0.24068 0.15867 1.00000
H4 H 0.78975 0.60562 0.41039 1.00000
H5 H 0.91015 0.41509 0.91069 1.00000
H6 H 0.47256 0.39650 0.53973 1.00000
Os1 Os 0.83193 0.35648 0.26618 1.00000
Au1 Au 0.89758 0.83439 0.76258 1.00000
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