CoSnH6Au
Alexandria ALEXAlex-ID: agm007053547 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_656_spg1
Co3(SnH3)2 SnAu H6Au
2024-01-28 00:03:48.270181
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007053547).
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 agm007053547
data_agm007053547
_cell_length_a 4.66801
_cell_length_b 4.79250
_cell_length_c 5.81533
_cell_angle_alpha 60.69868
_cell_angle_beta 89.96034
_cell_angle_gamma 60.68604
_cell_volume 93.91479
_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
Co1 Co 0.53377 0.65212 0.68973 1.00000
Sn1 Sn 0.94945 0.88262 0.89334 1.00000
H1 H 0.48491 0.35633 0.91287 1.00000
H2 H 0.58216 0.93995 0.41801 1.00000
H3 H 0.66326 0.59131 0.95819 1.00000
H4 H 0.92178 0.41453 0.73523 1.00000
H5 H 0.16301 0.02003 0.57607 1.00000
H6 H 0.30489 0.77533 0.39681 1.00000
Au1 Au 0.39669 0.36795 0.41953 1.00000
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