Cs2SnH6Au
Alexandria ALEXAlex-ID: agm007568892 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
CsH6Au CsSn
2024-08-14 05:27:30.668509
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007568892).
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 agm007568892
data_agm007568892
_cell_length_a 6.67095
_cell_length_b 6.25640
_cell_length_c 5.99319
_cell_angle_alpha 65.95188
_cell_angle_beta 58.92090
_cell_angle_gamma 55.12723
_cell_volume 173.49583
_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
Cs1 Cs 0.74305 0.75695 0.74305 1.00000
Cs2 Cs 0.24305 0.25695 0.24305 1.00000
Sn1 Sn 0.00475 0.99525 0.00475 1.00000
H1 H 0.20043 0.19958 0.80042 1.00000
H2 H 0.25362 0.74638 0.25362 1.00000
H3 H 0.80042 0.79957 0.20043 1.00000
H4 H 0.72781 0.27219 0.27077 1.00000
H5 H 0.80076 0.19924 0.80076 1.00000
H6 H 0.27077 0.72923 0.72781 1.00000
Au1 Au 0.45766 0.54234 0.45766 1.00000
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