Sn(H2Ru)6
Alexandria ALEXAlex-ID: agm006584591 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_23_spg166
H8Ru3 SnH2Ru Ru
2024-02-26 10:36:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006584591).
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 agm006584591
data_agm006584591
_cell_length_a 5.48439
_cell_length_b 5.48439
_cell_length_c 5.48439
_cell_angle_alpha 104.83457
_cell_angle_beta 104.83457
_cell_angle_gamma 104.83457
_cell_volume 144.73333
_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 0.00000 0.00000 0.00000 1.00000
H1 H 0.82295 0.56325 0.42223 1.00000
H2 H 0.42223 0.82295 0.56325 1.00000
H3 H 0.56325 0.42223 0.82295 1.00000
H4 H 0.17705 0.43675 0.57777 1.00000
H5 H 0.57777 0.17705 0.43675 1.00000
H6 H 0.43675 0.57777 0.17705 1.00000
H7 H 0.01372 0.82862 0.35757 1.00000
H8 H 0.17138 0.64243 0.98628 1.00000
H9 H 0.64243 0.98628 0.17138 1.00000
H10 H 0.98628 0.17138 0.64243 1.00000
H11 H 0.82862 0.35757 0.01372 1.00000
H12 H 0.35757 0.01372 0.82862 1.00000
Ru1 Ru 0.71311 0.85832 0.45567 1.00000
Ru2 Ru 0.54433 0.28689 0.14168 1.00000
Ru3 Ru 0.14168 0.54433 0.28689 1.00000
Ru4 Ru 0.28689 0.14168 0.54433 1.00000
Ru5 Ru 0.45567 0.71311 0.85832 1.00000
Ru6 Ru 0.85832 0.45567 0.71311 1.00000
Get direct link