CeSnH6
Alexandria ALEXAlex-ID: agm080223355 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_25_spg2
SnH2 CeH3 H2
2025-06-26 05:37:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080223355).
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 agm080223355
data_agm080223355
_cell_length_a 6.06411
_cell_length_b 6.06339
_cell_length_c 4.68086
_cell_angle_alpha 62.41204
_cell_angle_beta 117.58700
_cell_angle_gamma 139.27730
_cell_volume 97.62959
_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
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
H1 H 0.53936 0.98090 0.97752 1.00000
H2 H 0.46064 0.01910 0.02248 1.00000
H3 H 0.01909 0.46063 0.97757 1.00000
H4 H 0.98091 0.53937 0.02243 1.00000
H5 H 0.09767 0.90226 0.51454 1.00000
H6 H 0.90233 0.09774 0.48546 1.00000
Get direct link