TiSn2H9
Alexandria ALEXAlex-ID: agm101199899 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_1141_spg6
SnH2 H2 TiH2
2025-06-13 15:57:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101199899).
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 agm101199899
data_agm101199899
_cell_length_a 6.88589
_cell_length_b 3.01839
_cell_length_c 7.93591
_cell_angle_alpha 90.00000
_cell_angle_beta 126.29896
_cell_angle_gamma 90.00000
_cell_volume 132.93360
_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
Ti1 Ti 0.89532 0.00000 0.75255 1.00000
Sn1 Sn 0.52595 0.00000 0.26837 1.00000
Sn2 Sn 0.48261 0.00000 0.80598 1.00000
H1 H 0.04456 0.50000 0.32163 1.00000
H2 H 0.68062 0.00000 0.11775 1.00000
H3 H 0.57435 0.00000 0.58021 1.00000
H4 H 0.05201 0.50000 0.97332 1.00000
H5 H 0.07645 0.50000 0.76056 1.00000
H6 H 0.17149 0.50000 0.35296 1.00000
H7 H 0.90066 0.50000 0.93715 1.00000
H8 H 0.86751 0.00000 0.50621 1.00000
H9 H 0.72848 0.50000 0.62331 1.00000
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