Th3(SnH)2
Alexandria ALEXAlex-ID: agm006245348 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_3139_spg14
ThSn2 ThH3 Th5Sn4
2024-02-20 23:08:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006245348).
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 agm006245348
data_agm006245348
_cell_length_a 6.15886
_cell_length_b 6.50161
_cell_length_c 8.55549
_cell_angle_alpha 67.82674
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 317.24828
_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
Th1 Th 0.38713 0.84916 0.21947 1.00000
Th2 Th 0.88713 0.15084 0.28053 1.00000
Th3 Th 0.61287 0.15084 0.78053 1.00000
Th4 Th 0.11287 0.84916 0.71947 1.00000
Th5 Th 0.00000 0.50000 0.50000 1.00000
Th6 Th 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.90061 0.74003 0.10235 1.00000
Sn2 Sn 0.40061 0.25997 0.39765 1.00000
Sn3 Sn 0.09939 0.25997 0.89765 1.00000
Sn4 Sn 0.59939 0.74003 0.60235 1.00000
H1 H 0.12149 0.85812 0.43380 1.00000
H2 H 0.62149 0.14188 0.06620 1.00000
H3 H 0.87851 0.14188 0.56620 1.00000
H4 H 0.37851 0.85812 0.93380 1.00000
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