SmTl3(SnSe3)2
Alexandria ALEXAlex-ID: agm004635153 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
TlSn4Se5 Tl2SnSe3 SmTlSe2
2022-06-29 13:26:26.217012
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635153).
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 agm004635153
data_agm004635153
_cell_length_a 7.32103
_cell_length_b 7.32103
_cell_length_c 8.02151
_cell_angle_alpha 98.71949
_cell_angle_beta 98.71949
_cell_angle_gamma 120.23034
_cell_volume 353.85469
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.16340 0.83660 0.50000 1.00000
Tl2 Tl 0.83660 0.16340 0.50000 1.00000
Tl3 Tl 0.50000 0.50000 0.50000 1.00000
Sn1 Sn 0.33298 0.66702 0.00000 1.00000
Sn2 Sn 0.66702 0.33298 0.00000 1.00000
Se1 Se 0.92889 0.59155 0.78884 1.00000
Se2 Se 0.72912 0.72912 0.20570 1.00000
Se3 Se 0.07111 0.40845 0.21116 1.00000
Se4 Se 0.59155 0.92889 0.78884 1.00000
Se5 Se 0.27088 0.27088 0.79430 1.00000
Se6 Se 0.40845 0.07111 0.21116 1.00000
Get direct link