K(TlSn3)2
Alexandria ALEXAlex-ID: agm005606813 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_650_spg65
Tl17Sn12 K4Sn23 Tl
2023-07-08 07:29:35.135267
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606813).
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 agm005606813
data_agm005606813
_cell_length_a 3.33476
_cell_length_b 9.53552
_cell_length_c 9.53556
_cell_angle_alpha 120.00002
_cell_angle_beta 89.99950
_cell_angle_gamma 90.00023
_cell_volume 262.59473
_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
K1 K 0.00000 0.00000 1.00000 1.00000
Tl1 Tl 0.00000 0.33333 0.66667 1.00000
Tl2 Tl 1.00000 0.66667 0.33333 1.00000
Sn1 Sn 0.50000 0.34075 0.34075 1.00000
Sn2 Sn 0.50000 0.65925 0.65925 1.00000
Sn3 Sn 0.50000 0.00000 0.65925 1.00000
Sn4 Sn 0.50000 0.65925 1.00000 1.00000
Sn5 Sn 0.50000 0.34075 0.00000 1.00000
Sn6 Sn 0.50000 1.00000 0.34075 1.00000
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