Sr(Tl2Sn)6
Alexandria ALEXAlex-ID: agm006111266 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_25_spg166
Tl17Sn12 SrSn3 Tl
2023-08-30 01:05:21.086222
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111266).
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 agm006111266
data_agm006111266
_cell_length_a 8.65906
_cell_length_b 8.65906
_cell_length_c 8.65905
_cell_angle_alpha 101.95978
_cell_angle_beta 101.95978
_cell_angle_gamma 101.95977
_cell_volume 599.76588
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.57855 0.18972 0.58185 1.00000
Tl2 Tl 0.18972 0.58185 0.57855 1.00000
Tl3 Tl 0.58185 0.57855 0.18972 1.00000
Tl4 Tl 0.42145 0.81028 0.41815 1.00000
Tl5 Tl 0.81028 0.41815 0.42145 1.00000
Tl6 Tl 0.41815 0.42145 0.81028 1.00000
Tl7 Tl 0.23720 0.99469 0.70765 1.00000
Tl8 Tl 0.29235 0.76280 0.00531 1.00000
Tl9 Tl 0.00531 0.29235 0.76280 1.00000
Tl10 Tl 0.76280 0.00531 0.29235 1.00000
Tl11 Tl 0.70765 0.23720 0.99469 1.00000
Tl12 Tl 0.99469 0.70765 0.23720 1.00000
Sn1 Sn 0.18312 0.19103 0.41844 1.00000
Sn2 Sn 0.80897 0.58156 0.81688 1.00000
Sn3 Sn 0.58156 0.81688 0.80897 1.00000
Sn4 Sn 0.81688 0.80897 0.58156 1.00000
Sn5 Sn 0.19103 0.41844 0.18312 1.00000
Sn6 Sn 0.41844 0.18312 0.19103 1.00000
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