Tl8In3Sn2
Alexandria ALEXAlex-ID: agm005640056 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_455_spg12
Tl6In Sn In
2023-06-15 22:49:09.608036
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005640056).
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 agm005640056
data_agm005640056
_cell_length_a 8.94042
_cell_length_b 9.00731
_cell_length_c 9.00731
_cell_angle_alpha 63.16207
_cell_angle_beta 48.49686
_cell_angle_gamma 48.49685
_cell_volume 406.73592
_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
Tl1 Tl 0.08187 0.63742 0.63742 1.00000
Tl2 Tl 0.91813 0.36258 0.36258 1.00000
Tl3 Tl 0.05133 0.08630 0.08630 1.00000
Tl4 Tl 0.94867 0.91370 0.91370 1.00000
Tl5 Tl 0.58135 0.55935 0.14460 1.00000
Tl6 Tl 0.58135 0.14460 0.55935 1.00000
Tl7 Tl 0.41865 0.85540 0.44065 1.00000
Tl8 Tl 0.41865 0.44065 0.85540 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
In2 In 1.00000 0.29410 0.70590 1.00000
In3 In 0.00000 0.70590 0.29410 1.00000
Sn1 Sn 0.42891 0.26012 0.26012 1.00000
Sn2 Sn 0.57109 0.73988 0.73988 1.00000
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