Tl3GaSn2
Alexandria ALEXAlex-ID: agm005675069 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2457_spg12
Tl Ga Tl17Sn12
2023-08-18 04:24:11.251019
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005675069).
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 agm005675069
data_agm005675069
_cell_length_a 4.30949
_cell_length_b 8.89839
_cell_length_c 10.11466
_cell_angle_alpha 79.19358
_cell_angle_beta 77.69991
_cell_angle_gamma 75.98653
_cell_volume 363.89216
_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 0.08460 0.00266 0.82815 1.00000
Tl2 Tl 0.91540 0.99734 0.17185 1.00000
Tl3 Tl 0.64878 0.71149 0.99094 1.00000
Tl4 Tl 0.35122 0.28851 0.00906 1.00000
Tl5 Tl 0.77431 0.85555 0.59583 1.00000
Tl6 Tl 0.22569 0.14445 0.40417 1.00000
Ga1 Ga 0.39834 0.59041 0.61292 1.00000
Ga2 Ga 0.60166 0.40959 0.38708 1.00000
Sn1 Sn 0.88321 0.45686 0.77671 1.00000
Sn2 Sn 0.11679 0.54314 0.22329 1.00000
Sn3 Sn 0.54776 0.24536 0.65912 1.00000
Sn4 Sn 0.45224 0.75464 0.34088 1.00000
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