Tl6Ga2Sn
Alexandria ALEXAlex-ID: agm005770069 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1484_spg15
Tl Ga Tl17Sn12
2023-07-07 05:28:19.402119
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005770069).
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 agm005770069
data_agm005770069
_cell_length_a 5.82900
_cell_length_b 9.57389
_cell_length_c 9.57389
_cell_angle_alpha 99.93760
_cell_angle_beta 98.47088
_cell_angle_gamma 98.47089
_cell_volume 512.27981
_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 0.53552 0.36581 0.76561 1.00000
Tl2 Tl 0.96448 0.23439 0.63419 1.00000
Tl3 Tl 0.46448 0.63419 0.23439 1.00000
Tl4 Tl 0.03552 0.76561 0.36581 1.00000
Tl5 Tl 0.65039 0.89204 0.57153 1.00000
Tl6 Tl 0.84961 0.42847 0.10796 1.00000
Tl7 Tl 0.34961 0.10796 0.42847 1.00000
Tl8 Tl 0.15039 0.57153 0.89204 1.00000
Tl9 Tl 0.30060 0.24775 0.06502 1.00000
Tl10 Tl 0.19940 0.93498 0.75225 1.00000
Tl11 Tl 0.69940 0.75225 0.93498 1.00000
Tl12 Tl 0.80060 0.06502 0.24775 1.00000
Ga1 Ga 0.14104 0.39772 0.38603 1.00000
Ga2 Ga 0.35896 0.61397 0.60228 1.00000
Ga3 Ga 0.85896 0.60228 0.61397 1.00000
Ga4 Ga 0.64104 0.38603 0.39772 1.00000
Sn1 Sn 0.25000 0.90811 0.09189 1.00000
Sn2 Sn 0.75000 0.09189 0.90811 1.00000
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