Tl2CuSn3
Alexandria ALEXAlex-ID: agm012385103 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1899_spg71
Sn Cu Tl17Sn12
2025-04-13 21:44:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012385103).
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
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# CIF generated by HEAS from Alexandria entry agm012385103
data_agm012385103
_cell_length_a 6.37438
_cell_length_b 6.22070
_cell_length_c 9.30392
_cell_angle_alpha 66.78752
_cell_angle_beta 73.66471
_cell_angle_gamma 84.61881
_cell_volume 325.31554
_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 0.27143 0.68320 0.42687 1.00000
Tl2 Tl 0.27541 0.84467 0.02356 1.00000
Tl3 Tl 0.72855 0.31679 0.57315 1.00000
Tl4 Tl 0.72458 0.15533 0.97645 1.00000
Cu1 Cu 0.54323 0.82721 0.62254 1.00000
Cu2 Cu 0.45678 0.17279 0.37745 1.00000
Sn1 Sn 0.82121 0.71809 0.80502 1.00000
Sn2 Sn 0.73718 0.53824 0.17807 1.00000
Sn3 Sn 0.17880 0.28190 0.19499 1.00000
Sn4 Sn 0.26284 0.46176 0.82193 1.00000
Sn5 Sn 0.18909 0.09163 0.67327 1.00000
Sn6 Sn 0.81092 0.90838 0.32671 1.00000
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