Tl5(SnPb2)2
Alexandria ALEXAlex-ID: agm005642196 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_491_spg12
Tl17Sn12 Sn TlPb
2023-06-22 18:48:43.497993
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642196).
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 agm005642196
data_agm005642196
_cell_length_a 3.55464
_cell_length_b 15.33260
_cell_length_c 9.39525
_cell_angle_alpha 125.00969
_cell_angle_beta 78.22243
_cell_angle_gamma 70.18721
_cell_volume 337.69454
_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 0.49238 0.82255 0.54921 1.00000
Tl2 Tl 0.50762 0.17745 0.45079 1.00000
Tl3 Tl 0.48522 0.27813 0.18787 1.00000
Tl4 Tl 0.50000 0.00000 0.00000 1.00000
Tl5 Tl 0.51478 0.72187 0.81213 1.00000
Sn1 Sn 0.50014 0.63433 0.09107 1.00000
Sn2 Sn 0.49986 0.36567 0.90893 1.00000
Pb1 Pb 0.51256 0.54434 0.34160 1.00000
Pb2 Pb 0.51177 0.90039 0.27466 1.00000
Pb3 Pb 0.48744 0.45566 0.65840 1.00000
Pb4 Pb 0.48823 0.09961 0.72534 1.00000
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