Tl3Sb2Pb5
Alexandria ALEXAlex-ID: agm003344762 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_91_spg72
Tl2Pb7 TlSbPb TlPb
2022-02-02 13:45:47.197717
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003344762).
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 agm003344762
data_agm003344762
_cell_length_a 6.94937
_cell_length_b 10.70066
_cell_length_c 10.70066
_cell_angle_alpha 83.94604
_cell_angle_beta 71.05161
_cell_angle_gamma 71.05158
_cell_volume 711.82868
_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 0.25000 0.00000 0.00000 1.00000
Tl2 Tl 0.75000 0.00000 0.00000 1.00000
Tl3 Tl 0.35948 0.38289 0.89814 1.00000
Tl4 Tl 0.64052 0.61711 0.10186 1.00000
Tl5 Tl 0.85948 0.89814 0.38289 1.00000
Tl6 Tl 0.14052 0.10186 0.61711 1.00000
Sb1 Sb 0.13082 0.73245 0.00591 1.00000
Sb2 Sb 0.86918 0.26755 0.99409 1.00000
Sb3 Sb 0.63082 0.00591 0.73245 1.00000
Sb4 Sb 0.36918 0.99409 0.26755 1.00000
Pb1 Pb 0.25000 0.50000 0.50000 1.00000
Pb2 Pb 0.75000 0.50000 0.50000 1.00000
Pb3 Pb 0.50543 0.74457 0.74457 1.00000
Pb4 Pb 0.99457 0.25543 0.25543 1.00000
Pb5 Pb 0.49457 0.25543 0.25543 1.00000
Pb6 Pb 0.00543 0.74457 0.74457 1.00000
Pb7 Pb 0.12086 0.53035 0.22793 1.00000
Pb8 Pb 0.87914 0.46965 0.77207 1.00000
Pb9 Pb 0.62086 0.22793 0.53035 1.00000
Pb10 Pb 0.37914 0.77207 0.46965 1.00000
