Tl5(Sb2Pb)2
Alexandria ALEXAlex-ID: agm005675749 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_468_spg12
Tl2Sb TlSbPb Sb
2023-06-22 14:21:24.805255
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005675749).
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 agm005675749
data_agm005675749
_cell_length_a 4.62544
_cell_length_b 7.64446
_cell_length_c 14.26351
_cell_angle_alpha 52.43400
_cell_angle_beta 99.33124
_cell_angle_gamma 89.99998
_cell_volume 391.31485
_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 0.75335 0.73215 0.50670 1.00000
Tl2 Tl 0.24665 0.26785 0.49330 1.00000
Tl3 Tl 0.87983 0.05039 0.75967 1.00000
Tl4 Tl 0.50000 0.00000 0.00000 1.00000
Tl5 Tl 0.12017 0.94961 0.24033 1.00000
Sb1 Sb 0.33921 0.40006 0.67843 1.00000
Sb2 Sb 0.02745 0.60722 0.05491 1.00000
Sb3 Sb 0.66079 0.59994 0.32157 1.00000
Sb4 Sb 0.97255 0.39278 0.94509 1.00000
Pb1 Pb 0.38473 0.66740 0.76947 1.00000
Pb2 Pb 0.61527 0.33260 0.23053 1.00000
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