Tl2Pb3
Alexandria ALEXAlex-ID: agm005507465 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_246_spg43
Tl2Pb7 TlPb
2023-03-20 14:58:05.517190
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507465).
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 agm005507465
data_agm005507465
_cell_length_a 14.51781
_cell_length_b 12.24494
_cell_length_c 8.15362
_cell_angle_alpha 88.37760
_cell_angle_beta 57.46945
_cell_angle_gamma 34.15295
_cell_volume 325.39571
_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 0.28118 0.80194 0.36248 1.00000
Tl2 Tl 0.55439 0.36248 0.80194 1.00000
Tl3 Tl 0.44806 0.96882 0.69561 1.00000
Tl4 Tl 0.88752 0.69561 0.96882 1.00000
Pb1 Pb 0.87006 0.32348 0.41678 1.00000
Pb2 Pb 0.38968 0.41678 0.32348 1.00000
Pb3 Pb 0.92652 0.37994 0.86032 1.00000
Pb4 Pb 0.83322 0.86032 0.37994 1.00000
Pb5 Pb 0.90469 0.09531 0.09531 1.00000
Pb6 Pb 0.15469 0.34531 0.34531 1.00000
Get direct link