Tl5Pb2
Alexandria ALEXAlex-ID: agm011294583 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_219_spg12
TlPb Tl
2024-04-24 16:05:48.402054
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011294583).
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 agm011294583
data_agm011294583
_cell_length_a 8.32207
_cell_length_b 8.32207
_cell_length_c 8.35155
_cell_angle_alpha 66.68456
_cell_angle_beta 66.68456
_cell_angle_gamma 24.24062
_cell_volume 217.14599
_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 0.85840 0.85840 0.42496 1.00000
Tl2 Tl 0.14160 0.14160 0.57504 1.00000
Tl3 Tl 0.00000 0.00000 0.00000 1.00000
Tl4 Tl 0.42781 0.42781 0.71535 1.00000
Tl5 Tl 0.57219 0.57219 0.28465 1.00000
Pb1 Pb 0.28333 0.28333 0.14301 1.00000
Pb2 Pb 0.71667 0.71667 0.85699 1.00000
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