Li8Tl3Pb2
Alexandria ALEXAlex-ID: agm005644763 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_237_spg12
Li8Pb3 Li3Tl2Pb LiTl
2023-06-16 00:14:33.719564
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644763).
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 agm005644763
data_agm005644763
_cell_length_a 5.12833
_cell_length_b 7.64969
_cell_length_c 7.64969
_cell_angle_alpha 80.23271
_cell_angle_beta 74.59245
_cell_angle_gamma 74.59245
_cell_volume 277.32595
_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
Li1 Li 0.22000 0.57028 0.57028 1.00000
Li2 Li 0.78000 0.42972 0.42972 1.00000
Li3 Li 0.93633 0.16019 0.16019 1.00000
Li4 Li 0.06367 0.83981 0.83981 1.00000
Li5 Li 0.64293 0.59739 0.08653 1.00000
Li6 Li 0.64293 0.08653 0.59739 1.00000
Li7 Li 0.35707 0.91347 0.40261 1.00000
Li8 Li 0.35707 0.40261 0.91347 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Tl2 Tl 0.00000 0.24665 0.75335 1.00000
Tl3 Tl 1.00000 0.75335 0.24665 1.00000
Pb1 Pb 0.35956 0.30501 0.30501 1.00000
Pb2 Pb 0.64044 0.69499 0.69499 1.00000
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