Tl2(In2Pb)3
Alexandria ALEXAlex-ID: agm005590656 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_170_spg166
Tl2Pb7 In TlPb
2023-06-12 12:22:44.779223
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005590656).
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 agm005590656
data_agm005590656
_cell_length_a 3.42003
_cell_length_b 3.42003
_cell_length_c 31.85128
_cell_angle_alpha 86.92244
_cell_angle_beta 86.92245
_cell_angle_gamma 60.00000
_cell_volume 322.01828
_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 0.54466 0.54466 0.36602 1.00000
Tl2 Tl 0.45534 0.45534 0.63398 1.00000
In1 In 0.90842 0.90842 0.27475 1.00000
In2 In 0.09158 0.09158 0.72525 1.00000
In3 In 0.81907 0.81907 0.54278 1.00000
In4 In 0.18093 0.18093 0.45722 1.00000
In5 In 0.63594 0.63594 0.09218 1.00000
In6 In 0.36406 0.36406 0.90782 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.72780 0.72780 0.81661 1.00000
Pb3 Pb 0.27220 0.27220 0.18339 1.00000
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