Tl4Bi2Pb5
Alexandria ALEXAlex-ID: agm005684304 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_433_spg166
TlBiPb Tl2Pb7 Tl2Bi
2023-06-24 09:05:52.602468
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684304).
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 agm005684304
data_agm005684304
_cell_length_a 3.52900
_cell_length_b 3.52900
_cell_length_c 32.45157
_cell_angle_alpha 86.88308
_cell_angle_beta 86.88309
_cell_angle_gamma 60.00000
_cell_volume 349.31024
_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 0.31820 0.31820 0.04539 1.00000
Tl2 Tl 0.41072 0.41072 0.76785 1.00000
Tl3 Tl 0.58928 0.58928 0.23215 1.00000
Tl4 Tl 0.68180 0.68180 0.95461 1.00000
Bi1 Bi 0.86365 0.86365 0.40906 1.00000
Bi2 Bi 0.13635 0.13635 0.59094 1.00000
Pb1 Pb 0.22702 0.22702 0.31894 1.00000
Pb2 Pb 0.37751 0.37751 0.86747 1.00000
Pb3 Pb 0.50000 0.50000 0.50000 1.00000
Pb4 Pb 0.62249 0.62249 0.13253 1.00000
Pb5 Pb 0.77298 0.77298 0.68106 1.00000
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