Tl(BiPb3)2
Alexandria ALEXAlex-ID: agm003482012 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_669_spg12
Tl3(Bi2Pb)2 Pb Bi
2022-03-12 03:33:39.500947
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003482012).
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 agm003482012
data_agm003482012
_cell_length_a 3.50662
_cell_length_b 8.23610
_cell_length_c 10.58241
_cell_angle_alpha 78.40192
_cell_angle_beta 80.46316
_cell_angle_gamma 77.70873
_cell_volume 290.10574
_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 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.34308 0.01605 0.29779 1.00000
Bi2 Bi 0.65692 0.98395 0.70221 1.00000
Pb1 Pb 0.76750 0.35827 0.10674 1.00000
Pb2 Pb 0.23250 0.64173 0.89326 1.00000
Pb3 Pb 0.37479 0.69810 0.55232 1.00000
Pb4 Pb 0.04678 0.65212 0.25432 1.00000
Pb5 Pb 0.95322 0.34788 0.74568 1.00000
Pb6 Pb 0.62521 0.30190 0.44768 1.00000
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