Tl6BiPb2
Alexandria ALEXAlex-ID: agm005652537 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3405_spg12
Tl5Bi Tl2Bi TlPb
2023-07-09 20:49:55.144999
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652537).
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 agm005652537
data_agm005652537
_cell_length_a 7.70159
_cell_length_b 6.33422
_cell_length_c 8.55069
_cell_angle_alpha 86.54124
_cell_angle_beta 84.30558
_cell_angle_gamma 52.55962
_cell_volume 329.56348
_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 0.94680 0.60813 0.79873 1.00000
Tl2 Tl 0.55492 0.39187 0.79873 1.00000
Tl3 Tl 0.39589 1.00000 0.84201 1.00000
Tl4 Tl 0.44508 0.60813 0.20127 1.00000
Tl5 Tl 0.05320 0.39187 0.20127 1.00000
Tl6 Tl 0.60411 0.00000 0.15799 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.34001 0.31998 0.50000 1.00000
Pb2 Pb 0.65999 0.68002 0.50000 1.00000
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