Tl3SbPb
Alexandria ALEXAlex-ID: agm003708564 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1665_spg5
Tl5Sb TlSbPb TlPb
2022-04-17 13:53:30.891956
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003708564).
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 agm003708564
data_agm003708564
_cell_length_a 6.99400
_cell_length_b 6.99400
_cell_length_c 8.83830
_cell_angle_alpha 100.47490
_cell_angle_beta 126.36505
_cell_angle_gamma 91.20171
_cell_volume 337.78050
_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 0.75975 0.91644 0.18347 1.00000
Tl2 Tl 0.26703 0.42372 0.18347 1.00000
Tl3 Tl 0.73297 0.57628 0.81653 1.00000
Tl4 Tl 0.77855 0.42735 0.20590 1.00000
Tl5 Tl 0.24025 0.08356 0.81653 1.00000
Tl6 Tl 0.22145 0.57265 0.79410 1.00000
Sb1 Sb 0.74697 0.76312 0.51009 1.00000
Sb2 Sb 0.25303 0.23688 0.48991 1.00000
Pb1 Pb 0.72593 0.07653 0.80246 1.00000
Pb2 Pb 0.27407 0.92347 0.19754 1.00000
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