Tl3(Te2Pb)2
Alexandria ALEXAlex-ID: agm005664029 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_399_spg71
Tl4Te3Pb Tl2Te3 TePb
2023-06-29 05:37:04.426009
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005664029).
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
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# CIF generated by HEAS from Alexandria entry agm005664029
data_agm005664029
_cell_length_a 6.32730
_cell_length_b 6.47638
_cell_length_c 9.09502
_cell_angle_alpha 108.62181
_cell_angle_beta 112.78716
_cell_angle_gamma 91.53427
_cell_volume 320.75349
_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 0.22427 0.58317 0.22278 1.00000
Tl2 Tl 0.77573 0.41683 0.77722 1.00000
Tl3 Tl 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.49325 0.74140 0.99527 1.00000
Te2 Te 0.24982 0.22489 0.44876 1.00000
Te3 Te 0.50675 0.25860 0.00473 1.00000
Te4 Te 0.75018 0.77511 0.55124 1.00000
Pb1 Pb 0.70781 0.12215 0.35560 1.00000
Pb2 Pb 0.29219 0.87785 0.64440 1.00000
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