Th3Te2Pb
Alexandria ALEXAlex-ID: agm005651262 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4_spg71
ThTe Th5Pb4 ThTePb
2023-08-25 06:08:21.845987
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651262).
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 agm005651262
data_agm005651262
_cell_length_a 4.64525
_cell_length_b 6.37307
_cell_length_c 7.70272
_cell_angle_alpha 115.16320
_cell_angle_beta 107.55031
_cell_angle_gamma 89.99882
_cell_volume 194.60405
_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
Th1 Th 0.83070 0.32491 0.16138 1.00000
Th2 Th 0.16930 0.67509 0.83862 1.00000
Th3 Th 0.50000 0.00000 0.50000 1.00000
Te1 Te 0.83482 0.82954 0.16965 1.00000
Te2 Te 0.16518 0.17046 0.83035 1.00000
Pb1 Pb 0.50000 0.50000 0.50000 1.00000
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