Sb2Te4Pb
Alexandria ALEXAlex-ID: agm003454172 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_731_spg63
Sb2Te3 TePb
2022-02-19 11:03:00.892789
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003454172).
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 agm003454172
data_agm003454172
_cell_length_a 4.39145
_cell_length_b 7.58764
_cell_length_c 15.19914
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.82095
_cell_volume 484.77725
_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
Sb1 Sb 0.14053 0.28106 0.44034 1.00000
Sb2 Sb 0.85947 0.71894 0.94034 1.00000
Sb3 Sb 0.14053 0.28106 0.05966 1.00000
Sb4 Sb 0.85947 0.71894 0.55966 1.00000
Te1 Te 0.77221 0.54441 0.12020 1.00000
Te2 Te 0.77221 0.54441 0.37980 1.00000
Te3 Te 0.22779 0.45559 0.87980 1.00000
Te4 Te 0.22779 0.45559 0.62020 1.00000
Te5 Te 0.93897 0.87794 0.75000 1.00000
Te6 Te 0.06103 0.12206 0.25000 1.00000
Te7 Te 0.50000 0.00000 0.00000 1.00000
Te8 Te 0.50000 0.00000 0.50000 1.00000
Pb1 Pb 0.58519 0.17039 0.75000 1.00000
Pb2 Pb 0.41481 0.82961 0.25000 1.00000
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