SnBiTePb
Alexandria ALEXAlex-ID: agm005198300 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_112_spg8
Sn Bi TePb
2022-08-07 15:52:39.041148
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005198300).
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 agm005198300
data_agm005198300
_cell_length_a 4.58509
_cell_length_b 4.46078
_cell_length_c 9.16245
_cell_angle_alpha 89.96745
_cell_angle_beta 117.90540
_cell_angle_gamma 119.43372
_cell_volume 137.67688
_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
Sn1 Sn 0.29090 0.04370 0.63789 1.00000
Bi1 Bi 0.18206 0.48906 0.84118 1.00000
Te1 Te 0.16444 0.47990 0.36083 1.00000
Pb1 Pb 0.24051 0.01814 0.12976 1.00000
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