Sn6SbTe3As2
Alexandria ALEXAlex-ID: agm004635363 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Sn4Sb3 SnTe Sn4As3 Sb
2022-06-26 07:10:23.181763
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635363).
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 agm004635363
data_agm004635363
_cell_length_a 7.43779
_cell_length_b 7.43779
_cell_length_c 7.64017
_cell_angle_alpha 99.35458
_cell_angle_beta 99.35458
_cell_angle_gamma 119.48076
_cell_volume 348.26777
_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 0.92286 0.57493 0.77122 1.00000
Sn2 Sn 0.72531 0.72531 0.22210 1.00000
Sn3 Sn 0.07714 0.42507 0.22878 1.00000
Sn4 Sn 0.57493 0.92286 0.77122 1.00000
Sn5 Sn 0.27469 0.27469 0.77790 1.00000
Sn6 Sn 0.42507 0.07714 0.22878 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.16225 0.83775 0.50000 1.00000
Te2 Te 0.83775 0.16225 0.50000 1.00000
Te3 Te 0.50000 0.50000 0.50000 1.00000
As1 As 0.33236 0.66764 0.00000 1.00000
As2 As 0.66764 0.33236 0.00000 1.00000
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