Sn4Sb2Br3
Alexandria ALEXAlex-ID: agm005692336 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_129_spg156
Sn4Sb3 Sb SnBr2
2023-06-26 18:26:26.470530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692336).
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 agm005692336
data_agm005692336
_cell_length_a 4.39267
_cell_length_b 4.39267
_cell_length_c 18.08475
_cell_angle_alpha 90.07945
_cell_angle_beta 89.92055
_cell_angle_gamma 119.98902
_cell_volume 302.23760
_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 0.33453 0.66547 0.88136 1.00000
Sn2 Sn 0.99742 0.00258 0.31120 1.00000
Sn3 Sn 0.00258 0.99742 0.68880 1.00000
Sn4 Sn 0.66547 0.33453 0.11864 1.00000
Sb1 Sb 0.66804 0.33196 0.79232 1.00000
Sb2 Sb 0.33196 0.66804 0.20768 1.00000
Br1 Br 0.66504 0.33495 0.40451 1.00000
Br2 Br 0.00000 0.00000 0.00000 1.00000
Br3 Br 0.33496 0.66505 0.59549 1.00000
Get direct link