Sn4Sb2I3
Alexandria ALEXAlex-ID: agm005693004 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Sn4Sb3 Sb SnI2
2023-06-28 23:03:47.485860
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693004).
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 agm005693004
data_agm005693004
_cell_length_a 4.45999
_cell_length_b 4.45999
_cell_length_c 19.01091
_cell_angle_alpha 89.97469
_cell_angle_beta 90.02532
_cell_angle_gamma 120.00368
_cell_volume 327.47968
_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 0.33384 0.66616 0.87821 1.00000
Sn2 Sn 0.99991 0.00009 0.30070 1.00000
Sn3 Sn 0.00009 0.99991 0.69930 1.00000
Sn4 Sn 0.66616 0.33384 0.12179 1.00000
Sb1 Sb 0.66696 0.33304 0.79462 1.00000
Sb2 Sb 0.33304 0.66696 0.20538 1.00000
I1 I 0.66668 0.33332 0.40335 1.00000
I2 I 0.00000 0.00000 0.00000 1.00000
I3 I 0.33332 0.66668 0.59665 1.00000
Get direct link