InSn2Se2Cl3
Alexandria ALEXAlex-ID: agm007055596 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3_45_spg14
SnCl2 SnSe In2Se3
2023-12-27 00:39:11.941850
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007055596).
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 agm007055596
data_agm007055596
_cell_length_a 6.61240
_cell_length_b 17.51160
_cell_length_c 8.39497
_cell_angle_alpha 90.00000
_cell_angle_beta 108.91044
_cell_angle_gamma 90.00000
_cell_volume 919.61796
_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
Cl1 Cl 0.16262 0.62157 0.56765 1.00000
Cl2 Cl 0.83738 0.37843 0.43235 1.00000
Cl3 Cl 0.83738 0.12157 0.93235 1.00000
Cl4 Cl 0.16262 0.87843 0.06765 1.00000
Cl5 Cl 0.18584 0.62569 0.00865 1.00000
Cl6 Cl 0.81416 0.37431 0.99135 1.00000
Cl7 Cl 0.81416 0.12569 0.49135 1.00000
Cl8 Cl 0.18584 0.87431 0.50865 1.00000
Cl9 Cl 0.26737 0.24810 0.31124 1.00000
Cl10 Cl 0.73263 0.75190 0.68876 1.00000
Cl11 Cl 0.73263 0.74810 0.18876 1.00000
Cl12 Cl 0.26737 0.25190 0.81124 1.00000
Sn1 Sn 0.22844 0.50986 0.32298 1.00000
Sn2 Sn 0.77156 0.49014 0.67702 1.00000
Sn3 Sn 0.77156 0.00986 0.17702 1.00000
Sn4 Sn 0.22844 0.99014 0.82298 1.00000
Sn5 Sn 0.46585 0.72581 0.88590 1.00000
Sn6 Sn 0.53415 0.27419 0.11410 1.00000
Sn7 Sn 0.53415 0.22581 0.61410 1.00000
Sn8 Sn 0.46585 0.77419 0.38590 1.00000
Se1 Se 0.34524 0.07811 0.58723 1.00000
Se2 Se 0.65476 0.92189 0.41277 1.00000
Se3 Se 0.65476 0.57811 0.91277 1.00000
Se4 Se 0.34524 0.42189 0.08723 1.00000
Se5 Se 0.39182 0.08149 0.09897 1.00000
Se6 Se 0.60818 0.91851 0.90103 1.00000
Se7 Se 0.60818 0.58149 0.40103 1.00000
Se8 Se 0.39182 0.41851 0.59897 1.00000
In1 In 0.25898 0.51586 0.80784 1.00000
In2 In 0.74102 0.48414 0.19216 1.00000
In3 In 0.74102 0.01586 0.69216 1.00000
In4 In 0.25898 0.98414 0.30784 1.00000
