K2SnSe9
Alexandria ALEXAlex-ID: agm102010728 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_260_spg12
K2SnSe3 Se
2025-05-19 20:27:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102010728).
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 agm102010728
data_agm102010728
_cell_length_a 5.50043
_cell_length_b 9.24374
_cell_length_c 9.29505
_cell_angle_alpha 124.33078
_cell_angle_beta 85.63640
_cell_angle_gamma 94.25898
_cell_volume 388.85991
_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
K1 K 0.36641 0.70552 0.35320 1.00000
K2 K 0.63791 0.35004 0.70685 1.00000
Sn1 Sn 0.00677 0.97498 0.97488 1.00000
Se1 Se 0.78897 0.81688 0.15110 1.00000
Se2 Se 0.98031 0.41420 0.02064 1.00000
Se3 Se 0.00382 0.47101 0.47225 1.00000
Se4 Se 0.74261 0.36281 0.22280 1.00000
Se5 Se 0.19469 0.15445 0.81051 1.00000
Se6 Se 0.25989 0.21842 0.36483 1.00000
Se7 Se 0.33796 0.70159 0.80470 1.00000
Se8 Se 0.00966 0.01629 0.41043 1.00000
Se9 Se 0.67099 0.81382 0.70781 1.00000
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