K3(InSn2)2
Alexandria ALEXAlex-ID: agm005673797 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_728_spg12
KInSn K4Sn9 KSn
2023-06-27 06:56:44.393686
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673797).
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 agm005673797
data_agm005673797
_cell_length_a 4.85481
_cell_length_b 7.36455
_cell_length_c 12.07937
_cell_angle_alpha 55.98096
_cell_angle_beta 78.40721
_cell_angle_gamma 70.75509
_cell_volume 337.88535
_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 0.33652 0.66351 0.66345 1.00000
K2 K 0.00000 0.00000 0.00000 1.00000
K3 K 0.66348 0.33649 0.33655 1.00000
In1 In 0.40395 0.92970 0.26240 1.00000
In2 In 0.59605 0.07030 0.73760 1.00000
Sn1 Sn 0.25419 0.41231 0.07932 1.00000
Sn2 Sn 0.74581 0.58769 0.92068 1.00000
Sn3 Sn 0.07266 0.25907 0.59561 1.00000
Sn4 Sn 0.92734 0.74093 0.40439 1.00000
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