KIn5Sn2
Alexandria ALEXAlex-ID: agm003475673 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_54_spg71
KInSn K4Sn9 In
2022-02-20 22:15:05.464971
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003475673).
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 agm003475673
data_agm003475673
_cell_length_a 4.72625
_cell_length_b 7.70977
_cell_length_c 7.70977
_cell_angle_alpha 77.27139
_cell_angle_beta 72.15095
_cell_angle_gamma 72.15095
_cell_volume 252.04914
_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 0.00000 0.00000 0.00000 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
In2 In 0.64524 0.54393 0.16559 1.00000
In3 In 0.35476 0.45607 0.83441 1.00000
In4 In 0.35476 0.83441 0.45607 1.00000
In5 In 0.64524 0.16559 0.54393 1.00000
Sn1 Sn 0.73951 0.76049 0.76049 1.00000
Sn2 Sn 0.26049 0.23951 0.23951 1.00000
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