K2In12Sn7
Alexandria ALEXAlex-ID: agm005672764 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_5_spg147
K4Sn23 K4Sn9 In
2023-06-21 09:08:16.433646
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672764).
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 agm005672764
data_agm005672764
_cell_length_a 4.63330
_cell_length_b 12.69563
_cell_length_c 12.69566
_cell_angle_alpha 120.00006
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 646.74027
_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 0.24303 0.33333 0.66667 1.00000
K2 K 0.75697 0.66667 0.33333 1.00000
In1 In 0.24151 0.62665 0.06594 1.00000
In2 In 0.24151 0.43929 0.37334 1.00000
In3 In 0.24151 0.93406 0.56071 1.00000
In4 In 0.75849 0.37335 0.93406 1.00000
In5 In 0.75849 0.56071 0.62666 1.00000
In6 In 0.75849 0.06594 0.43929 1.00000
In7 In 0.22566 0.11389 0.25156 1.00000
In8 In 0.22566 0.13767 0.88611 1.00000
In9 In 0.22566 0.74844 0.86233 1.00000
In10 In 0.77434 0.88611 0.74844 1.00000
In11 In 0.77434 0.86233 0.11389 1.00000
In12 In 0.77434 0.25156 0.13767 1.00000
Sn1 Sn 0.50000 0.00000 0.00000 1.00000
Sn2 Sn 0.26683 0.88933 0.29595 1.00000
Sn3 Sn 0.26683 0.40662 0.11067 1.00000
Sn4 Sn 0.26683 0.70405 0.59337 1.00000
Sn5 Sn 0.73317 0.11067 0.70405 1.00000
Sn6 Sn 0.73317 0.59338 0.88933 1.00000
Sn7 Sn 0.73317 0.29595 0.40663 1.00000
