K6SnI8
Alexandria ALEXAlex-ID: agm005996918 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_96_spg148
K6SnI8
2023-08-31 05:25:48.043653
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996918).
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 agm005996918
data_agm005996918
_cell_length_a 9.30485
_cell_length_b 9.30485
_cell_length_c 9.30485
_cell_angle_alpha 69.12578
_cell_angle_beta 69.12578
_cell_angle_gamma 69.12579
_cell_volume 678.62848
_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 0.05996 0.47535 0.69643 1.00000
K2 K 0.30357 0.94004 0.52465 1.00000
K3 K 0.52465 0.30357 0.94004 1.00000
K4 K 0.47535 0.69643 0.05996 1.00000
K5 K 0.69643 0.05996 0.47535 1.00000
K6 K 0.94004 0.52465 0.30357 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
I1 I 0.16679 0.66888 0.90036 1.00000
I2 I 0.09964 0.83321 0.33112 1.00000
I3 I 0.33112 0.09964 0.83321 1.00000
I4 I 0.66105 0.66105 0.66105 1.00000
I5 I 0.33895 0.33895 0.33895 1.00000
I6 I 0.66888 0.90036 0.16679 1.00000
I7 I 0.90036 0.16679 0.66888 1.00000
I8 I 0.83321 0.33112 0.09964 1.00000
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