K8Sn6Se
Alexandria ALEXAlex-ID: agm072147384 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_124_spg148
KSn K2Se
2024-10-06 14:57:26.520584
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072147384).
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 agm072147384
data_agm072147384
_cell_length_a 8.60465
_cell_length_b 8.60465
_cell_length_c 8.60465
_cell_angle_alpha 86.46272
_cell_angle_beta 86.46272
_cell_angle_gamma 86.46272
_cell_volume 633.58985
_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 0.22161 0.22161 0.22161 1.00000
K2 K 0.77839 0.77839 0.77839 1.00000
K3 K 0.77299 0.07774 0.32641 1.00000
K4 K 0.32641 0.77299 0.07774 1.00000
K5 K 0.07774 0.32641 0.77299 1.00000
K6 K 0.22701 0.92226 0.67359 1.00000
K7 K 0.67359 0.22701 0.92226 1.00000
K8 K 0.92226 0.67359 0.22701 1.00000
Sn1 Sn 0.25027 0.58318 0.45795 1.00000
Sn2 Sn 0.45795 0.25027 0.58318 1.00000
Sn3 Sn 0.58318 0.45795 0.25027 1.00000
Sn4 Sn 0.74973 0.41682 0.54205 1.00000
Sn5 Sn 0.54205 0.74973 0.41682 1.00000
Sn6 Sn 0.41682 0.54205 0.74973 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
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