K2NaSn6
Alexandria ALEXAlex-ID: agm005693103 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_687_spg164
K4Sn23 K4Sn9 NaSn
2023-07-08 20:02:52.220436
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693103).
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 agm005693103
data_agm005693103
_cell_length_a 7.08229
_cell_length_b 6.88092
_cell_length_c 6.88581
_cell_angle_alpha 119.97651
_cell_angle_beta 89.92800
_cell_angle_gamma 89.99998
_cell_volume 290.67535
_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 0.13947 0.66657 0.33313 1.00000
K2 K 0.86053 0.33343 0.66687 1.00000
Na1 Na 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.64917 0.82311 0.17741 1.00000
Sn2 Sn 0.65030 0.82255 0.64510 1.00000
Sn3 Sn 0.64917 0.35430 0.17741 1.00000
Sn4 Sn 0.35083 0.17689 0.82259 1.00000
Sn5 Sn 0.34970 0.17745 0.35490 1.00000
Sn6 Sn 0.35083 0.64570 0.82259 1.00000
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