KGaSn2
Alexandria ALEXAlex-ID: agm005752079 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_469_spg62
K4Sn23 K2Ga5Sn3 K4Sn9
2023-07-12 06:24:02.822389
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752079).
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 agm005752079
data_agm005752079
_cell_length_a 4.85033
_cell_length_b 8.31215
_cell_length_c 12.59669
_cell_angle_alpha 90.00020
_cell_angle_beta 90.00023
_cell_angle_gamma 89.97286
_cell_volume 507.85641
_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 0.74933 0.62085 0.13206 1.00000
K2 K 0.25067 0.87915 0.63206 1.00000
K3 K 0.25067 0.37915 0.86794 1.00000
K4 K 0.74933 0.12085 0.36794 1.00000
Ga1 Ga 0.24952 0.80551 0.35841 1.00000
Ga2 Ga 0.75048 0.19449 0.64159 1.00000
Ga3 Ga 0.24952 0.30551 0.14159 1.00000
Ga4 Ga 0.75048 0.69449 0.85841 1.00000
Sn1 Sn 0.24918 0.95709 0.16008 1.00000
Sn2 Sn 0.74957 0.65066 0.43085 1.00000
Sn3 Sn 0.25043 0.34934 0.56915 1.00000
Sn4 Sn 0.75082 0.54291 0.66007 1.00000
Sn5 Sn 0.25042 0.84934 0.93085 1.00000
Sn6 Sn 0.24918 0.45709 0.33993 1.00000
Sn7 Sn 0.75082 0.04291 0.83992 1.00000
Sn8 Sn 0.74958 0.15066 0.06915 1.00000
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