K2Si3
Alexandria ALEXAlex-ID: agm005506084 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_543_spg43
KSi Si
2023-03-20 12:58:57.062811
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506084).
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
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# CIF generated by HEAS from Alexandria entry agm005506084
data_agm005506084
_cell_length_a 8.90762
_cell_length_b 8.02506
_cell_length_c 6.21319
_cell_angle_alpha 76.27537
_cell_angle_beta 61.06837
_cell_angle_gamma 42.65625
_cell_volume 258.07846
_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 0.30159 0.81978 0.37237 1.00000
K2 K 0.50627 0.37237 0.81978 1.00000
K3 K 0.43022 0.94841 0.74373 1.00000
K4 K 0.87763 0.74373 0.94841 1.00000
Si1 Si 0.86415 0.38871 0.29487 1.00000
Si2 Si 0.45226 0.29487 0.38871 1.00000
Si3 Si 0.86129 0.38585 0.79774 1.00000
Si4 Si 0.95513 0.79774 0.38585 1.00000
Si5 Si 0.87573 0.12427 0.12427 1.00000
Si6 Si 0.12573 0.37427 0.37427 1.00000
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