K3(SiAs2)2
Alexandria ALEXAlex-ID: agm003340641 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_14_spg15
K2SiAs2 K3As7 K(SiAs)3
2022-01-30 03:45:00.278871
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003340641).
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 agm003340641
data_agm003340641
_cell_length_a 6.68275
_cell_length_b 9.21946
_cell_length_c 9.21945
_cell_angle_alpha 71.02995
_cell_angle_beta 89.30172
_cell_angle_gamma 89.30172
_cell_volume 537.11205
_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 0.98110 0.99102 0.25232 1.00000
K2 K 0.51890 0.74768 0.00898 1.00000
K3 K 0.01890 0.00898 0.74768 1.00000
K4 K 0.48110 0.25232 0.99102 1.00000
K5 K 0.25000 0.60339 0.39661 1.00000
K6 K 0.75000 0.39661 0.60339 1.00000
Si1 Si 0.45059 0.16826 0.40289 1.00000
Si2 Si 0.04941 0.59710 0.83174 1.00000
Si3 Si 0.54941 0.83174 0.59711 1.00000
Si4 Si 0.95059 0.40290 0.16826 1.00000
As1 As 0.48824 0.94370 0.32758 1.00000
As2 As 0.01176 0.67242 0.05630 1.00000
As3 As 0.51176 0.05630 0.67242 1.00000
As4 As 0.98824 0.32758 0.94370 1.00000
As5 As 0.10630 0.25970 0.40383 1.00000
As6 As 0.39370 0.59617 0.74030 1.00000
As7 As 0.89370 0.74030 0.59617 1.00000
As8 As 0.60630 0.40383 0.25970 1.00000
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