SiW2
Alexandria ALEXAlex-ID: agm005509832 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2416_spg62
Si4W3 W
2023-05-02 16:19:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005509832).
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 agm005509832
data_agm005509832
_cell_length_a 4.19376
_cell_length_b 5.37308
_cell_length_c 7.99854
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 180.23429
_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
Si1 Si 0.25000 0.69577 0.38774 1.00000
Si2 Si 0.75000 0.80423 0.88774 1.00000
Si3 Si 0.25000 0.19577 0.11226 1.00000
Si4 Si 0.75000 0.30423 0.61226 1.00000
W1 W 0.25000 0.07747 0.78202 1.00000
W2 W 0.75000 0.42253 0.28202 1.00000
W3 W 0.25000 0.57747 0.71798 1.00000
W4 W 0.75000 0.92253 0.21798 1.00000
W5 W 0.25000 0.19090 0.43887 1.00000
W6 W 0.75000 0.30910 0.93887 1.00000
W7 W 0.25000 0.69090 0.06113 1.00000
W8 W 0.75000 0.80910 0.56113 1.00000
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