Si2Te
Alexandria ALEXAlex-ID: agm005481829 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2834_spg141
SiTe2 Si
2023-03-21 22:33:34.995335
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005481829).
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 agm005481829
data_agm005481829
_cell_length_a 6.26754
_cell_length_b 6.26754
_cell_length_c 6.26754
_cell_angle_alpha 133.08396
_cell_angle_beta 133.08396
_cell_angle_gamma 68.52232
_cell_volume 128.97881
_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 0.61772 0.61772 0.00000 1.00000
Si2 Si 0.13228 0.63228 0.50000 1.00000
Si3 Si 0.38228 0.38228 0.00000 1.00000
Si4 Si 0.36772 0.86772 0.50000 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Te2 Te 0.75000 0.25000 0.50000 1.00000
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