Si2Te3
Alexandria ALEXAlex-ID: agm005508367 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_10_spg43
SiTe2 Si
2023-03-20 12:58:02.718339
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508367).
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 agm005508367
data_agm005508367
_cell_length_a 8.62437
_cell_length_b 7.30833
_cell_length_c 6.90929
_cell_angle_alpha 74.62848
_cell_angle_beta 54.79464
_cell_angle_gamma 50.57688
_cell_volume 271.33099
_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 0.24571 0.00822 0.15558 1.00000
Si2 Si 0.59049 0.15558 0.00822 1.00000
Si3 Si 0.09442 0.65951 0.00429 1.00000
Si4 Si 0.24178 0.00429 0.65951 1.00000
Te1 Te 0.41204 0.18115 0.75809 1.00000
Te2 Te 0.64872 0.75809 0.18115 1.00000
Te3 Te 0.49191 0.60128 0.83796 1.00000
Te4 Te 0.06885 0.83796 0.60128 1.00000
Te5 Te 0.10304 0.39696 0.39696 1.00000
Te6 Te 0.85304 0.14696 0.14696 1.00000
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