SiTeSe
Alexandria ALEXAlex-ID: agm079797164 · Space group: P2_13 (#198)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_13973_spg212
SiTe2 SiSe2
2025-02-12 23:46:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079797164).
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 agm079797164
data_agm079797164
_cell_length_a 11.21442
_cell_length_b 11.21442
_cell_length_c 11.21442
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1410.36187
_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 0.51498 0.74929 0.02640 1.00000
Si2 Si 0.98502 0.25071 0.52640 1.00000
Si3 Si 0.48502 0.24929 0.47360 1.00000
Si4 Si 0.01498 0.75071 0.97360 1.00000
Si5 Si 0.02640 0.51498 0.74929 1.00000
Si6 Si 0.52640 0.98502 0.25071 1.00000
Si7 Si 0.47360 0.48502 0.24929 1.00000
Si8 Si 0.97360 0.01498 0.75071 1.00000
Si9 Si 0.74929 0.02640 0.51498 1.00000
Si10 Si 0.25071 0.52640 0.98502 1.00000
Si11 Si 0.24929 0.47360 0.48502 1.00000
Si12 Si 0.75071 0.97360 0.01498 1.00000
Te1 Te 0.63866 0.60866 0.15454 1.00000
Te2 Te 0.86134 0.39134 0.65454 1.00000
Te3 Te 0.36134 0.10866 0.34546 1.00000
Te4 Te 0.13866 0.89134 0.84546 1.00000
Te5 Te 0.15454 0.63866 0.60866 1.00000
Te6 Te 0.65454 0.86134 0.39134 1.00000
Te7 Te 0.34546 0.36134 0.10866 1.00000
Te8 Te 0.84546 0.13866 0.89134 1.00000
Te9 Te 0.60866 0.15454 0.63866 1.00000
Te10 Te 0.39134 0.65454 0.86134 1.00000
Te11 Te 0.10866 0.34546 0.36134 1.00000
Te12 Te 0.89134 0.84546 0.13866 1.00000
Se1 Se 0.63352 0.85432 0.89389 1.00000
Se2 Se 0.86648 0.14568 0.39389 1.00000
Se3 Se 0.36648 0.35432 0.60611 1.00000
Se4 Se 0.13352 0.64568 0.10611 1.00000
Se5 Se 0.89389 0.63352 0.85432 1.00000
Se6 Se 0.39389 0.86648 0.14568 1.00000
Se7 Se 0.60611 0.36648 0.35432 1.00000
Se8 Se 0.10611 0.13352 0.64568 1.00000
Se9 Se 0.85432 0.89389 0.63352 1.00000
Se10 Se 0.14568 0.39389 0.86648 1.00000
Se11 Se 0.35432 0.60611 0.36648 1.00000
Se12 Se 0.64568 0.10611 0.13352 1.00000
