Sc3SiTe2
Alexandria ALEXAlex-ID: agm032137195 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2988_spg70
ScSi ScTe
2025-04-15 09:43:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032137195).
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 agm032137195
data_agm032137195
_cell_length_a 7.06621
_cell_length_b 7.06739
_cell_length_c 12.82226
_cell_angle_alpha 100.64453
_cell_angle_beta 100.64960
_cell_angle_gamma 109.22909
_cell_volume 573.01370
_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
Sc1 Sc 0.74518 0.96530 0.92831 1.00000
Sc2 Sc 0.18282 0.46277 0.92826 1.00000
Sc3 Sc 0.25482 0.03470 0.07169 1.00000
Sc4 Sc 0.81718 0.53723 0.07174 1.00000
Sc5 Sc 0.90683 0.15666 0.25003 1.00000
Sc6 Sc 0.34324 0.59314 0.25006 1.00000
Sc7 Sc 0.96272 0.68296 0.42818 1.00000
Sc8 Sc 0.46536 0.24525 0.42823 1.00000
Sc9 Sc 0.03728 0.31704 0.57182 1.00000
Sc10 Sc 0.53464 0.75475 0.57177 1.00000
Sc11 Sc 0.09317 0.84334 0.74997 1.00000
Sc12 Sc 0.65676 0.40686 0.74994 1.00000
Si1 Si 0.95851 0.70852 0.91686 1.00000
Si2 Si 0.04149 0.29148 0.08314 1.00000
Si3 Si 0.20843 0.45848 0.41694 1.00000
Si4 Si 0.79157 0.54152 0.58306 1.00000
Te1 Te 0.37874 0.62883 0.75748 1.00000
Te2 Te 0.45551 0.20545 0.91078 1.00000
Te3 Te 0.54449 0.79455 0.08922 1.00000
Te4 Te 0.62126 0.37117 0.24252 1.00000
Te5 Te 0.12890 0.87877 0.25742 1.00000
Te6 Te 0.70538 0.95550 0.41086 1.00000
Te7 Te 0.29462 0.04450 0.58914 1.00000
Te8 Te 0.87110 0.12123 0.74258 1.00000
