Sc3SiTe2
Alexandria ALEXAlex-ID: agm005690530 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5_spg15
ScSi ScTe
2023-08-25 00:08:29.426454
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690530).
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 agm005690530
data_agm005690530
_cell_length_a 7.01912
_cell_length_b 7.01912
_cell_length_c 7.11449
_cell_angle_alpha 99.45047
_cell_angle_beta 99.45048
_cell_angle_gamma 120.01840
_cell_volume 286.65919
_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 0.61873 0.95207 0.78302 1.00000
Sc2 Sc 0.04793 0.38126 0.21698 1.00000
Sc3 Sc 0.90122 0.59142 0.77658 1.00000
Sc4 Sc 0.25809 0.23455 0.77658 1.00000
Sc5 Sc 0.40858 0.09878 0.22342 1.00000
Sc6 Sc 0.76545 0.74191 0.22342 1.00000
Si1 Si 0.00151 0.99849 1.00000 1.00000
Si2 Si 0.66515 0.33485 1.00000 1.00000
Te1 Te 0.83334 0.16666 0.50000 1.00000
Te2 Te 0.33333 0.66666 0.00000 1.00000
Te3 Te 0.17398 0.82601 0.50000 1.00000
Te4 Te 0.49269 0.50731 0.50000 1.00000
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