Y4SiSbTe2
Alexandria ALEXAlex-ID: agm033354262 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
Y6Sb5Te Y3SiTe2 YSi
2025-02-06 15:00:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033354262).
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 agm033354262
data_agm033354262
_cell_length_a 8.65976
_cell_length_b 8.65976
_cell_length_c 8.65976
_cell_angle_alpha 120.45934
_cell_angle_beta 119.60082
_cell_angle_gamma 89.94951
_cell_volume 458.95880
_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
Y1 Y 0.76464 0.75859 0.49396 1.00000
Y2 Y 0.76464 0.27068 0.00604 1.00000
Y3 Y 0.23536 0.72932 0.99396 1.00000
Y4 Y 0.23536 0.24141 0.50604 1.00000
Y5 Y 0.77185 0.74754 0.02431 1.00000
Y6 Y 0.22323 0.74754 0.47569 1.00000
Y7 Y 0.77677 0.25246 0.52431 1.00000
Y8 Y 0.22815 0.25246 0.97569 1.00000
Si1 Si 0.00000 0.50000 0.00000 1.00000
Si2 Si 0.00000 0.00000 0.50000 1.00000
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
Sb2 Sb 0.00000 0.50000 0.50000 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Te2 Te 0.50000 0.00000 0.50000 1.00000
Te3 Te 0.50000 0.00000 0.00000 1.00000
Te4 Te 0.50000 0.50000 0.50000 1.00000
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