Y(SbSe2)2
Alexandria ALEXAlex-ID: agm096143003 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_111_spg111
Sb2Se3 Y2Se3 Sb
2025-04-11 12:34:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096143003).
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 agm096143003
data_agm096143003
_cell_length_a 4.44923
_cell_length_b 6.53475
_cell_length_c 7.06488
_cell_angle_alpha 88.08707
_cell_angle_beta 88.00231
_cell_angle_gamma 94.19868
_cell_volume 204.59970
_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 0.00289 0.46505 0.98960 1.00000
Sb1 Sb 0.98874 0.96430 0.00309 1.00000
Sb2 Sb 0.49970 0.03107 0.50018 1.00000
Se1 Se 0.53790 0.71934 0.16425 1.00000
Se2 Se 0.95879 0.77806 0.67375 1.00000
Se3 Se 0.02041 0.26927 0.35806 1.00000
Se4 Se 0.49156 0.27291 0.81108 1.00000
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