Sb3Se
Alexandria ALEXAlex-ID: agm005492900 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_156_spg166
Sb2Se3 Sb
2023-03-19 04:11:25.440257
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005492900).
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 agm005492900
data_agm005492900
_cell_length_a 6.14056
_cell_length_b 6.14056
_cell_length_c 6.16482
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.67071
_cell_volume 232.44959
_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
Sb1 Sb 0.24092 0.75908 0.75000 1.00000
Sb2 Sb 0.75908 0.24092 0.25000 1.00000
Sb3 Sb 0.75837 0.74561 0.75000 1.00000
Sb4 Sb 0.24163 0.25439 0.25000 1.00000
Sb5 Sb 0.74561 0.75837 0.25000 1.00000
Sb6 Sb 0.25439 0.24163 0.75000 1.00000
Se1 Se 0.72763 0.27237 0.75000 1.00000
Se2 Se 0.27237 0.72763 0.25000 1.00000
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