Sb4Se3O2
Alexandria ALEXAlex-ID: agm005657259 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1231_spg15
Sb2O3 Sb2Se3 Sb
2023-06-30 22:03:55.630170
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657259).
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 agm005657259
data_agm005657259
_cell_length_a 6.05896
_cell_length_b 9.48341
_cell_length_c 9.48344
_cell_angle_alpha 79.28534
_cell_angle_beta 81.61584
_cell_angle_gamma 81.61473
_cell_volume 525.72657
_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 0.43382 0.20970 0.94513 1.00000
Sb2 Sb 0.06619 0.05487 0.79030 1.00000
Sb3 Sb 0.56618 0.79030 0.05487 1.00000
Sb4 Sb 0.93381 0.94513 0.20970 1.00000
Sb5 Sb 0.84089 0.43669 0.30053 1.00000
Sb6 Sb 0.65910 0.69947 0.56331 1.00000
Sb7 Sb 0.15911 0.56331 0.69947 1.00000
Sb8 Sb 0.34090 0.30053 0.43669 1.00000
Se1 Se 0.89622 0.20623 0.98654 1.00000
Se2 Se 0.60379 0.01346 0.79377 1.00000
Se3 Se 0.10378 0.79377 0.01346 1.00000
Se4 Se 0.39621 0.98654 0.20623 1.00000
Se5 Se 0.75000 0.40858 0.59142 1.00000
Se6 Se 0.25000 0.59142 0.40858 1.00000
O1 O 0.61572 0.30320 0.28958 1.00000
O2 O 0.88428 0.71042 0.69680 1.00000
O3 O 0.38428 0.69680 0.71042 1.00000
O4 O 0.11572 0.28958 0.30320 1.00000
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