SbS2
Alexandria ALEXAlex-ID: agm002181990 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_457_spg12
SbS2
2018-06-18 04:59:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002181990).
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 agm002181990
data_agm002181990
_cell_length_a 3.95880
_cell_length_b 7.92894
_cell_length_c 10.62730
_cell_angle_alpha 82.05709
_cell_angle_beta 79.27875
_cell_angle_gamma 75.54508
_cell_volume 315.90361
_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 0.68305 0.70299 0.93065 1.00000
Sb2 Sb 0.62199 0.18655 0.56936 1.00000
Sb3 Sb 0.37801 0.81346 0.43063 1.00000
Sb4 Sb 0.31695 0.29701 0.06935 1.00000
S1 S 0.67103 0.51944 0.13866 1.00000
S2 S 0.20955 0.94223 0.63875 1.00000
S3 S 0.08055 0.39374 0.44493 1.00000
S4 S 0.79045 0.05777 0.36125 1.00000
S5 S 0.96842 0.11954 0.94348 1.00000
S6 S 0.91945 0.60626 0.55506 1.00000
S7 S 0.32897 0.48056 0.86134 1.00000
S8 S 0.03158 0.88046 0.05652 1.00000
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