S2NO
Alexandria ALEXAlex-ID: agm005267285 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_810_spg2
SN S8O SO2
2023-05-07 09:34:12.628376
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267285).
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 agm005267285
data_agm005267285
_cell_length_a 4.55530
_cell_length_b 8.32115
_cell_length_c 10.97855
_cell_angle_alpha 108.64101
_cell_angle_beta 93.79096
_cell_angle_gamma 103.32068
_cell_volume 379.27188
_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
S1 S 0.25730 0.96659 0.64586 1.00000
S2 S 0.00858 0.20697 0.28411 1.00000
S3 S 0.99142 0.79303 0.71589 1.00000
S4 S 0.71866 0.67307 0.30794 1.00000
S5 S 0.10013 0.73645 0.95631 1.00000
S6 S 0.89987 0.26355 0.04369 1.00000
S7 S 0.28134 0.32693 0.69206 1.00000
S8 S 0.74270 0.03341 0.35414 1.00000
N1 N 0.19351 0.83302 0.85983 1.00000
N2 N 0.16275 0.15321 0.71821 1.00000
N3 N 0.83725 0.84679 0.28179 1.00000
N4 N 0.80649 0.16698 0.14017 1.00000
O1 O 0.81055 0.59663 0.91912 1.00000
O2 O 0.51066 0.67050 0.40516 1.00000
O3 O 0.18945 0.40337 0.08088 1.00000
O4 O 0.48934 0.32950 0.59484 1.00000
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