S3N2O5
Alexandria ALEXAlex-ID: agm006236409 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_90_spg14
SN N2 SO2
2024-11-01 10:59:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006236409).
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 agm006236409
data_agm006236409
_cell_length_a 10.28635
_cell_length_b 8.60130
_cell_length_c 8.45286
_cell_angle_alpha 67.91169
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 692.98499
_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 0.17646 0.77556 0.74908 1.00000
S2 S 0.67646 0.72444 0.25092 1.00000
S3 S 0.82354 0.22444 0.25092 1.00000
S4 S 0.32354 0.27556 0.74908 1.00000
S5 S 0.96083 0.58818 0.70654 1.00000
S6 S 0.46083 0.91182 0.29346 1.00000
S7 S 0.03917 0.41182 0.29346 1.00000
S8 S 0.53917 0.08818 0.70654 1.00000
S9 S 0.92319 0.88621 0.79130 1.00000
S10 S 0.42319 0.61379 0.20870 1.00000
S11 S 0.07681 0.11379 0.20870 1.00000
S12 S 0.57681 0.38621 0.79130 1.00000
N1 N 0.11798 0.62460 0.71479 1.00000
N2 N 0.61798 0.87540 0.28521 1.00000
N3 N 0.88202 0.37540 0.28521 1.00000
N4 N 0.38202 0.12460 0.71479 1.00000
N5 N 0.08326 0.89735 0.78957 1.00000
N6 N 0.58326 0.60265 0.21043 1.00000
N7 N 0.91674 0.10265 0.21043 1.00000
N8 N 0.41674 0.39735 0.78957 1.00000
O1 O 0.93650 0.41568 0.80530 1.00000
O2 O 0.43650 0.08432 0.19470 1.00000
O3 O 0.06350 0.58432 0.19470 1.00000
O4 O 0.56350 0.91568 0.80530 1.00000
O5 O 0.60326 0.18503 0.82582 1.00000
O6 O 0.10326 0.31497 0.17418 1.00000
O7 O 0.39674 0.81497 0.17418 1.00000
O8 O 0.89674 0.68503 0.82582 1.00000
O9 O 0.62450 0.40166 0.94279 1.00000
O10 O 0.12450 0.09834 0.05721 1.00000
O11 O 0.37550 0.59834 0.05721 1.00000
O12 O 0.87550 0.90166 0.94279 1.00000
O13 O 0.62468 0.48854 0.62623 1.00000
O14 O 0.12468 0.01146 0.37377 1.00000
O15 O 0.37532 0.51146 0.37377 1.00000
O16 O 0.87532 0.98854 0.62623 1.00000
O17 O 0.58240 0.16766 0.53412 1.00000
O18 O 0.08240 0.33234 0.46588 1.00000
O19 O 0.41760 0.83234 0.46588 1.00000
O20 O 0.91760 0.66766 0.53412 1.00000
