CS2N2O
Alexandria ALEXAlex-ID: agm005282374 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_498_spg19
SN CO2 C
2023-05-09 13:18:24.874301
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005282374).
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 agm005282374
data_agm005282374
_cell_length_a 4.79599
_cell_length_b 9.60390
_cell_length_c 11.32984
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 521.85509
_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
C1 C 0.21476 0.16960 0.16881 1.00000
C2 C 0.28524 0.83040 0.66881 1.00000
C3 C 0.78524 0.66960 0.33119 1.00000
C4 C 0.71476 0.33040 0.83119 1.00000
S1 S 0.36241 0.32831 0.18168 1.00000
S2 S 0.13759 0.67169 0.68168 1.00000
S3 S 0.63759 0.82831 0.31832 1.00000
S4 S 0.86241 0.17169 0.81832 1.00000
S5 S 0.20195 0.56443 0.04629 1.00000
S6 S 0.29805 0.43557 0.54629 1.00000
S7 S 0.79805 0.06443 0.45371 1.00000
S8 S 0.70195 0.93557 0.95371 1.00000
N1 N 0.16742 0.40985 0.08078 1.00000
N2 N 0.33258 0.59015 0.58078 1.00000
N3 N 0.83258 0.90985 0.41922 1.00000
N4 N 0.66742 0.09015 0.91922 1.00000
N5 N 0.11836 0.05759 0.16313 1.00000
N6 N 0.38164 0.94241 0.66313 1.00000
N7 N 0.88164 0.55759 0.33687 1.00000
N8 N 0.61836 0.44241 0.83687 1.00000
O1 O 0.07932 0.35353 0.60568 1.00000
O2 O 0.42068 0.64647 0.10568 1.00000
O3 O 0.92068 0.85353 0.89432 1.00000
O4 O 0.57932 0.14647 0.39432 1.00000
