ReS8NO2
Alexandria ALEXAlex-ID: agm005287736 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1031_spg2
SN S8O ReS2 SO2
2023-05-10 13:23:37.353302
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287736).
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 agm005287736
data_agm005287736
_cell_length_a 7.34275
_cell_length_b 9.09590
_cell_length_c 10.44818
_cell_angle_alpha 92.08226
_cell_angle_beta 76.38338
_cell_angle_gamma 81.54239
_cell_volume 669.00312
_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
Re1 Re 0.09526 0.89742 0.88194 1.00000
Re2 Re 0.90474 0.10258 0.11806 1.00000
S1 S 0.17148 0.76468 0.20957 1.00000
S2 S 0.82852 0.23532 0.79043 1.00000
S3 S 0.42122 0.58869 0.68010 1.00000
S4 S 0.57878 0.41131 0.31990 1.00000
S5 S 0.03581 0.97892 0.26670 1.00000
S6 S 0.96419 0.02108 0.73330 1.00000
S7 S 0.40116 0.79023 0.78385 1.00000
S8 S 0.59884 0.20977 0.21615 1.00000
S9 S 0.21427 0.08263 0.96438 1.00000
S10 S 0.78573 0.91737 0.03562 1.00000
S11 S 0.97240 0.67967 0.79836 1.00000
S12 S 0.02760 0.32033 0.20164 1.00000
S13 S 0.16702 0.60711 0.62673 1.00000
S14 S 0.83298 0.39289 0.37327 1.00000
S15 S 0.13838 0.68816 0.03734 1.00000
S16 S 0.86162 0.31184 0.96266 1.00000
N1 N 0.37718 0.16420 0.95215 1.00000
N2 N 0.62282 0.83580 0.04785 1.00000
O1 O 0.53811 0.12589 0.59782 1.00000
O2 O 0.46189 0.87411 0.40218 1.00000
O3 O 0.38089 0.19997 0.60391 1.00000
O4 O 0.61911 0.80003 0.39609 1.00000
