H4SN
Alexandria ALEXAlex-ID: agm003735546 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1728_spg74
H8SN2 H8S5N2
2022-04-18 13:36:03.260498
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003735546).
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 agm003735546
data_agm003735546
_cell_length_a 5.49602
_cell_length_b 4.71657
_cell_length_c 5.63561
_cell_angle_alpha 114.98491
_cell_angle_beta 119.40488
_cell_angle_gamma 89.53955
_cell_volume 111.62170
_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
H1 H 0.24131 0.83062 0.66092 1.00000
H2 H 0.77961 0.85105 0.05633 1.00000
H3 H 0.08039 0.16970 0.33908 1.00000
H4 H 0.22328 0.79472 0.94367 1.00000
H5 H 0.75869 0.16938 0.33908 1.00000
H6 H 0.91961 0.83030 0.66092 1.00000
H7 H 0.22039 0.14895 0.94367 1.00000
H8 H 0.77672 0.20528 0.05633 1.00000
S1 S 0.46287 0.71287 0.42574 1.00000
S2 S 0.53713 0.28713 0.57426 1.00000
N1 N 0.84972 0.09972 0.19943 1.00000
N2 N 0.15028 0.90028 0.80057 1.00000
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