H7S2N
Alexandria ALEXAlex-ID: agm006199766 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1067_spg1
H8SN2 H2S
2023-11-25 04:15:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006199766).
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 agm006199766
data_agm006199766
_cell_length_a 5.64970
_cell_length_b 5.36006
_cell_length_c 7.79108
_cell_angle_alpha 124.23621
_cell_angle_beta 59.15725
_cell_angle_gamma 119.79204
_cell_volume 160.08697
_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 0.02045 0.48380 0.06293 1.00000
H2 H 0.22634 0.27200 0.82660 1.00000
H3 H 0.21831 0.61769 0.86115 1.00000
H4 H 0.66095 0.91645 0.19431 1.00000
H5 H 0.59578 0.84634 0.59230 1.00000
H6 H 0.50550 0.05482 0.09759 1.00000
H7 H 0.91377 0.28784 0.84228 1.00000
S1 S 0.48596 0.04309 0.80041 1.00000
S2 S 0.50965 0.12027 0.29446 1.00000
N1 N 0.09567 0.41509 0.89614 1.00000
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