AgH2CS2N
Alexandria ALEXAlex-ID: agm005279348 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E2_27_spg122
H8S5N2 H9C6N11 Ag2S AgS2 C
2023-05-11 06:51:03.165763
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005279348).
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 agm005279348
data_agm005279348
_cell_length_a 8.47736
_cell_length_b 8.47736
_cell_length_c 8.47736
_cell_angle_alpha 123.37577
_cell_angle_beta 123.37577
_cell_angle_gamma 84.24613
_cell_volume 406.56744
_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
Ag1 Ag 0.09366 0.59366 0.50000 1.00000
Ag2 Ag 0.65634 0.65634 0.00000 1.00000
Ag3 Ag 0.40634 0.90634 0.50000 1.00000
Ag4 Ag 0.34366 0.34366 0.00000 1.00000
H1 H 0.00542 0.25500 0.44310 1.00000
H2 H 0.74458 0.68768 0.74958 1.00000
H3 H 0.81190 0.56232 0.55690 1.00000
H4 H 0.93810 0.99500 0.25042 1.00000
H5 H 0.74500 0.18810 0.75042 1.00000
H6 H 0.00500 0.25542 0.94310 1.00000
H7 H 0.43768 0.99458 0.24958 1.00000
H8 H 0.31232 0.06190 0.05690 1.00000
C1 C 0.74131 0.12500 0.11631 1.00000
C2 C 0.00869 0.62500 0.88369 1.00000
C3 C 0.87500 0.99131 0.61631 1.00000
C4 C 0.37500 0.25869 0.38369 1.00000
S1 S 0.71051 0.34848 0.16424 1.00000
S2 S 0.03949 0.70373 0.13797 1.00000
S3 S 0.18424 0.54627 0.83576 1.00000
S4 S 0.56576 0.90152 0.86203 1.00000
S5 S 0.65152 0.81576 0.36203 1.00000
S6 S 0.09848 0.96051 0.66424 1.00000
S7 S 0.45373 0.28949 0.63797 1.00000
S8 S 0.29627 0.43424 0.33576 1.00000
N1 N 0.90636 0.12500 0.28136 1.00000
N2 N 0.84364 0.62500 0.71864 1.00000
N3 N 0.87500 0.15636 0.78136 1.00000
N4 N 0.37500 0.09364 0.21864 1.00000
