AgCSN
Alexandria ALEXAlex-ID: agm005275550 · Space group: Pnnm (#58)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_1431_spg58
Ag2S AgS2 AgSN2 C
2023-05-07 02:38:43.860065
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005275550).
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 agm005275550
data_agm005275550
_cell_length_a 4.23850
_cell_length_b 7.22433
_cell_length_c 11.54138
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 353.40009
_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 0.50000 0.29598 0.65843 1.00000
Ag2 Ag 0.00000 0.79598 0.84157 1.00000
Ag3 Ag 0.50000 0.70402 0.34157 1.00000
Ag4 Ag 0.00000 0.20402 0.15843 1.00000
C1 C 0.00000 0.33244 0.88083 1.00000
C2 C 0.00000 0.66756 0.11917 1.00000
C3 C 0.50000 0.16756 0.38083 1.00000
C4 C 0.50000 0.83244 0.61917 1.00000
S1 S 0.00000 0.43967 0.75391 1.00000
S2 S 0.50000 0.06033 0.25391 1.00000
S3 S 0.50000 0.93967 0.74609 1.00000
S4 S 0.00000 0.56033 0.24609 1.00000
N1 N 0.00000 0.25594 0.97085 1.00000
N2 N 0.50000 0.24406 0.47085 1.00000
N3 N 0.50000 0.75594 0.52915 1.00000
N4 N 0.00000 0.74406 0.02915 1.00000
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