Ag3As2C3Se5N
Alexandria ALEXAlex-ID: agm005257924 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3E5_1_spg2
As(SeN)2 Ag3AsSe3 Se2N As2Se3 C
2023-05-11 20:12:15.699714
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005257924).
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 agm005257924
data_agm005257924
_cell_length_a 6.77326
_cell_length_b 10.45442
_cell_length_c 13.00031
_cell_angle_alpha 85.28020
_cell_angle_beta 97.65338
_cell_angle_gamma 106.25328
_cell_volume 874.91408
_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 0.81484 0.23628 0.73708 1.00000
Ag2 Ag 0.18516 0.76372 0.26292 1.00000
Ag3 Ag 0.04416 0.39245 0.09549 1.00000
Ag4 Ag 0.95584 0.60755 0.90451 1.00000
Ag5 Ag 0.12083 0.07514 0.79119 1.00000
Ag6 Ag 0.87917 0.92486 0.20881 1.00000
As1 As 0.43288 0.40245 0.89862 1.00000
As2 As 0.56712 0.59755 0.10138 1.00000
As3 As 0.64207 0.80649 0.87678 1.00000
As4 As 0.35793 0.19351 0.12322 1.00000
C1 C 0.16221 0.75133 0.42533 1.00000
C2 C 0.83779 0.24867 0.57467 1.00000
C3 C 0.19982 0.78214 0.61489 1.00000
C4 C 0.80018 0.21786 0.38511 1.00000
C5 C 0.21663 0.79953 0.70817 1.00000
C6 C 0.78337 0.20047 0.29183 1.00000
Se1 Se 0.44089 0.26382 0.76265 1.00000
Se2 Se 0.55911 0.73618 0.23735 1.00000
Se3 Se 0.75268 0.94607 0.73192 1.00000
Se4 Se 0.24732 0.05393 0.26808 1.00000
Se5 Se 0.06160 0.37879 0.88906 1.00000
Se6 Se 0.93840 0.62121 0.11094 1.00000
Se7 Se 0.40641 0.39693 0.21333 1.00000
Se8 Se 0.59359 0.60307 0.78667 1.00000
Se9 Se 0.74416 0.17339 0.15392 1.00000
Se10 Se 0.25584 0.82661 0.84608 1.00000
N1 N 0.17921 0.76583 0.51616 1.00000
N2 N 0.82079 0.23417 0.48384 1.00000
