CSeN
Alexandria ALEXAlex-ID: agm005257312 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7324_spg19
SeN C
2023-05-09 16:14:17.230185
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005257312).
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 agm005257312
data_agm005257312
_cell_length_a 5.57393
_cell_length_b 6.69292
_cell_length_c 15.96456
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 595.57144
_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
C1 C 0.21458 0.96942 0.01018 1.00000
C2 C 0.28542 0.03058 0.51018 1.00000
C3 C 0.78542 0.46942 0.48982 1.00000
C4 C 0.06898 0.83412 0.71156 1.00000
C5 C 0.71458 0.53058 0.98982 1.00000
C6 C 0.43102 0.16588 0.21156 1.00000
C7 C 0.93102 0.33412 0.78844 1.00000
C8 C 0.56898 0.66588 0.28844 1.00000
Se1 Se 0.18293 0.29682 0.15721 1.00000
Se2 Se 0.51175 0.50496 0.89882 1.00000
Se3 Se 0.81707 0.79682 0.34279 1.00000
Se4 Se 0.31707 0.70318 0.65721 1.00000
Se5 Se 0.98825 0.49504 0.39882 1.00000
Se6 Se 0.01175 0.99504 0.10118 1.00000
Se7 Se 0.68293 0.20318 0.84279 1.00000
Se8 Se 0.48825 0.00496 0.60118 1.00000
N1 N 0.34157 0.94866 0.95217 1.00000
N2 N 0.59470 0.08718 0.24377 1.00000
N3 N 0.90530 0.91282 0.74377 1.00000
N4 N 0.40530 0.58718 0.25623 1.00000
N5 N 0.65843 0.44866 0.54783 1.00000
N6 N 0.84157 0.55134 0.04783 1.00000
N7 N 0.09470 0.41282 0.75623 1.00000
N8 N 0.15843 0.05134 0.45217 1.00000
