Se2NCl3
Alexandria ALEXAlex-ID: agm005283618 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4482_spg14
Se2N N2Cl SeCl4
2023-05-09 22:14:32.032077
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283618).
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 agm005283618
data_agm005283618
_cell_length_a 10.40312
_cell_length_b 7.60275
_cell_length_c 9.69285
_cell_angle_alpha 84.30197
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 762.84233
_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
Se1 Se 0.53521 0.59303 0.71586 1.00000
Se2 Se 0.03521 0.90697 0.28414 1.00000
Se3 Se 0.11765 0.43599 0.68513 1.00000
Se4 Se 0.61765 0.06401 0.31487 1.00000
Se5 Se 0.38235 0.93599 0.68513 1.00000
Se6 Se 0.46479 0.40697 0.28414 1.00000
Se7 Se 0.88235 0.56401 0.31487 1.00000
Se8 Se 0.96479 0.09303 0.71586 1.00000
N1 N 0.50013 0.80046 0.77361 1.00000
N2 N 0.49987 0.19954 0.22639 1.00000
N3 N 0.00013 0.69954 0.22639 1.00000
N4 N 0.99987 0.30046 0.77361 1.00000
Cl1 Cl 0.85525 0.81670 0.47957 1.00000
Cl2 Cl 0.60102 0.84831 0.17230 1.00000
Cl3 Cl 0.31740 0.48279 0.12411 1.00000
Cl4 Cl 0.10102 0.65169 0.82770 1.00000
Cl5 Cl 0.39898 0.15169 0.82770 1.00000
Cl6 Cl 0.18260 0.98279 0.12411 1.00000
Cl7 Cl 0.89898 0.34831 0.17230 1.00000
Cl8 Cl 0.64475 0.31670 0.47957 1.00000
Cl9 Cl 0.81740 0.01721 0.87589 1.00000
Cl10 Cl 0.68260 0.51721 0.87589 1.00000
Cl11 Cl 0.14475 0.18330 0.52043 1.00000
Cl12 Cl 0.35525 0.68330 0.52043 1.00000
