Dy2SeN
Alexandria ALEXAlex-ID: agm005672564 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_744_spg194
DySe DyN
2023-07-13 04:47:56.151003
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672564).
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 agm005672564
data_agm005672564
_cell_length_a 3.66310
_cell_length_b 3.66310
_cell_length_c 13.11016
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 152.34752
_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
Dy1 Dy 0.33333 0.66667 0.40118 1.00000
Dy2 Dy 0.66667 0.33333 0.90118 1.00000
Dy3 Dy 0.66667 0.33333 0.59882 1.00000
Dy4 Dy 0.33333 0.66667 0.09882 1.00000
Se1 Se 0.66667 0.33333 0.25000 1.00000
Se2 Se 0.33333 0.66667 0.75000 1.00000
N1 N 0.00000 0.00000 0.50000 1.00000
N2 N 0.00000 0.00000 0.00000 1.00000
Get direct link