CeY2N3
Alexandria ALEXAlex-ID: agm033268589 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2988_spg70
CeY5N6 CeN
2025-04-15 07:35:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033268589).
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 agm033268589
data_agm033268589
_cell_length_a 11.62982
_cell_length_b 11.08939
_cell_length_c 6.07379
_cell_angle_alpha 79.47231
_cell_angle_beta 69.63251
_cell_angle_gamma 30.89518
_cell_volume 365.96388
_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
Ce1 Ce 0.91657 0.91657 0.08343 1.00000
Ce2 Ce 0.33343 0.33343 0.16657 1.00000
Ce3 Ce 0.16657 0.16657 0.33343 1.00000
Ce4 Ce 0.08343 0.08343 0.91657 1.00000
Y1 Y 0.99951 0.99951 0.50049 1.00000
Y2 Y 0.41703 0.41703 0.58297 1.00000
Y3 Y 0.83297 0.83297 0.66703 1.00000
Y4 Y 0.25049 0.25049 0.74951 1.00000
Y5 Y 0.74951 0.74951 0.25049 1.00000
Y6 Y 0.66703 0.66703 0.83297 1.00000
Y7 Y 0.58297 0.58297 0.41703 1.00000
Y8 Y 0.50049 0.50049 0.99951 1.00000
N1 N 0.66699 0.16555 0.83509 1.00000
N2 N 0.16555 0.66699 0.33237 1.00000
N3 N 0.58301 0.08445 0.41491 1.00000
N4 N 0.08445 0.58301 0.91763 1.00000
N5 N 0.49975 0.00025 0.00025 1.00000
N6 N 0.00025 0.49975 0.49975 1.00000
N7 N 0.91763 0.41491 0.08445 1.00000
N8 N 0.41491 0.91763 0.58301 1.00000
N9 N 0.33237 0.83509 0.16555 1.00000
N10 N 0.83509 0.33237 0.66699 1.00000
N11 N 0.75025 0.24975 0.24975 1.00000
N12 N 0.24975 0.75025 0.75025 1.00000
