Ce2YNbN5
Alexandria ALEXAlex-ID: agm005152864 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
Ce3N4 CeNbN2 CeNbN3 YN
2023-01-17 04:56:23.730976
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152864).
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 agm005152864
data_agm005152864
_cell_length_a 3.54039
_cell_length_b 7.11468
_cell_length_c 11.36865
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.40703
_cell_volume 277.35686
_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 0.86249 0.72497 0.73895 1.00000
Ce2 Ce 0.12997 0.25994 0.71850 1.00000
Ce3 Ce 0.13751 0.27503 0.23895 1.00000
Ce4 Ce 0.87003 0.74006 0.21850 1.00000
Y1 Y 0.75894 0.51788 0.48624 1.00000
Y2 Y 0.24106 0.48212 0.98624 1.00000
Nb1 Nb 0.50761 0.01521 0.98073 1.00000
Nb2 Nb 0.49239 0.98479 0.48073 1.00000
N1 N 0.39199 0.78398 0.07547 1.00000
N2 N 0.71923 0.43846 0.84388 1.00000
N3 N 0.46732 0.93463 0.81660 1.00000
N4 N 0.27847 0.55693 0.63877 1.00000
N5 N 0.93168 0.86336 0.52483 1.00000
N6 N 0.60801 0.21602 0.57547 1.00000
N7 N 0.28077 0.56154 0.34388 1.00000
N8 N 0.53268 0.06537 0.31660 1.00000
N9 N 0.72153 0.44307 0.13877 1.00000
N10 N 0.06832 0.13664 0.02483 1.00000
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