Ce2YZrN5
Alexandria ALEXAlex-ID: agm005152908 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
CeZr4N6 Y5ZrN6 Ce3N4 CeN2
2023-01-17 02:40:23.707324
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152908).
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 agm005152908
data_agm005152908
_cell_length_a 3.58916
_cell_length_b 7.14427
_cell_length_c 11.39004
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.54802
_cell_volume 282.69804
_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 0.86426 0.72851 0.73675 1.00000
Ce2 Ce 0.13220 0.26441 0.71063 1.00000
Ce3 Ce 0.13574 0.27149 0.23675 1.00000
Ce4 Ce 0.86780 0.73559 0.21063 1.00000
Y1 Y 0.76025 0.52051 0.48451 1.00000
Y2 Y 0.23975 0.47949 0.98451 1.00000
Zr1 Zr 0.50917 0.01833 0.98126 1.00000
Zr2 Zr 0.49083 0.98167 0.48126 1.00000
N1 N 0.38596 0.77192 0.08413 1.00000
N2 N 0.71443 0.42887 0.84178 1.00000
N3 N 0.45285 0.90570 0.81031 1.00000
N4 N 0.27662 0.55323 0.63860 1.00000
N5 N 0.92810 0.85621 0.53599 1.00000
N6 N 0.61404 0.22808 0.58413 1.00000
N7 N 0.28557 0.57113 0.34178 1.00000
N8 N 0.54715 0.09430 0.31031 1.00000
N9 N 0.72338 0.44677 0.13860 1.00000
N10 N 0.07190 0.14379 0.03599 1.00000
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