CeZr(MoN3)2
Alexandria ALEXAlex-ID: agm013206380 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_262_spg15
CeZr4N6 Ce3MoN6 CeZrMoN3 MoN2
2025-03-12 02:52:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013206380).
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 agm013206380
data_agm013206380
_cell_length_a 7.12344
_cell_length_b 7.12344
_cell_length_c 5.92171
_cell_angle_alpha 76.86386
_cell_angle_beta 103.13614
_cell_angle_gamma 98.37424
_cell_volume 283.56487
_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 0.68200 0.68200 0.75000 1.00000
Ce2 Ce 0.31800 0.31800 0.25000 1.00000
Zr1 Zr 0.08319 0.08319 0.75000 1.00000
Zr2 Zr 0.91681 0.91681 0.25000 1.00000
Mo1 Mo 0.19194 0.61675 0.72407 1.00000
Mo2 Mo 0.61675 0.19194 0.77593 1.00000
Mo3 Mo 0.80806 0.38325 0.27593 1.00000
Mo4 Mo 0.38325 0.80806 0.22407 1.00000
N1 N 0.99733 0.79313 0.63655 1.00000
N2 N 0.79313 0.99733 0.86345 1.00000
N3 N 0.00267 0.20687 0.36345 1.00000
N4 N 0.20687 0.00267 0.13655 1.00000
N5 N 0.10157 0.36863 0.83464 1.00000
N6 N 0.36863 0.10157 0.66536 1.00000
N7 N 0.89843 0.63137 0.16536 1.00000
N8 N 0.63137 0.89843 0.33464 1.00000
N9 N 0.34141 0.61160 0.49357 1.00000
N10 N 0.61160 0.34141 0.00643 1.00000
N11 N 0.65859 0.38840 0.50643 1.00000
N12 N 0.38840 0.65859 0.99357 1.00000
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