CeVN3
Alexandria ALEXAlex-ID: agm005754276 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1822_spg14
Ce3(VN3)2 VN N2
2023-07-05 01:44:05.111716
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754276).
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 agm005754276
data_agm005754276
_cell_length_a 6.37457
_cell_length_b 7.22072
_cell_length_c 6.92600
_cell_angle_alpha 120.49269
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 274.70485
_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 0.73668 0.87790 0.41066 1.00000
Ce2 Ce 0.26332 0.12210 0.58934 1.00000
Ce3 Ce 0.23668 0.12210 0.08934 1.00000
Ce4 Ce 0.76332 0.87790 0.91066 1.00000
V1 V 0.37128 0.68291 0.57687 1.00000
V2 V 0.62872 0.31709 0.42313 1.00000
V3 V 0.87128 0.31709 0.92313 1.00000
V4 V 0.12872 0.68291 0.07687 1.00000
N1 N 0.94706 0.01769 0.71952 1.00000
N2 N 0.05294 0.98231 0.28048 1.00000
N3 N 0.44706 0.98231 0.78048 1.00000
N4 N 0.55294 0.01769 0.21952 1.00000
N5 N 0.30493 0.72622 0.35675 1.00000
N6 N 0.69507 0.27378 0.64325 1.00000
N7 N 0.80493 0.27378 0.14325 1.00000
N8 N 0.19507 0.72622 0.85675 1.00000
N9 N 0.84129 0.62804 0.04514 1.00000
N10 N 0.15871 0.37196 0.95486 1.00000
N11 N 0.34129 0.37196 0.45486 1.00000
N12 N 0.65871 0.62804 0.54514 1.00000
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