CeNpVN3
Alexandria ALEXAlex-ID: agm005040697 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_393_spg11
NpVN2 CeN
2022-07-07 03:23:47.984100
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005040697).
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 agm005040697
data_agm005040697
_cell_length_a 3.32165
_cell_length_b 7.30574
_cell_length_c 7.41926
_cell_angle_alpha 98.20841
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 178.19984
_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 0.75000 0.83681 0.81626 1.00000
Ce2 Ce 0.25000 0.16319 0.18374 1.00000
Np1 Np 0.25000 0.63974 0.17571 1.00000
Np2 Np 0.75000 0.36026 0.82429 1.00000
V1 V 0.25000 0.10090 0.59041 1.00000
V2 V 0.75000 0.89910 0.40959 1.00000
N1 N 0.25000 0.82602 0.53181 1.00000
N2 N 0.75000 0.87926 0.14548 1.00000
N3 N 0.75000 0.41335 0.12609 1.00000
N4 N 0.75000 0.17398 0.46819 1.00000
N5 N 0.25000 0.58665 0.87391 1.00000
N6 N 0.25000 0.12074 0.85452 1.00000
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