CeNp4N5
Alexandria ALEXAlex-ID: agm059797007 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_659_spg160
CeNpN2 NpN
2024-10-30 16:36:13.922117
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059797007).
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
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# CIF generated by HEAS from Alexandria entry agm059797007
data_agm059797007
_cell_length_a 14.36135
_cell_length_b 14.36135
_cell_length_c 14.36135
_cell_angle_alpha 13.80404
_cell_angle_beta 13.80404
_cell_angle_gamma 13.80404
_cell_volume 146.74397
_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 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.40138 0.40138 0.40138 1.00000
Np2 Np 0.80063 0.80063 0.80063 1.00000
Np3 Np 0.19937 0.19937 0.19937 1.00000
Np4 Np 0.59862 0.59862 0.59862 1.00000
N1 N 0.29611 0.29611 0.29611 1.00000
N2 N 0.50000 0.50000 0.50000 1.00000
N3 N 0.89937 0.89937 0.89937 1.00000
N4 N 0.70389 0.70389 0.70389 1.00000
N5 N 0.10063 0.10063 0.10063 1.00000
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