CeNp2CrN5
Alexandria ALEXAlex-ID: agm005177239 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_41_spg140
Ce2CrN3 NpCrN2 Ce3(CrN3)2 Np2N3
2023-01-16 17:08:44.410363
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005177239).
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 agm005177239
data_agm005177239
_cell_length_a 6.46506
_cell_length_b 6.46506
_cell_length_c 7.15721
_cell_angle_alpha 116.84938
_cell_angle_beta 116.84938
_cell_angle_gamma 90.00000
_cell_volume 230.17687
_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 0.25000 0.25000 0.50000 1.00000
Ce2 Ce 0.75000 0.75000 0.50000 1.00000
Np1 Np 0.17112 0.32888 0.00000 1.00000
Np2 Np 0.67112 0.17112 1.00000 1.00000
Np3 Np 0.32888 0.82888 0.00000 1.00000
Np4 Np 0.82888 0.67112 0.00000 1.00000
Cr1 Cr 0.25000 0.75000 0.50000 1.00000
Cr2 Cr 0.75000 0.25000 0.50000 1.00000
N1 N 0.99245 0.49245 0.28415 1.00000
N2 N 0.70830 0.20830 0.71585 1.00000
N3 N 0.00755 0.50755 0.71585 1.00000
N4 N 0.20830 0.00755 0.71585 1.00000
N5 N 0.50755 0.70830 0.71585 1.00000
N6 N 0.79170 0.99245 0.28415 1.00000
N7 N 0.49245 0.29170 0.28415 1.00000
N8 N 0.29170 0.79170 0.28415 1.00000
N9 N 0.50000 0.50000 0.00000 1.00000
N10 N 0.00000 0.00000 0.00000 1.00000
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