NpNb2CoN4
Alexandria ALEXAlex-ID: agm017547804 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_403_spg63
Np7N12 NbN Nb5N6 Co
2024-06-27 08:19:43.941691
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017547804).
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 agm017547804
data_agm017547804
_cell_length_a 5.56113
_cell_length_b 5.56113
_cell_length_c 10.77666
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 147.04116
_cell_volume 181.31710
_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
Np1 Np 0.89060 0.10940 0.75000 1.00000
Np2 Np 0.10940 0.89060 0.25000 1.00000
Nb1 Nb 0.63137 0.36863 0.55612 1.00000
Nb2 Nb 0.36863 0.63137 0.05612 1.00000
Nb3 Nb 0.36863 0.63137 0.44388 1.00000
Nb4 Nb 0.63137 0.36863 0.94388 1.00000
Co1 Co 0.15920 0.84080 0.75000 1.00000
Co2 Co 0.84080 0.15920 0.25000 1.00000
N1 N 0.72509 0.27491 0.11599 1.00000
N2 N 0.27491 0.72509 0.61599 1.00000
N3 N 0.27491 0.72509 0.88401 1.00000
N4 N 0.72509 0.27491 0.38401 1.00000
N5 N 0.00000 0.00000 0.50000 1.00000
N6 N 0.00000 0.00000 0.00000 1.00000
N7 N 0.54699 0.45301 0.75000 1.00000
N8 N 0.45301 0.54699 0.25000 1.00000
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