NdN4
Alexandria ALEXAlex-ID: agm005544595 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_713_spg1
NdN N2
2023-05-29 03:16:54.574118
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005544595).
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 agm005544595
data_agm005544595
_cell_length_a 4.07598
_cell_length_b 6.77185
_cell_length_c 7.81666
_cell_angle_alpha 120.82173
_cell_angle_beta 82.72040
_cell_angle_gamma 120.16335
_cell_volume 157.69211
_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
Nd1 Nd 0.52957 0.19624 0.64683 1.00000
Nd2 Nd 0.30881 0.41065 0.31768 1.00000
N1 N 0.74680 0.62837 0.67341 1.00000
N2 N 0.99394 0.07981 0.40149 1.00000
N3 N 0.11482 0.42061 0.88128 1.00000
N4 N 0.82093 0.91109 0.45416 1.00000
N5 N 0.70640 0.17054 0.08999 1.00000
N6 N 0.32573 0.48779 0.01339 1.00000
N7 N 0.49277 0.11034 0.96217 1.00000
N8 N 0.96026 0.58459 0.55960 1.00000
Get direct link