NiNO
Alexandria ALEXAlex-ID: agm005704491 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_9473_spg14
N2 NiO
2023-06-18 04:20:56.509950
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704491).
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 agm005704491
data_agm005704491
_cell_length_a 2.96452
_cell_length_b 5.82376
_cell_length_c 8.17713
_cell_angle_alpha 80.36794
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 139.18506
_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
Ni1 Ni 0.75197 0.40527 0.37166 1.00000
Ni2 Ni 0.25197 0.09473 0.62834 1.00000
Ni3 Ni 0.24803 0.59473 0.62834 1.00000
Ni4 Ni 0.74803 0.90527 0.37166 1.00000
N1 N 0.42158 0.01744 0.93721 1.00000
N2 N 0.92158 0.48256 0.06279 1.00000
N3 N 0.57842 0.98256 0.06279 1.00000
N4 N 0.07842 0.51744 0.93721 1.00000
O1 O 0.74928 0.34404 0.63129 1.00000
O2 O 0.24928 0.15596 0.36871 1.00000
O3 O 0.25072 0.65596 0.36871 1.00000
O4 O 0.75072 0.84404 0.63129 1.00000
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