NdNO6
Alexandria ALEXAlex-ID: agm005262345 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_552_spg12
NdO5 Nd(NO3)3 NdO2
2023-05-07 11:20:49.564274
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005262345).
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 agm005262345
data_agm005262345
_cell_length_a 9.27397
_cell_length_b 9.27397
_cell_length_c 5.94360
_cell_angle_alpha 73.89243
_cell_angle_beta 73.89243
_cell_angle_gamma 29.93230
_cell_volume 244.32605
_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 0.81207 0.81207 0.19520 1.00000
Nd2 Nd 0.18793 0.18793 0.80480 1.00000
N1 N 0.39197 0.39197 0.90191 1.00000
N2 N 0.60803 0.60803 0.09809 1.00000
O1 O 0.31482 0.31482 0.95197 1.00000
O2 O 0.68518 0.68518 0.04803 1.00000
O3 O 0.90102 0.90102 0.38149 1.00000
O4 O 0.09898 0.09898 0.61851 1.00000
O5 O 0.29905 0.29905 0.41905 1.00000
O6 O 0.70095 0.70095 0.58095 1.00000
O7 O 0.22788 0.22788 0.36978 1.00000
O8 O 0.77212 0.77212 0.63022 1.00000
O9 O 0.65499 0.19470 0.88824 1.00000
O10 O 0.19470 0.65499 0.88824 1.00000
O11 O 0.34501 0.80530 0.11176 1.00000
O12 O 0.80530 0.34501 0.11176 1.00000
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