NdWNO3
Alexandria ALEXAlex-ID: agm005288256 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_41_spg1
Nd2WO6 W2N3 N2
2023-05-05 07:26:38.082280
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288256).
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 agm005288256
data_agm005288256
_cell_length_a 5.22499
_cell_length_b 5.53271
_cell_length_c 6.64488
_cell_angle_alpha 111.55470
_cell_angle_beta 107.12781
_cell_angle_gamma 93.51207
_cell_volume 167.60366
_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 0.88560 0.64476 0.26234 1.00000
Nd2 Nd 0.12085 0.36395 0.74252 1.00000
W1 W 0.38771 0.13550 0.21722 1.00000
W2 W 0.60929 0.86638 0.79261 1.00000
N1 N 0.46718 0.81171 0.06160 1.00000
N2 N 0.30578 0.64651 0.57849 1.00000
O1 O 0.10530 0.28747 0.08108 1.00000
O2 O 0.79679 0.95159 0.61304 1.00000
O3 O 0.52136 0.21586 0.94155 1.00000
O4 O 0.86375 0.66785 0.90037 1.00000
O5 O 0.72260 0.35212 0.41066 1.00000
O6 O 0.21378 0.05630 0.39854 1.00000
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