NdWN2
Alexandria ALEXAlex-ID: agm005802999 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_229_spg62
Nd2WN4 W
2023-07-13 02:50:24.369431
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802999).
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 agm005802999
data_agm005802999
_cell_length_a 3.31758
_cell_length_b 5.89448
_cell_length_c 10.76323
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 210.47909
_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 0.75000 0.07916 0.14401 1.00000
Nd2 Nd 0.25000 0.92084 0.85599 1.00000
Nd3 Nd 0.75000 0.57916 0.35599 1.00000
Nd4 Nd 0.25000 0.42084 0.64401 1.00000
W1 W 0.25000 0.56221 0.09416 1.00000
W2 W 0.25000 0.06221 0.40584 1.00000
W3 W 0.75000 0.43779 0.90584 1.00000
W4 W 0.75000 0.93779 0.59416 1.00000
N1 N 0.75000 0.24440 0.48772 1.00000
N2 N 0.25000 0.75560 0.51228 1.00000
N3 N 0.75000 0.74440 0.01228 1.00000
N4 N 0.25000 0.25560 0.98772 1.00000
N5 N 0.75000 0.16414 0.74647 1.00000
N6 N 0.25000 0.33586 0.24647 1.00000
N7 N 0.75000 0.66414 0.75353 1.00000
N8 N 0.25000 0.83586 0.25353 1.00000
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