PuWN3
Alexandria ALEXAlex-ID: agm002223656 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_935_spg2
PuWN3
2018-07-12 21:39:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002223656).
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 agm002223656
data_agm002223656
_cell_length_a 3.46946
_cell_length_b 5.78410
_cell_length_c 7.40992
_cell_angle_alpha 104.96380
_cell_angle_beta 100.60183
_cell_angle_gamma 96.27335
_cell_volume 139.26767
_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
N1 N 0.28907 0.60318 0.20780 1.00000
N2 N 0.71093 0.39682 0.79220 1.00000
N3 N 0.08249 0.06998 0.94653 1.00000
N4 N 0.25022 0.88266 0.60809 1.00000
N5 N 0.91751 0.93002 0.05347 1.00000
N6 N 0.74978 0.11734 0.39191 1.00000
W1 W 0.21163 0.91839 0.33087 1.00000
W2 W 0.78837 0.08161 0.66913 1.00000
Pu1 Pu 0.70663 0.31252 0.13418 1.00000
Pu2 Pu 0.29337 0.68748 0.86582 1.00000
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