Pu2Zn4N5
Alexandria ALEXAlex-ID: agm005684295 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_3_spg166
Zn3N2 Pu2N3 Zn
2023-06-22 07:49:20.210013
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684295).
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
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# CIF generated by HEAS from Alexandria entry agm005684295
data_agm005684295
_cell_length_a 3.45284
_cell_length_b 3.45284
_cell_length_c 14.38183
_cell_angle_alpha 83.10545
_cell_angle_beta 83.10545
_cell_angle_gamma 60.00004
_cell_volume 147.05675
_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
Pu1 Pu 0.86742 0.86742 0.39774 1.00000
Pu2 Pu 0.13258 0.13258 0.60226 1.00000
Zn1 Zn 0.30943 0.30943 0.07171 1.00000
Zn2 Zn 0.40982 0.40982 0.77054 1.00000
Zn3 Zn 0.59018 0.59018 0.22946 1.00000
Zn4 Zn 0.69057 0.69057 0.92829 1.00000
N1 N 0.22964 0.22964 0.31108 1.00000
N2 N 0.36472 0.36472 0.90584 1.00000
N3 N 0.50000 0.50000 0.50000 1.00000
N4 N 0.63528 0.63528 0.09416 1.00000
N5 N 0.77036 0.77036 0.68892 1.00000
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