Pu2H5N2
Alexandria ALEXAlex-ID: agm007294976 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_991_spg12
PuHN PuH3 H3N
2024-02-09 09:57:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007294976).
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 agm007294976
data_agm007294976
_cell_length_a 3.49388
_cell_length_b 3.48850
_cell_length_c 9.73716
_cell_angle_alpha 99.13865
_cell_angle_beta 86.23549
_cell_angle_gamma 64.61348
_cell_volume 104.66236
_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 0.60231 0.76889 0.15096 1.00000
Pu2 Pu 0.39769 0.23111 0.84904 1.00000
H1 H 0.98009 0.56928 0.62825 1.00000
H2 H 0.01991 0.43072 0.37175 1.00000
H3 H 0.74296 0.17282 0.39725 1.00000
H4 H 0.25704 0.82718 0.60275 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
N1 N 0.89559 0.24242 0.31739 1.00000
N2 N 0.10441 0.75758 0.68261 1.00000
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