Pu2H5N2
Alexandria ALEXAlex-ID: agm007321812 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1276_spg46
PuHN PuH3 H3N
2024-02-09 11:16:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007321812).
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 agm007321812
data_agm007321812
_cell_length_a 7.17899
_cell_length_b 7.17899
_cell_length_c 11.23246
_cell_angle_alpha 57.63737
_cell_angle_beta 57.63737
_cell_angle_gamma 25.86258
_cell_volume 211.03071
_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 0.38920 0.34625 0.53095 1.00000
Pu2 Pu 0.65375 0.61080 0.46905 1.00000
Pu3 Pu 0.93756 0.89786 0.18134 1.00000
Pu4 Pu 0.10214 0.06244 0.81866 1.00000
H1 H 0.24423 0.02724 0.08088 1.00000
H2 H 0.97276 0.75577 0.91912 1.00000
H3 H 0.03223 0.21519 0.12374 1.00000
H4 H 0.78481 0.96777 0.87626 1.00000
H5 H 0.84014 0.79710 0.42379 1.00000
H6 H 0.20290 0.15986 0.57621 1.00000
H7 H 0.48927 0.44120 0.28596 1.00000
H8 H 0.55880 0.51073 0.71404 1.00000
H9 H 0.25395 0.20865 0.21480 1.00000
H10 H 0.79135 0.74605 0.78520 1.00000
N1 N 0.02114 0.97886 0.50000 1.00000
N2 N 0.51404 0.48596 0.00000 1.00000
N3 N 0.75976 0.71955 0.71745 1.00000
N4 N 0.28045 0.24024 0.28255 1.00000
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