Pu2H5N2
Alexandria ALEXAlex-ID: agm007135899 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_389_spg38
PuHN PuH3 H3N
2024-01-31 18:14:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007135899).
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 agm007135899
data_agm007135899
_cell_length_a 8.24469
_cell_length_b 8.24469
_cell_length_c 3.29813
_cell_angle_alpha 78.45807
_cell_angle_beta 78.45807
_cell_angle_gamma 59.98878
_cell_volume 188.88050
_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 0.08915 0.41140 0.74956 1.00000
Pu2 Pu 0.58860 0.91085 0.25044 1.00000
Pu3 Pu 0.79853 0.20147 0.00000 1.00000
Pu4 Pu 0.29770 0.70230 0.50000 1.00000
H1 H 0.33857 0.22573 0.21771 1.00000
H2 H 0.27852 0.16715 0.27712 1.00000
H3 H 0.83285 0.72148 0.72288 1.00000
H4 H 0.77427 0.66143 0.78229 1.00000
H5 H 0.73930 0.48861 0.38594 1.00000
H6 H 0.00890 0.76310 0.11388 1.00000
H7 H 0.23690 0.99110 0.88612 1.00000
H8 H 0.51139 0.26070 0.61406 1.00000
H9 H 0.50749 0.49251 0.00000 1.00000
H10 H 0.00751 0.99249 0.50000 1.00000
N1 N 0.11199 0.62004 0.13396 1.00000
N2 N 0.88216 0.38486 0.36643 1.00000
N3 N 0.61514 0.11784 0.63357 1.00000
N4 N 0.37996 0.88801 0.86604 1.00000
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