Pu16N25
Alexandria ALEXAlex-ID: agm007755356 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A16B25_1_spg146
Pu2N3 N2
2024-09-14 07:41:27.862814
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007755356).
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 agm007755356
data_agm007755356
_cell_length_a 9.18960
_cell_length_b 9.18960
_cell_length_c 9.18960
_cell_angle_alpha 109.57954
_cell_angle_beta 109.57954
_cell_angle_gamma 109.57954
_cell_volume 594.99508
_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 0.77532 0.02562 0.25392 1.00000
Pu2 Pu 0.74952 0.22629 0.97372 1.00000
Pu3 Pu 0.97761 0.97761 0.97761 1.00000
Pu4 Pu 0.52612 0.25039 0.27235 1.00000
Pu5 Pu 0.25039 0.27235 0.52612 1.00000
Pu6 Pu 0.02562 0.25392 0.77532 1.00000
Pu7 Pu 0.72324 0.49298 0.74917 1.00000
Pu8 Pu 0.49930 0.49825 0.00534 1.00000
Pu9 Pu 0.27235 0.52612 0.25039 1.00000
Pu10 Pu 0.97372 0.74952 0.22629 1.00000
Pu11 Pu 0.74917 0.72324 0.49298 1.00000
Pu12 Pu 0.49298 0.74917 0.72324 1.00000
Pu13 Pu 0.00534 0.49930 0.49825 1.00000
Pu14 Pu 0.25392 0.77532 0.02562 1.00000
Pu15 Pu 0.22629 0.97372 0.74952 1.00000
Pu16 Pu 0.49825 0.00534 0.49930 1.00000
N1 N 0.02821 0.02607 0.26631 1.00000
N2 N 0.76235 0.23179 0.73041 1.00000
N3 N 0.00077 0.27005 0.53226 1.00000
N4 N 0.46910 0.24152 0.49650 1.00000
N5 N 0.47060 0.00560 0.73133 1.00000
N6 N 0.26907 0.23594 0.77071 1.00000
N7 N 0.02607 0.26631 0.02821 1.00000
N8 N 0.26631 0.02821 0.02607 1.00000
N9 N 0.23179 0.73041 0.76235 1.00000
N10 N 0.27005 0.53226 0.00077 1.00000
N11 N 0.48611 0.52304 0.77710 1.00000
N12 N 0.77710 0.48611 0.52304 1.00000
N13 N 0.24152 0.49650 0.46910 1.00000
N14 N 0.49650 0.46910 0.24152 1.00000
N15 N 0.73133 0.47060 0.00560 1.00000
N16 N 0.77071 0.26907 0.23594 1.00000
N17 N 0.97776 0.72972 0.97927 1.00000
N18 N 0.72972 0.97927 0.97776 1.00000
N19 N 0.73041 0.76235 0.23179 1.00000
N20 N 0.53226 0.00077 0.27005 1.00000
N21 N 0.52304 0.77710 0.48611 1.00000
N22 N 0.72326 0.72326 0.72326 1.00000
N23 N 0.00560 0.73133 0.47060 1.00000
N24 N 0.23594 0.77071 0.26907 1.00000
N25 N 0.97927 0.97776 0.72972 1.00000
