Sr2PuN3
Alexandria ALEXAlex-ID: agm005665104 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_670_spg167
SrPuN2 Sr4PuN5
2023-08-23 22:44:04.731272
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665104).
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 agm005665104
data_agm005665104
_cell_length_a 6.12555
_cell_length_b 6.12549
_cell_length_c 7.07323
_cell_angle_alpha 64.34256
_cell_angle_beta 64.33957
_cell_angle_gamma 60.00008
_cell_volume 199.05122
_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
Sr1 Sr 0.17354 0.17353 0.47940 1.00000
Sr2 Sr 0.32646 0.32647 0.02060 1.00000
Sr3 Sr 0.82646 0.82647 0.52060 1.00000
Sr4 Sr 0.67354 0.67353 0.97939 1.00000
Pu1 Pu 0.50001 0.50000 0.49999 1.00000
Pu2 Pu 0.00001 0.00001 0.99999 1.00000
N1 N 0.84136 0.65862 0.25001 1.00000
N2 N 0.25000 0.84137 0.25000 1.00000
N3 N 0.75000 0.15862 0.75000 1.00000
N4 N 0.34136 0.75001 0.75001 1.00000
N5 N 0.15863 0.34137 0.75000 1.00000
N6 N 0.65863 0.25000 0.25000 1.00000
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