Pu4SeN2
Alexandria ALEXAlex-ID: agm096327770 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_179_spg10
PuSe Pu PuN
2025-04-11 10:32:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096327770).
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 agm096327770
data_agm096327770
_cell_length_a 5.88089
_cell_length_b 3.51289
_cell_length_c 7.09942
_cell_angle_alpha 90.00000
_cell_angle_beta 92.49804
_cell_angle_gamma 90.00000
_cell_volume 146.52694
_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 0.15699 0.00000 0.80659 1.00000
Pu2 Pu 0.65497 0.50000 0.79300 1.00000
Pu3 Pu 0.34580 0.50000 0.20127 1.00000
Pu4 Pu 0.83927 0.00000 0.19038 1.00000
Se1 Se 0.00321 0.50000 0.49823 1.00000
N1 N 0.00855 0.50000 0.00326 1.00000
N2 N 0.49121 0.00000 0.00728 1.00000
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