Pu5NpSb6
Alexandria ALEXAlex-ID: agm006113347 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_156_spg12
Np2Sb Pu4Sb3 PuSb2
2023-09-06 02:52:48.737387
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113347).
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 agm006113347
data_agm006113347
_cell_length_a 4.42205
_cell_length_b 14.65489
_cell_length_c 9.87277
_cell_angle_alpha 137.82191
_cell_angle_beta 102.94101
_cell_angle_gamma 98.67791
_cell_volume 366.32771
_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
Np1 Np 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.24773 0.08236 0.41309 1.00000
Sb2 Sb 0.74993 0.58319 0.91669 1.00000
Sb3 Sb 0.74806 0.24828 0.24780 1.00000
Sb4 Sb 0.25194 0.75172 0.75220 1.00000
Sb5 Sb 0.25007 0.41681 0.08331 1.00000
Sb6 Sb 0.75227 0.91764 0.58691 1.00000
Pu1 Pu 0.49905 0.16684 0.83127 1.00000
Pu2 Pu 0.00096 0.33383 0.66809 1.00000
Pu3 Pu 0.50000 0.50000 0.50000 1.00000
Pu4 Pu 0.99904 0.66617 0.33191 1.00000
Pu5 Pu 0.50095 0.83316 0.16873 1.00000
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