Pu4Sb2AuN2
Alexandria ALEXAlex-ID: agm004564458 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_207_spg12
Pu2SbN Pu3(SbAu2)2 Pu2SbN2 PuAu2
2022-06-19 19:37:28.892282
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004564458).
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 agm004564458
data_agm004564458
_cell_length_a 3.85553
_cell_length_b 7.23618
_cell_length_c 8.33707
_cell_angle_alpha 113.15452
_cell_angle_beta 103.36939
_cell_angle_gamma 90.00000
_cell_volume 206.98859
_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 0.21707 0.16371 0.43414 1.00000
Pu2 Pu 0.78293 0.83629 0.56586 1.00000
Pu3 Pu 0.54389 0.72979 0.08778 1.00000
Pu4 Pu 0.45611 0.27021 0.91222 1.00000
Sb1 Sb 0.13287 0.50658 0.26573 1.00000
Sb2 Sb 0.86713 0.49342 0.73427 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
N1 N 0.67785 0.97664 0.35569 1.00000
N2 N 0.32215 0.02336 0.64431 1.00000
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