Pu2Np5Sc2
Alexandria ALEXAlex-ID: agm009782841 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_485_spg2
Pu Np Sc
2024-04-01 07:20:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009782841).
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 agm009782841
data_agm009782841
_cell_length_a 3.28070
_cell_length_b 5.36236
_cell_length_c 11.10747
_cell_angle_alpha 103.36008
_cell_angle_beta 95.74658
_cell_angle_gamma 77.45854
_cell_volume 185.32425
_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 0.42060 0.21574 0.76250 1.00000
Pu2 Pu 0.57940 0.78426 0.23750 1.00000
Np1 Np 0.38122 0.80392 0.44679 1.00000
Np2 Np 0.61878 0.19608 0.55321 1.00000
Np3 Np 0.44509 0.37908 0.07515 1.00000
Np4 Np 0.55491 0.62092 0.92485 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.03204 0.29548 0.31466 1.00000
Sc2 Sc 0.96796 0.70452 0.68534 1.00000
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