Pu3(NpTi)2
Alexandria ALEXAlex-ID: agm009081663 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_23_spg12
Pu Np Ti
2024-03-08 11:03:34.775942
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009081663).
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 agm009081663
data_agm009081663
_cell_length_a 4.56554
_cell_length_b 4.56637
_cell_length_c 7.52067
_cell_angle_alpha 72.33611
_cell_angle_beta 72.34046
_cell_angle_gamma 60.01370
_cell_volume 127.19545
_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 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.29002 0.28997 0.12981 1.00000
Pu3 Pu 0.70998 0.71003 0.87019 1.00000
Np1 Np 0.17348 0.17346 0.47950 1.00000
Np2 Np 0.82652 0.82654 0.52050 1.00000
Ti1 Ti 0.43351 0.43334 0.69971 1.00000
Ti2 Ti 0.56649 0.56666 0.30029 1.00000
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