Pu5TaRu6
Alexandria ALEXAlex-ID: agm006135643 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
PuTa2Ru3 PuRu
2023-09-05 09:00:03.145329
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006135643).
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 agm006135643
data_agm006135643
_cell_length_a 4.60446
_cell_length_b 6.97223
_cell_length_c 7.38619
_cell_angle_alpha 90.00005
_cell_angle_beta 71.83866
_cell_angle_gamma 90.00015
_cell_volume 225.30891
_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
Ru1 Ru 0.84133 0.76736 0.31734 1.00000
Ru2 Ru 0.84133 0.23264 0.31734 1.00000
Ru3 Ru 0.50000 0.22424 1.00000 1.00000
Ru4 Ru 0.50000 0.77576 0.00000 1.00000
Ru5 Ru 0.15867 0.76736 0.68266 1.00000
Ru6 Ru 0.15867 0.23264 0.68266 1.00000
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.66776 0.50000 0.66448 1.00000
Pu2 Pu 0.33423 0.00000 0.33153 1.00000
Pu3 Pu 0.00000 0.50000 0.00000 1.00000
Pu4 Pu 0.66577 1.00000 0.66847 1.00000
Pu5 Pu 0.33224 0.50000 0.33552 1.00000
Get direct link