Pu6CrRu5
Alexandria ALEXAlex-ID: agm006135656 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Pu Cr PuRu
2023-08-26 07:50:09.632381
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006135656).
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 agm006135656
data_agm006135656
_cell_length_a 4.53522
_cell_length_b 6.99082
_cell_length_c 8.26150
_cell_angle_alpha 69.28018
_cell_angle_beta 74.48758
_cell_angle_gamma 90.33406
_cell_volume 234.59387
_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
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.63417 0.15716 0.73056 1.00000
Ru2 Ru 0.35417 0.38809 0.29953 1.00000
Ru3 Ru 0.00000 0.50000 0.00000 1.00000
Ru4 Ru 0.64583 0.61191 0.70047 1.00000
Ru5 Ru 0.36583 0.84284 0.26944 1.00000
Pu1 Pu 0.83318 0.60676 0.33790 1.00000
Pu2 Pu 0.81379 0.10728 0.37521 1.00000
Pu3 Pu 0.51458 0.75509 0.97064 1.00000
Pu4 Pu 0.48542 0.24491 0.02936 1.00000
Pu5 Pu 0.18621 0.89272 0.62479 1.00000
Pu6 Pu 0.16682 0.39324 0.66210 1.00000
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