Pu6TcRh5
Alexandria ALEXAlex-ID: agm006114729 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Pu4TcRh Tc PuRh
2023-09-11 06:20:33.783604
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114729).
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 agm006114729
data_agm006114729
_cell_length_a 4.84504
_cell_length_b 6.77735
_cell_length_c 8.38188
_cell_angle_alpha 66.09407
_cell_angle_beta 73.24909
_cell_angle_gamma 89.91356
_cell_volume 238.84498
_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
Rh1 Rh 0.65980 0.15983 0.68019 1.00000
Rh2 Rh 0.33228 0.33218 0.33612 1.00000
Rh3 Rh 0.00000 0.50000 0.00000 1.00000
Rh4 Rh 0.66772 0.66782 0.66388 1.00000
Rh5 Rh 0.34020 0.84017 0.31981 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.83273 0.58154 0.33495 1.00000
Pu2 Pu 0.83281 0.08365 0.33490 1.00000
Pu3 Pu 0.49993 0.74733 0.99999 1.00000
Pu4 Pu 0.50007 0.25267 0.00001 1.00000
Pu5 Pu 0.16719 0.91635 0.66510 1.00000
Pu6 Pu 0.16727 0.41846 0.66505 1.00000
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