Pu2URh2
Alexandria ALEXAlex-ID: agm005961886 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_213_spg12
PuURh2 Pu
2023-08-04 10:56:23.399550
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961886).
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 agm005961886
data_agm005961886
_cell_length_a 4.41344
_cell_length_b 5.77248
_cell_length_c 8.96744
_cell_angle_alpha 103.14354
_cell_angle_beta 75.75426
_cell_angle_gamma 67.52486
_cell_volume 190.98071
_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 0.04627 0.30377 0.60369 1.00000
Pu2 Pu 0.70955 0.75519 0.82571 1.00000
Pu3 Pu 0.95373 0.69623 0.39631 1.00000
Pu4 Pu 0.29045 0.24481 0.17429 1.00000
U1 U 0.47376 0.28276 0.76972 1.00000
U2 U 0.52624 0.71724 0.23028 1.00000
Rh1 Rh 0.68826 0.23414 0.38934 1.00000
Rh2 Rh 0.93189 0.20145 0.93476 1.00000
Rh3 Rh 0.31174 0.76586 0.61066 1.00000
Rh4 Rh 0.06811 0.79855 0.06524 1.00000
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