Pu2U4Rh
Alexandria ALEXAlex-ID: agm078565748 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6_spg74
URh Pu U
2025-01-10 03:38:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078565748).
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 agm078565748
data_agm078565748
_cell_length_a 6.99549
_cell_length_b 6.99549
_cell_length_c 6.99455
_cell_angle_alpha 72.17412
_cell_angle_beta 107.82588
_cell_angle_gamma 67.18437
_cell_volume 262.81539
_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 0.37483 0.39083 0.98429 1.00000
Pu2 Pu 0.14035 0.12528 0.51547 1.00000
Pu3 Pu 0.87472 0.85965 0.01547 1.00000
Pu4 Pu 0.60917 0.62517 0.48429 1.00000
U1 U 0.22143 0.40043 0.27139 1.00000
U2 U 0.14949 0.82877 0.37166 1.00000
U3 U 0.57804 0.30010 0.72835 1.00000
U4 U 0.04946 0.47234 0.62811 1.00000
U5 U 0.52766 0.95054 0.12811 1.00000
U6 U 0.59957 0.77857 0.77139 1.00000
U7 U 0.17123 0.85051 0.87166 1.00000
U8 U 0.69990 0.42196 0.22835 1.00000
Rh1 Rh 0.99960 0.25038 0.99984 1.00000
Rh2 Rh 0.74962 0.00040 0.49984 1.00000
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