PuZr4Rh
Alexandria ALEXAlex-ID: agm003755446 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1218_spg15
Zr2Rh Pu Zr
2022-04-19 13:02:04.301773
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003755446).
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 agm003755446
data_agm003755446
_cell_length_a 5.64302
_cell_length_b 8.06900
_cell_length_c 7.38277
_cell_angle_alpha 114.57689
_cell_angle_beta 101.27302
_cell_angle_gamma 109.97602
_cell_volume 263.95635
_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 0.35981 0.60981 0.21961 1.00000
Pu2 Pu 0.64019 0.39019 0.78039 1.00000
Zr1 Zr 0.05058 0.19129 0.80663 1.00000
Zr2 Zr 0.76665 0.71280 0.63009 1.00000
Zr3 Zr 0.25605 0.61534 0.80663 1.00000
Zr4 Zr 0.36343 0.91729 0.63009 1.00000
Zr5 Zr 0.63657 0.08271 0.36991 1.00000
Zr6 Zr 0.74395 0.38466 0.19337 1.00000
Zr7 Zr 0.23335 0.28720 0.36991 1.00000
Zr8 Zr 0.94942 0.80871 0.19337 1.00000
Rh1 Rh 0.25286 0.00286 0.00573 1.00000
Rh2 Rh 0.74714 0.99714 0.99427 1.00000
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