Pr2Pu5Cr2
Alexandria ALEXAlex-ID: agm010050071 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_366_spg12
Pr Pu Cr
2024-03-25 03:25:56.238892
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010050071).
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 agm010050071
data_agm010050071
_cell_length_a 7.10644
_cell_length_b 7.10644
_cell_length_c 7.71936
_cell_angle_alpha 66.96576
_cell_angle_beta 66.96576
_cell_angle_gamma 36.75372
_cell_volume 212.52024
_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
Pr1 Pr 0.63024 0.63024 0.13272 1.00000
Pr2 Pr 0.36976 0.36976 0.86728 1.00000
Pu1 Pu 0.35308 0.35308 0.40953 1.00000
Pu2 Pu 0.64692 0.64692 0.59047 1.00000
Pu3 Pu 0.10481 0.10481 0.78575 1.00000
Pu4 Pu 0.89519 0.89519 0.21425 1.00000
Pu5 Pu 0.00000 0.00000 0.50000 1.00000
Cr1 Cr 0.21603 0.21603 0.33061 1.00000
Cr2 Cr 0.78397 0.78397 0.66939 1.00000
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