Pu4Cr5
Alexandria ALEXAlex-ID: agm009337347 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_734_spg12
Cr Pu
2024-03-11 21:20:11.721869
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009337347).
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 agm009337347
data_agm009337347
_cell_length_a 6.71630
_cell_length_b 6.71630
_cell_length_c 6.18267
_cell_angle_alpha 70.60740
_cell_angle_beta 70.60740
_cell_angle_gamma 32.62880
_cell_volume 141.09044
_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 0.18803 0.18803 0.69405 1.00000
Pu2 Pu 0.81197 0.81197 0.30595 1.00000
Pu3 Pu 0.57357 0.57357 0.62228 1.00000
Pu4 Pu 0.42643 0.42643 0.37772 1.00000
Cr1 Cr 0.33811 0.33811 0.97326 1.00000
Cr2 Cr 0.66189 0.66189 0.02674 1.00000
Cr3 Cr 0.12689 0.12689 0.25227 1.00000
Cr4 Cr 0.87311 0.87311 0.74773 1.00000
Cr5 Cr 0.00000 0.00000 0.00000 1.00000
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