Pu7U3Fe4
Alexandria ALEXAlex-ID: agm010091684 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_110_spg2
U2Fe3 Pu U
2024-03-21 07:09:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010091684).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm010091684
data_agm010091684
_cell_length_a 4.23924
_cell_length_b 6.77597
_cell_length_c 9.03793
_cell_angle_alpha 85.03720
_cell_angle_beta 104.58256
_cell_angle_gamma 97.30084
_cell_volume 248.81188
_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 0.71527 0.98044 0.43387 1.00000
Pu2 Pu 0.28941 0.68367 0.75271 1.00000
Pu3 Pu 0.80341 0.53738 0.88076 1.00000
Pu4 Pu 0.28473 0.01956 0.56613 1.00000
Pu5 Pu 0.19659 0.46262 0.11924 1.00000
Pu6 Pu 0.00000 0.00000 0.00000 1.00000
Pu7 Pu 0.71059 0.31633 0.24729 1.00000
U1 U 0.56172 0.78279 0.18227 1.00000
U2 U 0.43828 0.21721 0.81773 1.00000
U3 U 0.50000 0.50000 0.50000 1.00000
Fe1 Fe 0.11486 0.68963 0.37849 1.00000
Fe2 Fe 0.88514 0.31037 0.62151 1.00000
Fe3 Fe 0.14366 0.05350 0.25320 1.00000
Fe4 Fe 0.85634 0.94650 0.74680 1.00000
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