Ce5PuBi
Alexandria ALEXAlex-ID: agm005807306 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_399_spg15
Ce6Pu Ce6PuBi2 Pu
2023-07-14 02:53:35.872696
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807306).
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 agm005807306
data_agm005807306
_cell_length_a 6.29116
_cell_length_b 6.29117
_cell_length_c 11.10658
_cell_angle_alpha 78.06252
_cell_angle_beta 76.95623
_cell_angle_gamma 103.67346
_cell_volume 400.07643
_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
Ce1 Ce 0.89930 0.54671 0.27821 1.00000
Ce2 Ce 0.04855 0.27421 0.50074 1.00000
Ce3 Ce 0.67508 0.82250 0.77821 1.00000
Ce4 Ce 0.87043 0.12044 0.25000 1.00000
Ce5 Ce 0.27495 0.54928 0.99926 1.00000
Ce6 Ce 0.72505 0.45072 0.00074 1.00000
Ce7 Ce 0.12957 0.87956 0.75000 1.00000
Ce8 Ce 0.32492 0.17750 0.22179 1.00000
Ce9 Ce 0.95145 0.72579 0.49926 1.00000
Ce10 Ce 0.10070 0.45329 0.72179 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.50000 0.00000 0.50000 1.00000
Bi1 Bi 0.44891 0.69892 0.25000 1.00000
Bi2 Bi 0.55109 0.30108 0.75000 1.00000
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