Pu8Bi3
Alexandria ALEXAlex-ID: agm009708141 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8_40_spg12
Pu4Bi3 Pu
2024-03-23 19:01:56.178203
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009708141).
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 agm009708141
data_agm009708141
_cell_length_a 3.49667
_cell_length_b 5.56024
_cell_length_c 14.89667
_cell_angle_alpha 96.42898
_cell_angle_beta 91.38404
_cell_angle_gamma 105.04108
_cell_volume 277.51661
_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 0.83078 0.48809 0.09846 1.00000
Pu2 Pu 0.16922 0.51191 0.90154 1.00000
Pu3 Pu 0.66232 0.94735 0.78326 1.00000
Pu4 Pu 0.33768 0.05265 0.21674 1.00000
Pu5 Pu 0.37112 0.56068 0.20973 1.00000
Pu6 Pu 0.30554 0.12275 0.53085 1.00000
Pu7 Pu 0.69446 0.87725 0.46915 1.00000
Pu8 Pu 0.62888 0.43932 0.79027 1.00000
Bi1 Bi 0.92225 0.39090 0.38011 1.00000
Bi2 Bi 0.07775 0.60910 0.61989 1.00000
Bi3 Bi 0.00000 0.00000 0.00000 1.00000
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