PuBrClF
Alexandria ALEXAlex-ID: agm005189463 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_435_spg8
PuBr3 PuCl3 PuF3
2022-07-10 12:09:28.439963
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005189463).
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 agm005189463
data_agm005189463
_cell_length_a 4.21307
_cell_length_b 4.21266
_cell_length_c 7.82263
_cell_angle_alpha 74.39465
_cell_angle_beta 74.37811
_cell_angle_gamma 59.99679
_cell_volume 114.27960
_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 0.11003 0.39483 0.38511 1.00000
Br1 Br 0.99015 0.27515 0.74456 1.00000
Cl1 Cl 0.51181 0.79605 0.18033 1.00000
F1 F 0.76609 0.05103 0.41679 1.00000
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