PuHF4
Alexandria ALEXAlex-ID: agm005778659 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2442_spg11
Pu2F7 H9F HF
2023-07-10 02:30:46.870151
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778659).
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 agm005778659
data_agm005778659
_cell_length_a 3.86372
_cell_length_b 6.99443
_cell_length_c 6.51661
_cell_angle_alpha 90.00002
_cell_angle_beta 103.77348
_cell_angle_gamma 90.00000
_cell_volume 171.04398
_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 0.22762 0.75000 0.44452 1.00000
Pu2 Pu 0.77238 0.25000 0.55548 1.00000
H1 H 0.95721 0.75000 0.90570 1.00000
H2 H 0.04279 0.25000 0.09430 1.00000
F1 F 0.07949 0.75000 0.08226 1.00000
F2 F 0.92051 0.25000 0.91774 1.00000
F3 F 0.84552 0.75000 0.72511 1.00000
F4 F 0.15448 0.25000 0.27489 1.00000
F5 F 0.30327 0.05335 0.63211 1.00000
F6 F 0.69673 0.55335 0.36789 1.00000
F7 F 0.30327 0.44665 0.63211 1.00000
F8 F 0.69673 0.94665 0.36789 1.00000
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