PrUF7
Alexandria ALEXAlex-ID: agm024158603 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_7_spg14
PrU3F15 PrF3
2024-12-21 13:09:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024158603).
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 agm024158603
data_agm024158603
_cell_length_a 9.61559
_cell_length_b 6.13245
_cell_length_c 12.98644
_cell_angle_alpha 90.00000
_cell_angle_beta 117.41099
_cell_angle_gamma 90.00000
_cell_volume 679.79672
_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
Pr1 Pr 0.81441 0.25495 0.23243 1.00000
Pr2 Pr 0.18559 0.75495 0.26757 1.00000
Pr3 Pr 0.18559 0.74505 0.76757 1.00000
Pr4 Pr 0.81441 0.24505 0.73243 1.00000
U1 U 0.27347 0.25359 0.04422 1.00000
U2 U 0.72653 0.75359 0.45578 1.00000
U3 U 0.72653 0.74641 0.95578 1.00000
U4 U 0.27347 0.24641 0.54422 1.00000
F1 F 0.71078 0.52248 0.57922 1.00000
F2 F 0.28922 0.02248 0.92078 1.00000
F3 F 0.28922 0.47752 0.42078 1.00000
F4 F 0.71078 0.97752 0.07922 1.00000
F5 F 0.28556 0.54286 0.94696 1.00000
F6 F 0.71444 0.04286 0.55304 1.00000
F7 F 0.71444 0.45714 0.05304 1.00000
F8 F 0.28556 0.95714 0.44696 1.00000
F9 F 0.52570 0.24016 0.64613 1.00000
F10 F 0.47430 0.74016 0.85387 1.00000
F11 F 0.47430 0.75984 0.35387 1.00000
F12 F 0.52570 0.25984 0.14613 1.00000
F13 F 0.02158 0.24377 0.43989 1.00000
F14 F 0.97842 0.74377 0.06011 1.00000
F15 F 0.97842 0.75623 0.56011 1.00000
F16 F 0.02158 0.25623 0.93989 1.00000
F17 F 0.73610 0.01505 0.84684 1.00000
F18 F 0.26390 0.51505 0.65316 1.00000
F19 F 0.26390 0.98495 0.15316 1.00000
F20 F 0.73610 0.48495 0.34684 1.00000
F21 F 0.74936 0.97108 0.32907 1.00000
F22 F 0.25064 0.47108 0.17093 1.00000
F23 F 0.25064 0.02892 0.67093 1.00000
F24 F 0.74936 0.52892 0.82907 1.00000
F25 F 0.97607 0.55738 0.26013 1.00000
F26 F 0.02393 0.05738 0.23987 1.00000
F27 F 0.02393 0.44262 0.73987 1.00000
F28 F 0.97607 0.94262 0.76013 1.00000
