UPbF7
Alexandria ALEXAlex-ID: agm024197340 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
UF5 PbF2
2025-01-22 13:34:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024197340).
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 agm024197340
data_agm024197340
_cell_length_a 5.87641
_cell_length_b 6.93864
_cell_length_c 8.48000
_cell_angle_alpha 90.00000
_cell_angle_beta 95.78399
_cell_angle_gamma 90.00000
_cell_volume 344.00599
_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
U1 U 0.17332 0.75000 0.73503 1.00000
U2 U 0.82668 0.25000 0.26497 1.00000
Pb1 Pb 0.65741 0.25000 0.71337 1.00000
Pb2 Pb 0.34259 0.75000 0.28663 1.00000
F1 F 0.91304 0.94848 0.78096 1.00000
F2 F 0.08696 0.05152 0.21904 1.00000
F3 F 0.08696 0.44848 0.21904 1.00000
F4 F 0.91304 0.55152 0.78096 1.00000
F5 F 0.35269 0.47394 0.74883 1.00000
F6 F 0.64731 0.52606 0.25117 1.00000
F7 F 0.64731 0.97394 0.25117 1.00000
F8 F 0.35269 0.02606 0.74883 1.00000
F9 F 0.70122 0.25000 0.02386 1.00000
F10 F 0.29878 0.75000 0.97614 1.00000
F11 F 0.54437 0.25000 0.43412 1.00000
F12 F 0.45563 0.75000 0.56588 1.00000
F13 F 0.98904 0.25000 0.49653 1.00000
F14 F 0.01096 0.75000 0.50347 1.00000
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