ZrU2F11
Alexandria ALEXAlex-ID: agm018844697 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C11_77_spg5
ZrUF7 Zr2UF11 U4F15
2025-01-02 09:24:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018844697).
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 agm018844697
data_agm018844697
_cell_length_a 8.60514
_cell_length_b 8.60514
_cell_length_c 8.60514
_cell_angle_alpha 121.32005
_cell_angle_beta 102.23248
_cell_angle_gamma 105.56332
_cell_volume 474.19119
_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
Zr1 Zr 0.25000 0.00000 0.25000 1.00000
Zr2 Zr 0.75000 0.00000 0.75000 1.00000
U1 U 0.18244 0.83353 0.65109 1.00000
U2 U 0.81756 0.16647 0.34891 1.00000
U3 U 0.68244 0.53135 0.84891 1.00000
U4 U 0.31756 0.46865 0.15109 1.00000
F1 F 0.20812 0.86728 0.94271 1.00000
F2 F 0.79188 0.13272 0.05729 1.00000
F3 F 0.07542 0.13272 0.34083 1.00000
F4 F 0.42458 0.26541 0.55729 1.00000
F5 F 0.92458 0.86728 0.65917 1.00000
F6 F 0.57542 0.73459 0.44271 1.00000
F7 F 0.29188 0.73459 0.15917 1.00000
F8 F 0.70812 0.26541 0.84083 1.00000
F9 F 0.00000 0.50000 0.50000 1.00000
F10 F 0.50000 0.50000 0.00000 1.00000
F11 F 0.28674 0.16276 0.87602 1.00000
F12 F 0.71326 0.83724 0.12398 1.00000
F13 F 0.78674 0.41072 0.62398 1.00000
F14 F 0.21326 0.58928 0.37602 1.00000
F15 F 0.48392 0.92382 0.73462 1.00000
F16 F 0.51608 0.07618 0.26538 1.00000
F17 F 0.81080 0.07618 0.56010 1.00000
F18 F 0.68920 0.74930 0.76538 1.00000
F19 F 0.18920 0.92382 0.43990 1.00000
F20 F 0.31080 0.25070 0.23462 1.00000
F21 F 0.01608 0.25070 0.93990 1.00000
F22 F 0.98392 0.74930 0.06010 1.00000
