ScUF7
Alexandria ALEXAlex-ID: agm024220799 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_7_spg14
UF4 ScF3
2024-12-05 05:29:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024220799).
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 agm024220799
data_agm024220799
_cell_length_a 9.18189
_cell_length_b 5.77648
_cell_length_c 12.19219
_cell_angle_alpha 90.00000
_cell_angle_beta 118.28097
_cell_angle_gamma 90.00000
_cell_volume 569.47232
_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
Sc1 Sc 0.77131 0.25185 0.54053 1.00000
Sc2 Sc 0.22869 0.75185 0.95947 1.00000
Sc3 Sc 0.22869 0.74815 0.45947 1.00000
Sc4 Sc 0.77131 0.24815 0.04053 1.00000
U1 U 0.30434 0.25304 0.73457 1.00000
U2 U 0.69566 0.75304 0.76543 1.00000
U3 U 0.69566 0.74696 0.26543 1.00000
U4 U 0.30434 0.24696 0.23457 1.00000
F1 F 0.20969 0.53649 0.08204 1.00000
F2 F 0.79031 0.03649 0.41796 1.00000
F3 F 0.79031 0.46351 0.91796 1.00000
F4 F 0.20969 0.96351 0.58204 1.00000
F5 F 0.77066 0.54421 0.44470 1.00000
F6 F 0.22934 0.04421 0.05530 1.00000
F7 F 0.22934 0.45579 0.55530 1.00000
F8 F 0.77066 0.95579 0.94470 1.00000
F9 F 0.02147 0.22741 0.14129 1.00000
F10 F 0.97853 0.72741 0.35871 1.00000
F11 F 0.97853 0.77259 0.85871 1.00000
F12 F 0.02147 0.27259 0.64129 1.00000
F13 F 0.52313 0.24800 0.93877 1.00000
F14 F 0.47687 0.74800 0.56123 1.00000
F15 F 0.47687 0.75200 0.06123 1.00000
F16 F 0.52313 0.25200 0.43877 1.00000
F17 F 0.23138 0.01302 0.35023 1.00000
F18 F 0.76862 0.51302 0.14977 1.00000
F19 F 0.76862 0.98698 0.64977 1.00000
F20 F 0.23138 0.48698 0.85023 1.00000
F21 F 0.24947 0.96463 0.82953 1.00000
F22 F 0.75053 0.46463 0.67047 1.00000
F23 F 0.75053 0.03537 0.17047 1.00000
F24 F 0.24947 0.53537 0.32953 1.00000
F25 F 0.47747 0.58360 0.76865 1.00000
F26 F 0.52253 0.08360 0.73135 1.00000
F27 F 0.52253 0.41640 0.23135 1.00000
F28 F 0.47747 0.91640 0.26865 1.00000
