UHg2I5F4
Alexandria ALEXAlex-ID: agm004680484 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D5_43_spg38
UF4 HgI2 I
2022-06-23 01:42:50.114453
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004680484).
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 agm004680484
data_agm004680484
_cell_length_a 8.59911
_cell_length_b 8.03676
_cell_length_c 7.60613
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 122.34299
_cell_volume 444.10282
_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 0.39954 0.00000 0.00000 1.00000
Hg1 Hg 0.97586 0.56473 0.50000 1.00000
Hg2 Hg 0.41112 0.43527 0.50000 1.00000
I1 I 0.18338 0.47956 0.23981 1.00000
I2 I 0.25795 1.00000 0.50000 1.00000
I3 I 0.18338 0.47956 0.76019 1.00000
I4 I 0.70382 0.52044 0.76019 1.00000
I5 I 0.70382 0.52044 0.23981 1.00000
F1 F 0.56834 0.00000 0.18874 1.00000
F2 F 0.56834 0.00000 0.81126 1.00000
F3 F 0.32877 0.20744 0.00000 1.00000
F4 F 0.12133 0.79256 0.00000 1.00000
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