U(HI4)2
Alexandria ALEXAlex-ID: agm007322477 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_220_spg12
UI6 H6I I
2024-11-07 17:34:28.021678
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007322477).
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 agm007322477
data_agm007322477
_cell_length_a 7.93525
_cell_length_b 7.83177
_cell_length_c 10.58625
_cell_angle_alpha 116.50493
_cell_angle_beta 82.77689
_cell_angle_gamma 105.19766
_cell_volume 568.13642
_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 0.00000 0.00000 0.00000 1.00000
H1 H 0.65590 0.51466 0.65116 1.00000
H2 H 0.34410 0.48534 0.34884 1.00000
I1 I 0.18192 0.09769 0.25235 1.00000
I2 I 0.21032 0.34666 0.98254 1.00000
I3 I 0.81808 0.90231 0.74765 1.00000
I4 I 0.46557 0.70889 0.39175 1.00000
I5 I 0.78968 0.65334 0.01746 1.00000
I6 I 0.25012 0.78289 0.82921 1.00000
I7 I 0.74988 0.21711 0.17079 1.00000
I8 I 0.53443 0.29111 0.60825 1.00000
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