UH4
Alexandria ALEXAlex-ID: agm091097933 · Space group: C222_1 (#20)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_2638_spg20
U4H15 H2
2025-05-27 17:47:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm091097933).
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 agm091097933
data_agm091097933
_cell_length_a 6.10371
_cell_length_b 6.11977
_cell_length_c 6.62335
_cell_angle_alpha 90.00038
_cell_angle_beta 89.99678
_cell_angle_gamma 141.34774
_cell_volume 154.52646
_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 0.13631 0.13660 0.95021 1.00000
U2 U 0.36372 0.36339 0.45017 1.00000
U3 U 0.53168 0.96658 0.69983 1.00000
U4 U 0.96833 0.53337 0.19988 1.00000
H1 H 0.74797 0.09136 0.01119 1.00000
H2 H 0.38183 0.11918 0.19965 1.00000
H3 H 0.09524 0.75308 0.89150 1.00000
H4 H 0.26447 0.58890 0.96309 1.00000
H5 H 0.23551 0.91102 0.46306 1.00000
H6 H 0.11816 0.38069 0.69974 1.00000
H7 H 0.90763 0.23131 0.43530 1.00000
H8 H 0.75195 0.40859 0.51126 1.00000
H9 H 0.85954 0.92513 0.59854 1.00000
H10 H 0.92587 0.86069 0.30101 1.00000
H11 H 0.64018 0.57479 0.09878 1.00000
H12 H 0.57416 0.63927 0.80100 1.00000
H13 H 0.14967 0.35379 0.19982 1.00000
H14 H 0.59287 0.26943 0.93501 1.00000
H15 H 0.34958 0.14544 0.69970 1.00000
H16 H 0.40535 0.74738 0.39125 1.00000
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