HoU2H7
Alexandria ALEXAlex-ID: agm006209441 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_842_spg1
UH3 U HoH2
2024-02-01 09:58:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209441).
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
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# CIF generated by HEAS from Alexandria entry agm006209441
data_agm006209441
_cell_length_a 6.76825
_cell_length_b 6.42708
_cell_length_c 3.69205
_cell_angle_alpha 117.59371
_cell_angle_beta 65.20423
_cell_angle_gamma 135.00028
_cell_volume 99.55970
_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
H1 H 0.05952 0.77287 0.23393 1.00000
H2 H 0.83478 0.87668 0.76149 1.00000
H3 H 0.34114 0.42327 0.76875 1.00000
H4 H 0.11260 0.26327 0.30686 1.00000
H5 H 0.64890 0.02564 0.49411 1.00000
H6 H 0.52768 0.21229 0.22826 1.00000
H7 H 0.91633 0.54570 0.68897 1.00000
U1 U 0.27975 0.04057 0.78242 1.00000
U2 U 0.58486 0.58324 0.20344 1.00000
Ho1 Ho 0.92684 0.31385 0.99995 1.00000
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