HfU(NiH4)2
Alexandria ALEXAlex-ID: agm007610253 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1049_spg2
U4H15 HfNiH3 U(NiH3)2 H2
2024-10-15 11:03:18.300685
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007610253).
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 agm007610253
data_agm007610253
_cell_length_a 6.88609
_cell_length_b 6.88609
_cell_length_c 6.88609
_cell_angle_alpha 35.10462
_cell_angle_beta 35.10462
_cell_angle_gamma 35.10462
_cell_volume 96.43445
_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
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
U1 U 0.50000 0.50000 0.50000 1.00000
Ni1 Ni 0.29026 0.29026 0.29026 1.00000
Ni2 Ni 0.70974 0.70974 0.70974 1.00000
H1 H 0.16259 0.16259 0.16259 1.00000
H2 H 0.06557 0.06557 0.59555 1.00000
H3 H 0.83741 0.83741 0.83741 1.00000
H4 H 0.06557 0.59555 0.06557 1.00000
H5 H 0.93443 0.40445 0.93443 1.00000
H6 H 0.59555 0.06557 0.06557 1.00000
H7 H 0.40445 0.93443 0.93443 1.00000
H8 H 0.93443 0.93443 0.40445 1.00000
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