Hf2NiH7
Alexandria ALEXAlex-ID: agm006200786 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
Hf4H15 HfNiH3 H2
2023-11-24 16:46:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200786).
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 agm006200786
data_agm006200786
_cell_length_a 4.60664
_cell_length_b 4.60651
_cell_length_c 5.99309
_cell_angle_alpha 112.47446
_cell_angle_beta 67.48767
_cell_angle_gamma 119.96017
_cell_volume 98.84320
_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 0.09500 0.76756 0.16482 1.00000
H2 H 0.85134 0.94421 0.82882 1.00000
H3 H 0.38524 0.47795 0.82878 1.00000
H4 H 0.09507 0.23345 0.16512 1.00000
H5 H 0.47311 0.85510 0.49673 1.00000
H6 H 0.56131 0.23369 0.16477 1.00000
H7 H 0.85127 0.47793 0.82858 1.00000
Hf1 Hf 0.35242 0.97691 0.85938 1.00000
Hf2 Hf 0.59429 0.73467 0.13404 1.00000
Ni1 Ni 0.97334 0.35591 0.99713 1.00000
Get direct link