Hf5(NbH2)2
Alexandria ALEXAlex-ID: agm006350165 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_304_spg71
HfNb17 Hf HfH
2024-02-24 11:32:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006350165).
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 agm006350165
data_agm006350165
_cell_length_a 7.86643
_cell_length_b 7.86643
_cell_length_c 7.69992
_cell_angle_alpha 61.21177
_cell_angle_beta 61.21177
_cell_angle_gamma 21.85907
_cell_volume 154.60003
_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 0.14197 0.14197 0.65792 1.00000
Hf2 Hf 0.85803 0.85803 0.34208 1.00000
Hf3 Hf 0.21650 0.21650 0.20702 1.00000
Hf4 Hf 0.50000 0.50000 0.50000 1.00000
Hf5 Hf 0.78350 0.78350 0.79298 1.00000
Nb1 Nb 0.57016 0.57016 0.06888 1.00000
Nb2 Nb 0.42984 0.42984 0.93112 1.00000
H1 H 0.65027 0.65027 0.43860 1.00000
H2 H 0.06516 0.06516 0.26054 1.00000
H3 H 0.34973 0.34973 0.56140 1.00000
H4 H 0.93484 0.93484 0.73946 1.00000
Get direct link