LiNb(NiH4)2
Alexandria ALEXAlex-ID: agm007498876 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_204_spg12
NbNiH3 LiNiH3 NbH2 NiH4
2024-10-14 15:21:57.656116
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007498876).
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 agm007498876
data_agm007498876
_cell_length_a 3.16859
_cell_length_b 5.65511
_cell_length_c 5.21552
_cell_angle_alpha 115.29289
_cell_angle_beta 106.96687
_cell_angle_gamma 91.07926
_cell_volume 79.69804
_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
Li1 Li 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.50000 0.50000 0.00000 1.00000
Ni1 Ni 0.28181 0.81645 0.50504 1.00000
Ni2 Ni 0.71819 0.18355 0.49496 1.00000
H1 H 0.11151 0.49811 0.23087 1.00000
H2 H 0.75906 0.70622 0.46702 1.00000
H3 H 0.88849 0.50189 0.76913 1.00000
H4 H 0.41091 0.88537 0.24873 1.00000
H5 H 0.58909 0.11463 0.75127 1.00000
H6 H 0.40321 0.74247 0.79352 1.00000
H7 H 0.59679 0.25753 0.20648 1.00000
H8 H 0.24094 0.29378 0.53298 1.00000
Get direct link