In2Ni6H
Alexandria ALEXAlex-ID: agm005778208 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1731_spg139
InNi InNi3H Ni
2023-07-12 19:40:18.858093
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778208).
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 agm005778208
data_agm005778208
_cell_length_a 5.31270
_cell_length_b 5.31270
_cell_length_c 5.31287
_cell_angle_alpha 59.99666
_cell_angle_beta 59.99666
_cell_angle_gamma 59.99966
_cell_volume 106.02836
_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
In1 In 0.24998 0.24998 0.24986 1.00000
In2 In 0.75002 0.75002 0.75014 1.00000
Ni1 Ni 0.24726 0.24726 0.75246 1.00000
Ni2 Ni 0.24740 0.75265 0.24733 1.00000
Ni3 Ni 0.75260 0.24735 0.75267 1.00000
Ni4 Ni 0.75265 0.24740 0.24733 1.00000
Ni5 Ni 0.24735 0.75260 0.75267 1.00000
Ni6 Ni 0.75274 0.75274 0.24754 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
Get direct link