InNiH2
Alexandria ALEXAlex-ID: agm006705486 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1068_spg122
NiH4 InNi InH10
2024-02-24 00:32:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006705486).
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
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# CIF generated by HEAS from Alexandria entry agm006705486
data_agm006705486
_cell_length_a 5.82732
_cell_length_b 4.72243
_cell_length_c 4.91675
_cell_angle_alpha 74.36154
_cell_angle_beta 51.29681
_cell_angle_gamma 54.34165
_cell_volume 84.82649
_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 0.57014 0.57014 0.42986 1.00000
In2 In 0.82014 0.82014 0.67986 1.00000
Ni1 Ni 0.95450 0.95450 0.04550 1.00000
Ni2 Ni 0.20450 0.20450 0.29550 1.00000
H1 H 0.52072 0.20500 0.25665 1.00000
H2 H 0.20500 0.52072 0.01763 1.00000
H3 H 0.23237 0.99335 0.04500 1.00000
H4 H 0.99335 0.23237 0.72928 1.00000
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