NbIn(NiH4)2
Alexandria ALEXAlex-ID: agm007408709 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_345_spg12
InH10 NiH4 NbH2 InNi
2025-05-27 08:41:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007408709).
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 agm007408709
data_agm007408709
_cell_length_a 4.10844
_cell_length_b 4.86654
_cell_length_c 6.60804
_cell_angle_alpha 68.05652
_cell_angle_beta 114.91905
_cell_angle_gamma 115.24762
_cell_volume 105.30056
_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
Nb1 Nb 0.87261 0.51437 0.47295 1.00000
In1 In 0.95378 0.87992 0.97427 1.00000
Ni1 Ni 0.29943 0.04226 0.66485 1.00000
Ni2 Ni 0.55154 0.96999 0.34693 1.00000
H1 H 0.38358 0.16596 0.40909 1.00000
H2 H 0.72590 0.28774 0.75048 1.00000
H3 H 0.85654 0.84054 0.58563 1.00000
H4 H 0.30732 0.68912 0.73516 1.00000
H5 H 0.73420 0.33282 0.21748 1.00000
H6 H 0.23092 0.31715 0.71522 1.00000
H7 H 0.73904 0.86383 0.22957 1.00000
H8 H 0.34514 0.59632 0.39836 1.00000
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