Ni2H7I
Alexandria ALEXAlex-ID: agm006200701 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_551_spg2
H9I Ni(H3I)2 NiH
2023-11-24 06:21:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200701).
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 agm006200701
data_agm006200701
_cell_length_a 3.14570
_cell_length_b 9.51286
_cell_length_c 4.99424
_cell_angle_alpha 142.26520
_cell_angle_beta 90.86863
_cell_angle_gamma 98.84514
_cell_volume 88.03544
_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
I1 I 0.99749 0.35453 0.00673 1.00000
H1 H 0.25187 0.86430 0.10933 1.00000
H2 H 0.74210 0.83999 0.85654 1.00000
H3 H 0.63873 0.57268 0.92327 1.00000
H4 H 0.48502 0.14989 0.24621 1.00000
H5 H 0.26220 0.86140 0.44170 1.00000
H6 H 0.28529 0.14288 0.12922 1.00000
H7 H 0.57190 0.55946 0.74618 1.00000
Ni1 Ni 0.24452 0.84992 0.75634 1.00000
Ni2 Ni 0.75327 0.86235 0.25264 1.00000
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