Ni2H6Os
Alexandria ALEXAlex-ID: agm006558012 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2619_spg65
Ni3H4 NiH4 Os
2024-02-28 14:51:05.220769
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006558012).
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 agm006558012
data_agm006558012
_cell_length_a 5.64521
_cell_length_b 3.74726
_cell_length_c 5.69358
_cell_angle_alpha 89.00044
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 120.42419
_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
Ni1 Ni 0.74991 0.00009 0.25011 1.00000
Ni2 Ni 0.24991 0.99991 0.24989 1.00000
Ni3 Ni 0.75009 0.00009 0.75011 1.00000
Ni4 Ni 0.25009 0.99991 0.74989 1.00000
H1 H 0.00013 0.26255 0.77108 1.00000
H2 H 0.26973 0.73915 0.49880 1.00000
H3 H 0.23039 0.26059 0.00090 1.00000
H4 H 0.73039 0.73941 0.49910 1.00000
H5 H 0.76973 0.26085 0.00120 1.00000
H6 H 0.50013 0.73745 0.72892 1.00000
H7 H 0.99987 0.73745 0.22892 1.00000
H8 H 0.73027 0.26085 0.50120 1.00000
H9 H 0.76961 0.73941 0.99910 1.00000
H10 H 0.26961 0.26059 0.50090 1.00000
H11 H 0.23027 0.73915 0.99880 1.00000
H12 H 0.49987 0.26255 0.27108 1.00000
Os1 Os 0.50000 0.50000 0.00000 1.00000
Os2 Os 0.00000 0.50000 0.50000 1.00000
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