Ni2H8OsSe
Alexandria ALEXAlex-ID: agm007262125 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1580_spg2
H3Se NiH4 NiHSe Os
2024-03-26 10:25:01.841581
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007262125).
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 agm007262125
data_agm007262125
_cell_length_a 4.58317
_cell_length_b 4.50078
_cell_length_c 6.44743
_cell_angle_alpha 69.56561
_cell_angle_beta 72.51205
_cell_angle_gamma 59.54329
_cell_volume 106.16667
_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 0.39375 0.40581 0.99792 1.00000
Ni2 Ni 0.74532 0.76936 0.92338 1.00000
H1 H 0.10986 0.82466 0.87816 1.00000
H2 H 0.35775 0.14075 0.88518 1.00000
H3 H 0.79676 0.39089 0.88139 1.00000
H4 H 0.84265 0.42518 0.18227 1.00000
H5 H 0.68091 0.97317 0.12585 1.00000
H6 H 0.27580 0.60744 0.21515 1.00000
H7 H 0.24129 0.01600 0.28152 1.00000
H8 H 0.81734 0.51687 0.51236 1.00000
Os1 Os 0.03240 0.03931 0.10563 1.00000
Se1 Se 0.70619 0.89054 0.51120 1.00000
Get direct link