MnNi(H4Os)2
Alexandria ALEXAlex-ID: agm007186830 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_7_spg1
NiH4 MnH2 Os H2
2024-03-16 04:15:01.865938
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007186830).
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 agm007186830
data_agm007186830
_cell_length_a 5.10259
_cell_length_b 4.68440
_cell_length_c 4.72342
_cell_angle_alpha 58.35059
_cell_angle_beta 87.09595
_cell_angle_gamma 79.30494
_cell_volume 94.29347
_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
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
H1 H 0.40311 0.51036 0.82069 1.00000
H2 H 0.27097 0.83214 0.29757 1.00000
H3 H 0.59689 0.48964 0.17931 1.00000
H4 H 0.13766 0.61698 0.04074 1.00000
H5 H 0.86234 0.38302 0.95926 1.00000
H6 H 0.24004 0.31306 0.62043 1.00000
H7 H 0.75996 0.68694 0.37957 1.00000
H8 H 0.72903 0.16786 0.70243 1.00000
Os1 Os 0.10043 0.65389 0.65273 1.00000
Os2 Os 0.89957 0.34611 0.34727 1.00000
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