MnNi2H6Os
Alexandria ALEXAlex-ID: agm007448911 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_229_spg12
NiH4 MnH2 MnNi4H5 Os
2024-06-24 12:08:09.727530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007448911).
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 agm007448911
data_agm007448911
_cell_length_a 4.30115
_cell_length_b 4.74682
_cell_length_c 4.89547
_cell_angle_alpha 111.42737
_cell_angle_beta 90.84313
_cell_angle_gamma 117.60477
_cell_volume 80.37303
_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 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.33391 0.16394 0.57357 1.00000
Ni2 Ni 0.66609 0.83606 0.42643 1.00000
H1 H 0.75762 0.49627 0.78458 1.00000
H2 H 0.15375 0.38713 0.75916 1.00000
H3 H 0.24238 0.50373 0.21542 1.00000
H4 H 0.38449 0.90917 0.73583 1.00000
H5 H 0.84625 0.61287 0.24084 1.00000
H6 H 0.61551 0.09083 0.26417 1.00000
Os1 Os 0.00000 0.50000 0.50000 1.00000
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