MnNiH6
Alexandria ALEXAlex-ID: agm007362090 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_276_spg2
NiH4 MnH2
2025-06-26 09:19:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007362090).
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 agm007362090
data_agm007362090
_cell_length_a 2.49204
_cell_length_b 4.89919
_cell_length_c 4.74632
_cell_angle_alpha 115.46593
_cell_angle_beta 90.01242
_cell_angle_gamma 101.43734
_cell_volume 51.03894
_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 0.88960 0.71363 0.33602 1.00000
H2 H 0.57128 0.18314 0.91519 1.00000
H3 H 0.08466 0.21631 0.40467 1.00000
H4 H 0.42872 0.81686 0.08481 1.00000
H5 H 0.11040 0.28637 0.66398 1.00000
H6 H 0.91534 0.78369 0.59533 1.00000
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