Mn(Ni2H)4
Alexandria ALEXAlex-ID: agm098068752 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_353_spg12
Mn4Ni12H NiH Ni
2025-06-15 15:43:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098068752).
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 agm098068752
data_agm098068752
_cell_length_a 2.59968
_cell_length_b 7.00910
_cell_length_c 6.77066
_cell_angle_alpha 65.07043
_cell_angle_beta 101.11568
_cell_angle_gamma 90.00699
_cell_volume 109.32006
_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 0.33437 0.03953 0.05360 1.00000
Ni1 Ni 0.81286 0.36216 0.01119 1.00000
Ni2 Ni 0.96052 0.71120 0.30361 1.00000
Ni3 Ni 0.62473 0.70170 0.63120 1.00000
Ni4 Ni 0.66443 0.04019 0.71472 1.00000
Ni5 Ni 0.99673 0.03571 0.37804 1.00000
Ni6 Ni 0.47543 0.35409 0.33650 1.00000
Ni7 Ni 0.14819 0.36083 0.68237 1.00000
Ni8 Ni 0.29617 0.69474 0.97519 1.00000
H1 H 0.81170 0.84455 0.00757 1.00000
H2 H 0.21851 0.52374 0.82366 1.00000
H3 H 0.01221 0.45185 0.40964 1.00000
H4 H 0.14415 0.87972 0.67271 1.00000
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