MnNi2
Alexandria ALEXAlex-ID: agm005470074 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_1922_spg141
MnNi3 Mn3Ni5
2023-03-21 15:27:39.590317
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005470074).
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 agm005470074
data_agm005470074
_cell_length_a 11.09489
_cell_length_b 11.09489
_cell_length_c 11.09489
_cell_angle_alpha 166.60012
_cell_angle_beta 166.60012
_cell_angle_gamma 18.99399
_cell_volume 73.34189
_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
Mn2 Mn 0.75000 0.25000 0.50000 1.00000
Ni1 Ni 0.32803 0.82803 0.50000 1.00000
Ni2 Ni 0.17197 0.67197 0.50000 1.00000
Ni3 Ni 0.57803 0.57803 0.00000 1.00000
Ni4 Ni 0.42197 0.42197 0.00000 1.00000
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