Mn4Ni
Alexandria ALEXAlex-ID: agm005411071 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_10_spg139
Mn3Ni5 Mn
2023-03-17 18:00:11.758875
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005411071).
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 agm005411071
data_agm005411071
_cell_length_a 5.39212
_cell_length_b 5.39212
_cell_length_c 5.39212
_cell_angle_alpha 141.04118
_cell_angle_beta 141.04118
_cell_angle_gamma 56.27577
_cell_volume 61.49279
_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 0.25000 0.75000 0.50000 1.00000
Mn2 Mn 0.61064 0.61064 0.00000 1.00000
Mn3 Mn 0.38936 0.38936 0.00000 1.00000
Mn4 Mn 0.75000 0.25000 0.50000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
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