Mn2Ni2Ru3
Alexandria ALEXAlex-ID: agm009593391 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_0_spg12
Mn3Ni5 Ru MnRu3
2024-06-04 14:39:58.189066
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009593391).
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 agm009593391
data_agm009593391
_cell_length_a 2.66526
_cell_length_b 5.83065
_cell_length_c 6.87798
_cell_angle_alpha 120.69096
_cell_angle_beta 78.80701
_cell_angle_gamma 103.22897
_cell_volume 89.09268
_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 0.56711 0.42153 0.28666 1.00000
Mn2 Mn 0.43289 0.57847 0.71334 1.00000
Ni1 Ni 0.85662 0.14954 0.43405 1.00000
Ni2 Ni 0.14338 0.85046 0.56595 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.71693 0.28848 0.85446 1.00000
Ru3 Ru 0.28307 0.71152 0.14554 1.00000
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