MnFe(SiRu2)2
Alexandria ALEXAlex-ID: agm037118564 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
MnFe4(SiRu2)5 MnSiRu2
2024-11-08 23:40:30.898947
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm037118564).
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 agm037118564
data_agm037118564
_cell_length_a 7.24360
_cell_length_b 7.24360
_cell_length_c 7.24360
_cell_angle_alpha 33.57300
_cell_angle_beta 33.57300
_cell_angle_gamma 33.57300
_cell_volume 103.52981
_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
Fe1 Fe 0.50000 0.50000 0.50000 1.00000
Si1 Si 0.75010 0.75010 0.75010 1.00000
Si2 Si 0.24990 0.24990 0.24990 1.00000
Ru1 Ru 0.37426 0.37426 0.37426 1.00000
Ru2 Ru 0.87541 0.87541 0.87541 1.00000
Ru3 Ru 0.12459 0.12459 0.12459 1.00000
Ru4 Ru 0.62574 0.62574 0.62574 1.00000
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