Mn2Cr2Ru3
Alexandria ALEXAlex-ID: agm010010956 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_23_spg12
MnCr15 Mn MnRu3
2024-03-25 00:03:21.067339
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010010956).
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 agm010010956
data_agm010010956
_cell_length_a 4.60210
_cell_length_b 4.60210
_cell_length_c 5.81679
_cell_angle_alpha 82.74610
_cell_angle_beta 82.74610
_cell_angle_gamma 47.54368
_cell_volume 90.02350
_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 0.57038 0.57038 0.28748 1.00000
Mn2 Mn 0.42962 0.42962 0.71252 1.00000
Cr1 Cr 0.85956 0.85956 0.42752 1.00000
Cr2 Cr 0.14044 0.14044 0.57248 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.71742 0.71742 0.84031 1.00000
Ru3 Ru 0.28258 0.28258 0.15969 1.00000
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