Mn5Cr3
Alexandria ALEXAlex-ID: agm010189645 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_14_spg119
MnCr15 Mn
2024-03-04 10:50:01.866613
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010189645).
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 agm010189645
data_agm010189645
_cell_length_a 8.32389
_cell_length_b 8.32389
_cell_length_c 8.32389
_cell_angle_alpha 160.48090
_cell_angle_beta 152.26586
_cell_angle_gamma 34.14225
_cell_volume 89.59600
_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 0.99647 0.99647 0.00000 1.00000
Mn2 Mn 0.12418 0.62418 0.50000 1.00000
Mn3 Mn 0.24953 0.24953 0.00000 1.00000
Mn4 Mn 0.37811 0.87811 0.50000 1.00000
Mn5 Mn 0.62575 0.12575 0.50000 1.00000
Cr1 Cr 0.50366 0.50366 0.00000 1.00000
Cr2 Cr 0.74983 0.74983 0.00000 1.00000
Cr3 Cr 0.87247 0.37247 0.50000 1.00000
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