Mn3Re2
Alexandria ALEXAlex-ID: agm005507445 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_55_spg43
Mn7Re6 Mn2Re
2023-03-20 07:43:31.613947
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507445).
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 agm005507445
data_agm005507445
_cell_length_a 7.60348
_cell_length_b 6.61446
_cell_length_c 4.97480
_cell_angle_alpha 80.65455
_cell_angle_beta 59.13510
_cell_angle_gamma 40.21035
_cell_volume 126.21434
_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 0.44066 0.36554 0.44917 1.00000
Mn2 Mn 0.74463 0.44917 0.36554 1.00000
Mn3 Mn 0.88446 0.80934 0.50537 1.00000
Mn4 Mn 0.80083 0.50537 0.80934 1.00000
Mn5 Mn 0.05892 0.94108 0.94108 1.00000
Mn6 Mn 0.30892 0.19108 0.19108 1.00000
Re1 Re 0.54007 0.35370 0.89050 1.00000
Re2 Re 0.21572 0.89050 0.35370 1.00000
Re3 Re 0.89630 0.70993 0.03428 1.00000
Re4 Re 0.35950 0.03428 0.70993 1.00000
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