Mn3Cu2
Alexandria ALEXAlex-ID: agm005505855 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_55_spg43
Cu Mn
2023-03-20 07:35:02.841624
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505855).
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 agm005505855
data_agm005505855
_cell_length_a 7.76337
_cell_length_b 6.78686
_cell_length_c 5.03700
_cell_angle_alpha 80.60316
_cell_angle_beta 59.59681
_cell_angle_gamma 39.80003
_cell_volume 133.73565
_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 0.47543 0.72773 0.45631 1.00000
Mn2 Mn 0.34053 0.45631 0.72773 1.00000
Mn3 Mn 0.52227 0.77457 0.90947 1.00000
Mn4 Mn 0.79369 0.90947 0.77457 1.00000
Mn5 Mn 0.91659 0.08341 0.08341 1.00000
Mn6 Mn 0.16659 0.33341 0.33341 1.00000
Cu1 Cu 0.91214 0.18459 0.54795 1.00000
Cu2 Cu 0.35532 0.54795 0.18459 1.00000
Cu3 Cu 0.06541 0.33786 0.89468 1.00000
Cu4 Cu 0.70205 0.89468 0.33786 1.00000
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