Mn7(CuIr)2
Alexandria ALEXAlex-ID: agm011817758 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_237_spg12
Mn3Ir Mn Cu
2024-07-10 20:19:33.729178
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011817758).
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 agm011817758
data_agm011817758
_cell_length_a 5.83454
_cell_length_b 4.52318
_cell_length_c 5.90568
_cell_angle_alpha 75.34483
_cell_angle_beta 72.76594
_cell_angle_gamma 97.08408
_cell_volume 140.65945
_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 0.17467 0.89648 0.37453 1.00000
Mn2 Mn 0.53681 0.72519 0.09909 1.00000
Mn3 Mn 0.82533 0.10352 0.62547 1.00000
Mn4 Mn 0.46319 0.27481 0.90091 1.00000
Mn5 Mn 0.25992 0.35752 0.54789 1.00000
Mn6 Mn 0.00000 0.00000 0.00000 1.00000
Mn7 Mn 0.74008 0.64248 0.45211 1.00000
Cu1 Cu 0.90721 0.54865 0.82035 1.00000
Cu2 Cu 0.09279 0.45135 0.17965 1.00000
Ir1 Ir 0.62880 0.18732 0.26627 1.00000
Ir2 Ir 0.37120 0.81268 0.73373 1.00000
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