MnZn6Ir
Alexandria ALEXAlex-ID: agm005809619 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_246_spg12
Zn41Ir8 Mn MnZn3
2023-07-24 23:42:49.957515
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809619).
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 agm005809619
data_agm005809619
_cell_length_a 4.45458
_cell_length_b 4.45458
_cell_length_c 7.15709
_cell_angle_alpha 78.61633
_cell_angle_beta 78.61634
_cell_angle_gamma 74.71151
_cell_volume 132.70324
_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 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.45081 0.94676 0.69075 1.00000
Zn2 Zn 0.94676 0.45081 0.69075 1.00000
Zn3 Zn 0.05324 0.54919 0.30925 1.00000
Zn4 Zn 0.54919 0.05324 0.30925 1.00000
Zn5 Zn 0.61402 0.61402 0.10512 1.00000
Zn6 Zn 0.38598 0.38598 0.89488 1.00000
Ir1 Ir 0.50000 0.50000 0.50000 1.00000
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