Mn4Zn4Co3
Alexandria ALEXAlex-ID: agm009504763 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_23_spg71
Mn3Co2 Zn11Co2 Mn3Co
2024-06-04 17:42:18.745238
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009504763).
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 agm009504763
data_agm009504763
_cell_length_a 9.09255
_cell_length_b 9.09255
_cell_length_c 9.09255
_cell_angle_alpha 163.67053
_cell_angle_beta 135.58611
_cell_angle_gamma 47.62626
_cell_volume 147.65933
_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 0.82789 0.13934 0.68855 1.00000
Mn2 Mn 0.54921 0.86066 0.68855 1.00000
Mn3 Mn 0.17211 0.86066 0.31145 1.00000
Mn4 Mn 0.45079 0.13934 0.31145 1.00000
Zn1 Zn 0.24129 0.24129 0.00000 1.00000
Zn2 Zn 0.75871 0.75871 0.00000 1.00000
Zn3 Zn 0.18145 0.00000 0.18145 1.00000
Zn4 Zn 0.81855 0.00000 0.81855 1.00000
Co1 Co 0.88821 0.38821 0.50000 1.00000
Co2 Co 0.11179 0.61179 0.50000 1.00000
Co3 Co 0.50000 0.50000 0.00000 1.00000
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