Mn3Fe9Co
Alexandria ALEXAlex-ID: agm006012292 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_359_spg1
Fe4Co Mn Fe
2023-08-10 15:30:47.009596
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006012292).
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 agm006012292
data_agm006012292
_cell_length_a 2.44443
_cell_length_b 9.27072
_cell_length_c 15.28311
_cell_angle_alpha 98.12067
_cell_angle_beta 108.60811
_cell_angle_gamma 63.79490
_cell_volume 294.49899
_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 0.07839 0.64018 0.70723 1.00000
Mn2 Mn 0.57840 0.14016 0.20722 1.00000
Mn3 Mn 0.03898 0.90441 0.74435 1.00000
Mn4 Mn 0.53919 0.40444 0.24435 1.00000
Mn5 Mn 0.00365 0.16922 0.78202 1.00000
Mn6 Mn 0.50405 0.66930 0.28202 1.00000
Fe1 Fe 0.42450 0.21244 0.35974 1.00000
Fe2 Fe 0.92399 0.71229 0.85973 1.00000
Fe3 Fe 0.84745 0.25064 0.93575 1.00000
Fe4 Fe 0.34803 0.75084 0.43577 1.00000
Fe5 Fe 0.16082 0.09590 0.62911 1.00000
Fe6 Fe 0.66058 0.59581 0.12910 1.00000
Fe7 Fe 0.77088 0.78822 0.01382 1.00000
Fe8 Fe 0.27149 0.28838 0.51385 1.00000
Fe9 Fe 0.46164 0.94296 0.32062 1.00000
Fe10 Fe 0.96129 0.44285 0.82061 1.00000
Fe11 Fe 0.19198 0.82817 0.59060 1.00000
Fe12 Fe 0.69166 0.32802 0.09057 1.00000
Fe13 Fe 0.38698 0.48100 0.39813 1.00000
Fe14 Fe 0.88627 0.98083 0.89811 1.00000
Fe15 Fe 0.12146 0.36594 0.66848 1.00000
Fe16 Fe 0.62136 0.86587 0.16847 1.00000
Fe17 Fe 0.73570 0.05885 0.05311 1.00000
Fe18 Fe 0.23620 0.55901 0.55313 1.00000
Co1 Co 0.80961 0.51953 0.97487 1.00000
Co2 Co 0.31010 0.01973 0.47490 1.00000
