Fe11Co
Alexandria ALEXAlex-ID: agm045081256 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11_66_spg1
Fe4Co Fe
2024-11-15 14:44:42.578652
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045081256).
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 agm045081256
data_agm045081256
_cell_length_a 4.71509
_cell_length_b 4.71185
_cell_length_c 6.34736
_cell_angle_alpha 97.79955
_cell_angle_beta 97.73866
_cell_angle_gamma 95.32552
_cell_volume 137.55197
_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
Fe1 Fe 0.25031 0.58522 0.08315 1.00000
Fe2 Fe 0.74969 0.41478 0.91685 1.00000
Fe3 Fe 0.25085 0.91615 0.41752 1.00000
Fe4 Fe 0.74915 0.08385 0.58248 1.00000
Fe5 Fe 0.50000 0.50000 0.50000 1.00000
Fe6 Fe 0.75068 0.74976 0.24941 1.00000
Fe7 Fe 0.50125 0.83378 0.83368 1.00000
Fe8 Fe 0.99924 0.66781 0.66737 1.00000
Fe9 Fe 0.24932 0.25024 0.75059 1.00000
Fe10 Fe 0.00076 0.33219 0.33263 1.00000
Fe11 Fe 0.49875 0.16622 0.16632 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
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