CrFe11Si4
Alexandria ALEXAlex-ID: agm005291279 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C11_20_spg166
Fe3Si Cr3Si
2023-05-07 11:58:20.834292
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005291279).
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 agm005291279
data_agm005291279
_cell_length_a 13.10786
_cell_length_b 13.10786
_cell_length_c 13.10786
_cell_angle_alpha 17.33793
_cell_angle_beta 17.33793
_cell_angle_gamma 17.33793
_cell_volume 174.53388
_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
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.56300 0.56300 0.56300 1.00000
Fe2 Fe 0.81232 0.81232 0.81232 1.00000
Fe3 Fe 0.06137 0.06137 0.06137 1.00000
Fe4 Fe 0.31314 0.31314 0.31314 1.00000
Fe5 Fe 0.18768 0.18768 0.18768 1.00000
Fe6 Fe 0.43700 0.43700 0.43700 1.00000
Fe7 Fe 0.68686 0.68686 0.68686 1.00000
Fe8 Fe 0.93863 0.93863 0.93863 1.00000
Fe9 Fe 0.24973 0.24973 0.24973 1.00000
Fe10 Fe 0.50000 0.50000 0.50000 1.00000
Fe11 Fe 0.75027 0.75027 0.75027 1.00000
Si1 Si 0.87500 0.87500 0.87500 1.00000
Si2 Si 0.12500 0.12500 0.12500 1.00000
Si3 Si 0.37514 0.37514 0.37514 1.00000
Si4 Si 0.62486 0.62486 0.62486 1.00000
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