Lu6InFe2
Alexandria ALEXAlex-ID: agm078307934 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
Lu12In2Fe3 Lu12In3Fe2 LuFe2
2025-01-09 09:26:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078307934).
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 agm078307934
data_agm078307934
_cell_length_a 8.22321
_cell_length_b 8.22321
_cell_length_c 8.22321
_cell_angle_alpha 111.30171
_cell_angle_beta 110.39117
_cell_angle_gamma 106.75580
_cell_volume 427.31265
_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
Lu1 Lu 0.94880 0.23186 0.71694 1.00000
Lu2 Lu 0.05120 0.76814 0.28306 1.00000
Lu3 Lu 0.51492 0.23186 0.28306 1.00000
Lu4 Lu 0.48508 0.76814 0.71694 1.00000
Lu5 Lu 0.18703 0.39002 0.20299 1.00000
Lu6 Lu 0.81297 0.60998 0.79701 1.00000
Lu7 Lu 0.18703 0.98404 0.79701 1.00000
Lu8 Lu 0.81297 0.01596 0.20299 1.00000
Lu9 Lu 0.31068 0.29016 0.60084 1.00000
Lu10 Lu 0.68932 0.70984 0.39916 1.00000
Lu11 Lu 0.68932 0.29016 0.97948 1.00000
Lu12 Lu 0.31068 0.70984 0.02052 1.00000
In1 In 0.50000 0.00000 0.50000 1.00000
In2 In 0.00000 0.50000 0.50000 1.00000
Fe1 Fe 0.88330 0.00000 0.88330 1.00000
Fe2 Fe 0.11670 0.00000 0.11670 1.00000
Fe3 Fe 0.38931 0.38931 0.00000 1.00000
Fe4 Fe 0.61069 0.61069 0.00000 1.00000
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