Lu3FeGe3
Alexandria ALEXAlex-ID: agm078113809 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_34_spg12
Lu3FeGe3
2025-01-09 08:59:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078113809).
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 agm078113809
data_agm078113809
_cell_length_a 5.61938
_cell_length_b 5.61938
_cell_length_c 13.52514
_cell_angle_alpha 70.87322
_cell_angle_beta 109.12678
_cell_angle_gamma 136.78658
_cell_volume 273.67368
_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 0.47397 0.52603 0.11854 1.00000
Lu2 Lu 0.52603 0.47397 0.88146 1.00000
Lu3 Lu 0.40339 0.59661 0.58152 1.00000
Lu4 Lu 0.59661 0.40339 0.41848 1.00000
Lu5 Lu 0.74612 0.25388 0.73058 1.00000
Lu6 Lu 0.25388 0.74612 0.26942 1.00000
Fe1 Fe 0.75450 0.24550 0.08621 1.00000
Fe2 Fe 0.24550 0.75450 0.91379 1.00000
Ge1 Ge 0.95272 0.04728 0.25656 1.00000
Ge2 Ge 0.04728 0.95272 0.74344 1.00000
Ge3 Ge 0.87213 0.12787 0.42509 1.00000
Ge4 Ge 0.12787 0.87213 0.57491 1.00000
Ge5 Ge 0.85871 0.14129 0.95382 1.00000
Ge6 Ge 0.14129 0.85871 0.04618 1.00000
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