Fe3Ge4
Alexandria ALEXAlex-ID: agm003289652 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_228_spg166
FeGe Ge
2022-01-17 10:34:43.003710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003289652).
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 agm003289652
data_agm003289652
_cell_length_a 6.04439
_cell_length_b 6.04439
_cell_length_c 6.04439
_cell_angle_alpha 84.63140
_cell_angle_beta 84.63142
_cell_angle_gamma 84.63141
_cell_volume 218.09384
_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 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.50000 0.50000 1.00000
Fe3 Fe 0.50000 0.50000 0.00000 1.00000
Fe4 Fe 0.50000 0.50000 0.50000 1.00000
Fe5 Fe 0.90380 0.90379 0.90380 1.00000
Fe6 Fe 0.09620 0.09621 0.09620 1.00000
Ge1 Ge 0.74941 0.25184 0.25184 1.00000
Ge2 Ge 0.74816 0.74816 0.25059 1.00000
Ge3 Ge 0.70821 0.70821 0.70821 1.00000
Ge4 Ge 0.25184 0.25184 0.74941 1.00000
Ge5 Ge 0.74816 0.25058 0.74816 1.00000
Ge6 Ge 0.29179 0.29179 0.29179 1.00000
Ge7 Ge 0.25059 0.74816 0.74816 1.00000
Ge8 Ge 0.25184 0.74942 0.25184 1.00000
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