Er2Fe3Ge5
Alexandria ALEXAlex-ID: agm044347009 · Space group: P4/mnc (#128)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_23_spg128
Er2Fe3Ge5
2025-02-27 06:26:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044347009).
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 agm044347009
data_agm044347009
_cell_length_a 10.63955
_cell_length_b 10.63955
_cell_length_c 5.61170
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 635.24462
_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
Er1 Er 0.73687 0.56383 0.50000 1.00000
Er2 Er 0.26313 0.43617 0.50000 1.00000
Er3 Er 0.76313 0.06383 0.00000 1.00000
Er4 Er 0.23687 0.93617 0.00000 1.00000
Er5 Er 0.56383 0.26313 0.50000 1.00000
Er6 Er 0.43617 0.73687 0.50000 1.00000
Er7 Er 0.06383 0.23687 0.00000 1.00000
Er8 Er 0.93617 0.76313 0.00000 1.00000
Fe1 Fe 0.85951 0.87737 0.50000 1.00000
Fe2 Fe 0.14049 0.12263 0.50000 1.00000
Fe3 Fe 0.64049 0.37737 0.00000 1.00000
Fe4 Fe 0.35951 0.62263 0.00000 1.00000
Fe5 Fe 0.87737 0.14049 0.50000 1.00000
Fe6 Fe 0.12263 0.85951 0.50000 1.00000
Fe7 Fe 0.37737 0.35951 0.00000 1.00000
Fe8 Fe 0.62263 0.64049 0.00000 1.00000
Fe9 Fe 0.00000 0.50000 0.25000 1.00000
Fe10 Fe 0.50000 0.00000 0.75000 1.00000
Fe11 Fe 0.50000 0.00000 0.25000 1.00000
Fe12 Fe 0.00000 0.50000 0.75000 1.00000
Ge1 Ge 0.18334 0.68334 0.25000 1.00000
Ge2 Ge 0.81666 0.31666 0.25000 1.00000
Ge3 Ge 0.31666 0.18334 0.75000 1.00000
Ge4 Ge 0.68334 0.81666 0.75000 1.00000
Ge5 Ge 0.68334 0.81666 0.25000 1.00000
Ge6 Ge 0.31666 0.18334 0.25000 1.00000
Ge7 Ge 0.18334 0.68334 0.75000 1.00000
Ge8 Ge 0.81666 0.31666 0.75000 1.00000
Ge9 Ge 0.50000 0.50000 0.24704 1.00000
Ge10 Ge 0.00000 0.00000 0.74704 1.00000
Ge11 Ge 0.50000 0.50000 0.75296 1.00000
Ge12 Ge 0.00000 0.00000 0.25296 1.00000
Ge13 Ge 0.97059 0.68127 0.50000 1.00000
Ge14 Ge 0.02941 0.31873 0.50000 1.00000
Ge15 Ge 0.52941 0.18127 0.00000 1.00000
Ge16 Ge 0.47059 0.81873 0.00000 1.00000
Ge17 Ge 0.68127 0.02941 0.50000 1.00000
Ge18 Ge 0.31873 0.97059 0.50000 1.00000
Ge19 Ge 0.18127 0.47059 0.00000 1.00000
Ge20 Ge 0.81873 0.52941 0.00000 1.00000
