Er2AlFe3
Alexandria ALEXAlex-ID: agm005687919 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_9_spg194
Er8Al3Fe ErAlFe2 ErFe2
2023-08-07 03:46:30.512107
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687919).
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 agm005687919
data_agm005687919
_cell_length_a 5.19822
_cell_length_b 5.19822
_cell_length_c 8.36511
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 195.75460
_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 0.66667 0.33333 0.43400 1.00000
Er2 Er 0.33333 0.66667 0.56600 1.00000
Er3 Er 0.33333 0.66667 0.93400 1.00000
Er4 Er 0.66667 0.33333 0.06600 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Al2 Al 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.17343 0.34686 0.25000 1.00000
Fe2 Fe 0.34687 0.17343 0.75000 1.00000
Fe3 Fe 0.82657 0.65314 0.75000 1.00000
Fe4 Fe 0.17343 0.82657 0.25000 1.00000
Fe5 Fe 0.82657 0.17343 0.75000 1.00000
Fe6 Fe 0.65313 0.82657 0.25000 1.00000
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