Er3(Al4Fe5)4
Alexandria ALEXAlex-ID: agm008407345 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B16C20_0_spg8
AlFe4 Er(AlFe)6 ErAlFe4
2024-09-13 11:17:39.111289
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008407345).
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 agm008407345
data_agm008407345
_cell_length_a 6.51480
_cell_length_b 6.51480
_cell_length_c 18.97535
_cell_angle_alpha 73.52341
_cell_angle_beta 73.52341
_cell_angle_gamma 44.62936
_cell_volume 538.53706
_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 0.99607 0.99607 0.00312 1.00000
Er2 Er 0.66744 0.66744 0.66543 1.00000
Er3 Er 0.32972 0.32972 0.33503 1.00000
Al1 Al 0.43556 0.43556 0.78215 1.00000
Al2 Al 0.10354 0.10354 0.44815 1.00000
Al3 Al 0.76861 0.76861 0.11608 1.00000
Al4 Al 0.22980 0.22980 0.88458 1.00000
Al5 Al 0.89857 0.89857 0.54981 1.00000
Al6 Al 0.56379 0.56379 0.21940 1.00000
Al7 Al 0.88887 0.88887 0.88566 1.00000
Al8 Al 0.55931 0.55931 0.55059 1.00000
Al9 Al 0.22261 0.22261 0.21819 1.00000
Al10 Al 0.78072 0.78072 0.77885 1.00000
Al11 Al 0.45200 0.45200 0.44378 1.00000
Al12 Al 0.11822 0.11822 0.11200 1.00000
Al13 Al 0.62954 0.62954 0.93537 1.00000
Al14 Al 0.29609 0.29609 0.60189 1.00000
Al15 Al 0.96282 0.96282 0.26817 1.00000
Al16 Al 0.03895 0.03895 0.73028 1.00000
Fe1 Fe 0.33575 0.82941 0.83348 1.00000
Fe2 Fe 0.00664 0.50145 0.49785 1.00000
Fe3 Fe 0.66614 0.16944 0.16575 1.00000
Fe4 Fe 0.82941 0.33575 0.83348 1.00000
Fe5 Fe 0.50145 0.00664 0.49785 1.00000
Fe6 Fe 0.16944 0.66614 0.16575 1.00000
Fe7 Fe 0.50536 0.99660 1.00000 1.00000
Fe8 Fe 0.16904 0.66818 0.66487 1.00000
Fe9 Fe 0.83863 0.33300 0.33238 1.00000
Fe10 Fe 0.99660 0.50536 1.00000 1.00000
Fe11 Fe 0.66818 0.16904 0.66487 1.00000
Fe12 Fe 0.33300 0.83863 0.33238 1.00000
Fe13 Fe 0.68631 0.68631 0.40714 1.00000
Fe14 Fe 0.34678 0.34678 0.07651 1.00000
Fe15 Fe 0.25011 0.25011 0.74417 1.00000
Fe16 Fe 0.91239 0.91239 0.41064 1.00000
Fe17 Fe 0.57598 0.57598 0.07998 1.00000
Fe18 Fe 0.42237 0.42237 0.92232 1.00000
Fe19 Fe 0.08988 0.08988 0.58512 1.00000
Fe20 Fe 0.75424 0.75424 0.25710 1.00000
