ErAl5Au7
Alexandria ALEXAlex-ID: agm003679943 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_7_spg44
Er2(AlAu3)3 AlAu Al2Au
2022-04-10 05:43:24.723380
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679943).
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 agm003679943
data_agm003679943
_cell_length_a 5.54807
_cell_length_b 7.04332
_cell_length_c 7.04332
_cell_angle_alpha 82.54734
_cell_angle_beta 66.80554
_cell_angle_gamma 66.80554
_cell_volume 232.43151
_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 0.99443 0.00557 0.00557 1.00000
Al1 Al 0.49750 0.00399 0.49068 1.00000
Al2 Al 0.00783 0.00399 0.49068 1.00000
Al3 Al 0.49750 0.49068 0.00399 1.00000
Al4 Al 0.00783 0.49068 0.00399 1.00000
Al5 Al 0.74170 0.75830 0.75830 1.00000
Au1 Au 0.66882 0.33118 0.33118 1.00000
Au2 Au 0.31011 0.68989 0.68989 1.00000
Au3 Au 0.98628 0.34492 0.68252 1.00000
Au4 Au 0.98628 0.68252 0.34492 1.00000
Au5 Au 0.26682 0.23318 0.23318 1.00000
Au6 Au 0.51745 0.79359 0.17152 1.00000
Au7 Au 0.51745 0.17152 0.79359 1.00000
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