Er3(AlAu)4
Alexandria ALEXAlex-ID: agm009536738 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_0_spg71
Er3(AlAu)4
2024-03-22 05:28:57.696175
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009536738).
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 agm009536738
data_agm009536738
_cell_length_a 14.25564
_cell_length_b 14.25564
_cell_length_c 14.25564
_cell_angle_alpha 165.31404
_cell_angle_beta 162.26673
_cell_angle_gamma 23.10099
_cell_volume 223.66402
_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 0.14404 0.64404 0.50000 1.00000
Er2 Er 0.85596 0.35596 0.50000 1.00000
Er3 Er 0.50000 0.50000 0.00000 1.00000
Al1 Al 0.24326 0.24326 0.00000 1.00000
Al2 Al 0.40431 0.90431 0.50000 1.00000
Al3 Al 0.59569 0.09569 0.50000 1.00000
Al4 Al 0.75674 0.75674 0.00000 1.00000
Au1 Au 0.68839 0.18839 0.50000 1.00000
Au2 Au 0.05022 0.05022 0.00000 1.00000
Au3 Au 0.94978 0.94978 0.00000 1.00000
Au4 Au 0.31161 0.81161 0.50000 1.00000
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