Er6Mg5Al
Alexandria ALEXAlex-ID: agm006113914 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Er2MgAl ErMg
2023-08-31 10:01:48.325114
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113914).
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 agm006113914
data_agm006113914
_cell_length_a 5.26001
_cell_length_b 7.47789
_cell_length_c 8.32872
_cell_angle_alpha 89.99996
_cell_angle_beta 71.59239
_cell_angle_gamma 89.99988
_cell_volume 310.83796
_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
Mg1 Mg 0.66834 0.50000 0.66331 1.00000
Mg2 Mg 0.32944 0.00000 0.34111 1.00000
Mg3 Mg 0.00000 0.50000 0.00000 1.00000
Mg4 Mg 0.67056 0.00000 0.65889 1.00000
Mg5 Mg 0.33166 0.50000 0.33669 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.83779 0.75591 0.32443 1.00000
Er2 Er 0.83778 0.24409 0.32443 1.00000
Er3 Er 0.49999 0.24051 0.00000 1.00000
Er4 Er 0.50001 0.75949 0.00000 1.00000
Er5 Er 0.16222 0.75591 0.67557 1.00000
Er6 Er 0.16221 0.24409 0.67557 1.00000
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