Er3AlZn2
Alexandria ALEXAlex-ID: agm040512002 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2535_spg2
Er5AlZn4 Er2AlZn
2024-12-10 11:58:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040512002).
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 agm040512002
data_agm040512002
_cell_length_a 7.92424
_cell_length_b 7.92424
_cell_length_c 8.71161
_cell_angle_alpha 56.92448
_cell_angle_beta 123.07552
_cell_angle_gamma 143.12393
_cell_volume 268.50934
_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 0.08028 0.91972 0.24637 1.00000
Er2 Er 0.25049 0.74951 0.75624 1.00000
Er3 Er 0.91972 0.08028 0.75363 1.00000
Er4 Er 0.41690 0.58310 0.25037 1.00000
Er5 Er 0.74951 0.25049 0.24376 1.00000
Er6 Er 0.58310 0.41690 0.74963 1.00000
Al1 Al 0.66793 0.33207 0.49985 1.00000
Al2 Al 0.33207 0.66793 0.50015 1.00000
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
Zn2 Zn 0.83420 0.16580 0.00028 1.00000
Zn3 Zn 0.16580 0.83420 0.99972 1.00000
Zn4 Zn 0.50000 0.50000 0.00000 1.00000
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