Y2ErMg4
Alexandria ALEXAlex-ID: agm003465327 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_163_spg139
Y3ErMg4 YErMg2 YMg3
2022-02-18 00:00:55.695077
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003465327).
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 agm003465327
data_agm003465327
_cell_length_a 5.52511
_cell_length_b 5.52511
_cell_length_c 8.93381
_cell_angle_alpha 108.01254
_cell_angle_beta 108.01254
_cell_angle_gamma 90.00000
_cell_volume 245.26110
_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
Y1 Y 0.60434 0.60434 0.20868 1.00000
Y2 Y 0.39566 0.39566 0.79132 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.81182 0.81182 0.62363 1.00000
Mg2 Mg 0.18818 0.18818 0.37637 1.00000
Mg3 Mg 0.00000 0.50000 0.00000 1.00000
Mg4 Mg 0.50000 0.00000 0.00000 1.00000
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