ErHfMg
Alexandria ALEXAlex-ID: agm005654634 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2426_spg160
Hf ErMg
2023-06-19 10:35:48.668763
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654634).
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 agm005654634
data_agm005654634
_cell_length_a 3.29157
_cell_length_b 3.29406
_cell_length_c 16.91968
_cell_angle_alpha 73.05060
_cell_angle_beta 101.26407
_cell_angle_gamma 120.12719
_cell_volume 151.51277
_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 0.91844 0.81896 0.75887 1.00000
Er2 Er 0.08156 0.18104 0.24113 1.00000
Hf1 Hf 0.69313 0.73068 0.07774 1.00000
Hf2 Hf 0.30687 0.26932 0.92226 1.00000
Mg1 Mg 0.81144 0.27807 0.41924 1.00000
Mg2 Mg 0.18856 0.72193 0.58076 1.00000
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