YHoEr3
Alexandria ALEXAlex-ID: agm017242139 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_376_spg1
Ho7Er2 Y5Er HoEr5
2025-02-03 10:05:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017242139).
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 agm017242139
data_agm017242139
_cell_length_a 6.23041
_cell_length_b 6.64933
_cell_length_c 9.52643
_cell_angle_alpha 95.89141
_cell_angle_beta 109.09040
_cell_angle_gamma 117.88044
_cell_volume 313.85492
_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 0.31771 0.74960 0.05038 1.00000
Y2 Y 0.68229 0.25040 0.94962 1.00000
Ho1 Ho 0.91732 0.75203 0.25167 1.00000
Ho2 Ho 0.08268 0.24797 0.74833 1.00000
Er1 Er 0.88516 0.25160 0.35130 1.00000
Er2 Er 0.71629 0.75015 0.84846 1.00000
Er3 Er 0.51601 0.74995 0.45019 1.00000
Er4 Er 0.48399 0.25005 0.54981 1.00000
Er5 Er 0.11484 0.74840 0.64870 1.00000
Er6 Er 0.28371 0.24985 0.15154 1.00000
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