Y2HoEr6
Alexandria ALEXAlex-ID: agm005602879 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1456_spg71
Y5Er HoEr5 YEr5
2023-07-10 16:07:01.265396
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602879).
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 agm005602879
data_agm005602879
_cell_length_a 3.55957
_cell_length_b 8.74566
_cell_length_c 13.32066
_cell_angle_alpha 135.29499
_cell_angle_beta 90.00646
_cell_angle_gamma 78.24309
_cell_volume 279.21615
_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 0.62987 0.74111 0.07437 1.00000
Y2 Y 0.37013 0.25889 0.92563 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.70259 0.59517 0.26128 1.00000
Er2 Er 0.29741 0.40483 0.73872 1.00000
Er3 Er 0.66698 0.66542 0.66592 1.00000
Er4 Er 0.96369 0.07422 0.40842 1.00000
Er5 Er 0.03631 0.92578 0.59158 1.00000
Er6 Er 0.33302 0.33458 0.33408 1.00000
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