SmY6Er
Alexandria ALEXAlex-ID: agm005752058 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_257_spg12
SmY2 YEr5 Y5Er
2023-07-25 08:17:46.778534
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752058).
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 agm005752058
data_agm005752058
_cell_length_a 6.59091
_cell_length_b 6.65577
_cell_length_c 6.80048
_cell_angle_alpha 90.13530
_cell_angle_beta 61.01432
_cell_angle_gamma 90.27645
_cell_volume 260.95022
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.05185 0.74883 0.52966 1.00000
Y2 Y 0.58151 0.74884 0.47034 1.00000
Y3 Y 0.41849 0.25116 0.52966 1.00000
Y4 Y 0.94815 0.25117 0.47034 1.00000
Y5 Y 0.49061 0.74845 1.00000 1.00000
Y6 Y 0.50939 0.25155 0.00000 1.00000
Er1 Er 0.00000 0.50000 0.00000 1.00000
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