Sm12Dy5Er2
Alexandria ALEXAlex-ID: agm005650106 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_32_spg12
Sm3Dy5 Sm4DyEr Sm
2023-06-27 17:25:08.518249
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005650106).
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 agm005650106
data_agm005650106
_cell_length_a 10.44340
_cell_length_b 9.26326
_cell_length_c 7.98022
_cell_angle_alpha 87.61780
_cell_angle_beta 90.00000
_cell_angle_gamma 124.31209
_cell_volume 636.85271
_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 0.86202 0.72404 0.11090 1.00000
Sm2 Sm 0.04078 0.62225 0.79371 1.00000
Sm3 Sm 0.58147 0.62225 0.79371 1.00000
Sm4 Sm 0.16776 0.78822 0.38698 1.00000
Sm5 Sm 0.62046 0.78822 0.38698 1.00000
Sm6 Sm 0.44717 0.89434 0.70961 1.00000
Sm7 Sm 0.55283 0.10566 0.29039 1.00000
Sm8 Sm 0.83224 0.21178 0.61302 1.00000
Sm9 Sm 0.37954 0.21178 0.61302 1.00000
Sm10 Sm 0.95922 0.37775 0.20629 1.00000
Sm11 Sm 0.41853 0.37775 0.20629 1.00000
Sm12 Sm 0.13798 0.27596 0.88910 1.00000
Dy1 Dy 0.24334 0.48669 0.51385 1.00000
Dy2 Dy 0.34595 0.69190 0.08935 1.00000
Dy3 Dy 0.00000 0.00000 0.50000 1.00000
Dy4 Dy 0.65405 0.30810 0.91065 1.00000
Dy5 Dy 0.75666 0.51331 0.48615 1.00000
Er1 Er 0.73788 0.00000 0.00000 1.00000
Er2 Er 0.26212 0.00000 0.00000 1.00000
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