Sm12Dy6Y
Alexandria ALEXAlex-ID: agm003683992 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_24_spg148
Sm4DyY Sm3Dy5 Sm
2022-04-13 09:01:16.785103
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003683992).
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 agm003683992
data_agm003683992
_cell_length_a 8.62474
_cell_length_b 8.62474
_cell_length_c 8.62474
_cell_angle_alpha 88.88568
_cell_angle_beta 88.88568
_cell_angle_gamma 88.88568
_cell_volume 641.20220
_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 0.77859 0.53834 0.43343 1.00000
Sm2 Sm 0.43343 0.77859 0.53834 1.00000
Sm3 Sm 0.53834 0.43343 0.77859 1.00000
Sm4 Sm 0.22141 0.46166 0.56657 1.00000
Sm5 Sm 0.56657 0.22141 0.46166 1.00000
Sm6 Sm 0.46166 0.56657 0.22141 1.00000
Sm7 Sm 0.01587 0.19692 0.36089 1.00000
Sm8 Sm 0.80308 0.63911 0.98413 1.00000
Sm9 Sm 0.63911 0.98413 0.80308 1.00000
Sm10 Sm 0.98413 0.80308 0.63911 1.00000
Sm11 Sm 0.19692 0.36089 0.01587 1.00000
Sm12 Sm 0.36089 0.01587 0.19692 1.00000
Dy1 Dy 0.73953 0.90288 0.30119 1.00000
Dy2 Dy 0.69881 0.26047 0.09712 1.00000
Dy3 Dy 0.09712 0.69881 0.26047 1.00000
Dy4 Dy 0.26047 0.09712 0.69881 1.00000
Dy5 Dy 0.30119 0.73953 0.90288 1.00000
Dy6 Dy 0.90288 0.30119 0.73953 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
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