Sm2Dy12Ho5
Alexandria ALEXAlex-ID: agm005663052 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_342_spg2
Dy5Ho Dy2Ho7 SmDy5
2023-06-27 15:26:40.126969
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663052).
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 agm005663052
data_agm005663052
_cell_length_a 6.14117
_cell_length_b 13.72595
_cell_length_c 15.45958
_cell_angle_alpha 143.10269
_cell_angle_beta 70.64107
_cell_angle_gamma 126.62661
_cell_volume 598.53146
_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 0.63021 0.89397 0.97378 1.00000
Sm2 Sm 0.36979 0.10603 0.02621 1.00000
Dy1 Dy 0.05340 0.15865 0.29084 1.00000
Dy2 Dy 0.89254 0.68223 0.92074 1.00000
Dy3 Dy 0.15668 0.47226 0.86814 1.00000
Dy4 Dy 0.26330 0.79018 0.44745 1.00000
Dy5 Dy 0.52700 0.58029 0.39529 1.00000
Dy6 Dy 0.68453 0.05207 0.76175 1.00000
Dy7 Dy 0.31547 0.94793 0.23825 1.00000
Dy8 Dy 0.73670 0.20982 0.55255 1.00000
Dy9 Dy 0.47300 0.41971 0.60471 1.00000
Dy10 Dy 0.10746 0.31777 0.07926 1.00000
Dy11 Dy 0.84332 0.52774 0.13186 1.00000
Dy12 Dy 0.94660 0.84135 0.70916 1.00000
Ho1 Ho 0.20896 0.62986 0.65641 1.00000
Ho2 Ho 0.57902 0.73737 0.18473 1.00000
Ho3 Ho 0.00000 0.00000 0.50000 1.00000
Ho4 Ho 0.42098 0.26263 0.81527 1.00000
Ho5 Ho 0.79104 0.37014 0.34359 1.00000
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