Pr6SmDy8
Alexandria ALEXAlex-ID: agm066763196 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_83_spg148
Pr3SmDy4 Pr PrDy5
2025-04-01 18:23:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066763196).
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
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# CIF generated by HEAS from Alexandria entry agm066763196
data_agm066763196
_cell_length_a 14.98880
_cell_length_b 14.98880
_cell_length_c 14.98880
_cell_angle_alpha 24.30478
_cell_angle_beta 24.30478
_cell_angle_gamma 24.30478
_cell_volume 501.44364
_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
Pr1 Pr 0.26683 0.93261 0.59846 1.00000
Pr2 Pr 0.40154 0.73317 0.06739 1.00000
Pr3 Pr 0.06739 0.40154 0.73317 1.00000
Pr4 Pr 0.93261 0.59846 0.26683 1.00000
Pr5 Pr 0.59846 0.26683 0.93261 1.00000
Pr6 Pr 0.73317 0.06739 0.40154 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.13440 0.80122 0.46763 1.00000
Dy2 Dy 0.53237 0.86560 0.19878 1.00000
Dy3 Dy 0.19878 0.53237 0.86560 1.00000
Dy4 Dy 0.33334 0.33334 0.33334 1.00000
Dy5 Dy 0.66666 0.66666 0.66666 1.00000
Dy6 Dy 0.80122 0.46763 0.13440 1.00000
Dy7 Dy 0.46763 0.13440 0.80122 1.00000
Dy8 Dy 0.86560 0.19878 0.53237 1.00000
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