Pr6Dy12Tm
Alexandria ALEXAlex-ID: agm006115801 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_163_spg166
PrDy5 DyTm5 Pr
2023-08-26 08:39:58.655754
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115801).
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 agm006115801
data_agm006115801
_cell_length_a 10.01305
_cell_length_b 10.01305
_cell_length_c 10.01305
_cell_angle_alpha 112.81481
_cell_angle_beta 112.81481
_cell_angle_gamma 112.81482
_cell_volume 660.10358
_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 0.67780 0.36948 0.67780 1.00000
Pr2 Pr 0.67780 0.67780 0.36948 1.00000
Pr3 Pr 0.36948 0.67780 0.67780 1.00000
Pr4 Pr 0.32220 0.32220 0.63052 1.00000
Pr5 Pr 0.32220 0.63052 0.32220 1.00000
Pr6 Pr 0.63052 0.32220 0.32220 1.00000
Dy1 Dy 0.88337 0.11663 0.50000 1.00000
Dy2 Dy 0.22924 0.90714 0.22924 1.00000
Dy3 Dy 0.22924 0.22924 0.90714 1.00000
Dy4 Dy 0.09286 0.77076 0.77076 1.00000
Dy5 Dy 0.77076 0.77076 0.09286 1.00000
Dy6 Dy 0.77076 0.09286 0.77076 1.00000
Dy7 Dy 0.50000 0.88337 0.11663 1.00000
Dy8 Dy 0.11663 0.50000 0.88337 1.00000
Dy9 Dy 0.11663 0.88337 0.50000 1.00000
Dy10 Dy 0.50000 0.11663 0.88337 1.00000
Dy11 Dy 0.88337 0.50000 0.11663 1.00000
Dy12 Dy 0.90714 0.22924 0.22924 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
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