Pr12NdDy6
Alexandria ALEXAlex-ID: agm006115465 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_40_spg148
Pr3NdDy4 Pr PrDy5
2023-08-26 07:33:58.923541
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115465).
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 agm006115465
data_agm006115465
_cell_length_a 8.93051
_cell_length_b 8.93051
_cell_length_c 8.93051
_cell_angle_alpha 99.36717
_cell_angle_beta 99.36717
_cell_angle_gamma 99.36717
_cell_volume 680.14840
_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 0.75867 0.24133 0.50000 1.00000
Pr2 Pr 0.35272 0.08266 0.35272 1.00000
Pr3 Pr 0.35272 0.35272 0.08266 1.00000
Pr4 Pr 0.91734 0.64728 0.64728 1.00000
Pr5 Pr 0.64728 0.64728 0.91734 1.00000
Pr6 Pr 0.64728 0.91734 0.64728 1.00000
Pr7 Pr 0.50000 0.75867 0.24133 1.00000
Pr8 Pr 0.24133 0.50000 0.75867 1.00000
Pr9 Pr 0.24133 0.75867 0.50000 1.00000
Pr10 Pr 0.50000 0.24133 0.75867 1.00000
Pr11 Pr 0.75867 0.50000 0.24133 1.00000
Pr12 Pr 0.08266 0.35272 0.35272 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.90288 0.33650 0.90288 1.00000
Dy2 Dy 0.90288 0.90288 0.33650 1.00000
Dy3 Dy 0.33650 0.90288 0.90288 1.00000
Dy4 Dy 0.09712 0.09712 0.66350 1.00000
Dy5 Dy 0.09712 0.66350 0.09712 1.00000
Dy6 Dy 0.66350 0.09712 0.09712 1.00000
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