PrNd5Dy12
Alexandria ALEXAlex-ID: agm062907754 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_2_spg12
Nd3Dy5 PrNd3Dy4 PrDy5
2024-12-23 10:38:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062907754).
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 agm062907754
data_agm062907754
_cell_length_a 6.26752
_cell_length_b 6.26752
_cell_length_c 17.45602
_cell_angle_alpha 86.59831
_cell_angle_beta 93.40169
_cell_angle_gamma 59.97805
_cell_volume 589.50782
_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 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.16664 0.16664 0.50000 1.00000
Nd3 Nd 0.83336 0.83336 0.50000 1.00000
Nd4 Nd 0.66667 0.66667 0.00000 1.00000
Nd5 Nd 0.33333 0.33333 0.00000 1.00000
Dy1 Dy 0.11074 0.88926 0.33166 1.00000
Dy2 Dy 0.88926 0.11074 0.66834 1.00000
Dy3 Dy 0.39021 0.60979 0.16846 1.00000
Dy4 Dy 0.60979 0.39021 0.83154 1.00000
Dy5 Dy 0.05660 0.27702 0.16846 1.00000
Dy6 Dy 0.27702 0.05660 0.83154 1.00000
Dy7 Dy 0.72298 0.94340 0.16846 1.00000
Dy8 Dy 0.94340 0.72298 0.83154 1.00000
Dy9 Dy 0.22257 0.44411 0.66833 1.00000
Dy10 Dy 0.55589 0.77743 0.66833 1.00000
Dy11 Dy 0.44411 0.22257 0.33167 1.00000
Dy12 Dy 0.77743 0.55589 0.33167 1.00000
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