Pr7Dy3Er
Alexandria ALEXAlex-ID: agm005980652 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_304_spg15
PrDyEr4 PrDy5 Pr
2023-08-14 03:06:36.592970
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005980652).
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 agm005980652
data_agm005980652
_cell_length_a 10.38636
_cell_length_b 10.39115
_cell_length_c 12.75376
_cell_angle_alpha 115.12979
_cell_angle_beta 64.87012
_cell_angle_gamma 139.36420
_cell_volume 799.23816
_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 0.16190 0.84682 0.22752 1.00000
Pr2 Pr 0.15338 0.83817 0.72750 1.00000
Pr3 Pr 0.08972 0.41874 0.52255 1.00000
Pr4 Pr 0.08476 0.41966 0.02779 1.00000
Pr5 Pr 0.58072 0.90980 0.02253 1.00000
Pr6 Pr 0.57979 0.91476 0.52791 1.00000
Pr7 Pr 0.29812 0.29808 0.74997 1.00000
Pr8 Pr 0.70188 0.70192 0.25002 1.00000
Pr9 Pr 0.41928 0.09020 0.97747 1.00000
Pr10 Pr 0.42021 0.08524 0.47209 1.00000
Pr11 Pr 0.91525 0.58034 0.97221 1.00000
Pr12 Pr 0.91028 0.58126 0.47745 1.00000
Pr13 Pr 0.84662 0.16183 0.27250 1.00000
Pr14 Pr 0.83810 0.15318 0.77248 1.00000
Dy1 Dy 0.32490 0.66860 0.77315 1.00000
Dy2 Dy 0.00000 0.00000 0.00000 1.00000
Dy3 Dy 0.00000 1.00000 0.50000 1.00000
Dy4 Dy 0.33126 0.67499 0.27316 1.00000
Dy5 Dy 0.66874 0.32501 0.72684 1.00000
Dy6 Dy 0.67510 0.33140 0.22685 1.00000
Er1 Er 0.50000 0.50000 1.00000 1.00000
Er2 Er 0.50000 0.50000 0.50000 1.00000
