Pr4Dy3Th2
Alexandria ALEXAlex-ID: agm005652737 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_422_spg15
DyTh Pr PrDy5
2023-06-28 00:37:18.011500
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652737).
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 agm005652737
data_agm005652737
_cell_length_a 6.22808
_cell_length_b 10.15449
_cell_length_c 10.15449
_cell_angle_alpha 72.00584
_cell_angle_beta 83.54846
_cell_angle_gamma 83.54848
_cell_volume 604.86873
_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 0.51739 0.08479 0.81225 1.00000
Pr2 Pr 0.98261 0.18775 0.91521 1.00000
Pr3 Pr 0.48261 0.91521 0.18775 1.00000
Pr4 Pr 0.01739 0.81225 0.08479 1.00000
Pr5 Pr 0.65103 0.84452 0.58774 1.00000
Pr6 Pr 0.84897 0.41226 0.15548 1.00000
Pr7 Pr 0.34897 0.15548 0.41226 1.00000
Pr8 Pr 0.15103 0.58774 0.84452 1.00000
Dy1 Dy 0.08000 0.94562 0.71366 1.00000
Dy2 Dy 0.42000 0.28634 0.05438 1.00000
Dy3 Dy 0.92000 0.05438 0.28634 1.00000
Dy4 Dy 0.58000 0.71366 0.94562 1.00000
Dy5 Dy 0.25000 0.39206 0.60794 1.00000
Dy6 Dy 0.75000 0.60794 0.39206 1.00000
Th1 Th 0.19023 0.74385 0.47087 1.00000
Th2 Th 0.30977 0.52913 0.25615 1.00000
Th3 Th 0.80977 0.25615 0.52913 1.00000
Th4 Th 0.69023 0.47087 0.74385 1.00000
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