Pr4Dy4Ti3
Alexandria ALEXAlex-ID: agm010033129 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_29_spg12
Pr PrDy5 Ti
2024-06-02 02:43:07.145061
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010033129).
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 agm010033129
data_agm010033129
_cell_length_a 17.90857
_cell_length_b 17.90857
_cell_length_c 3.43594
_cell_angle_alpha 84.67786
_cell_angle_beta 84.67786
_cell_angle_gamma 16.74433
_cell_volume 316.07893
_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 0.04682 0.04682 0.94339 1.00000
Pr2 Pr 0.95318 0.95318 0.05661 1.00000
Pr3 Pr 0.32151 0.32151 0.18134 1.00000
Pr4 Pr 0.67849 0.67849 0.81866 1.00000
Dy1 Dy 0.59453 0.59453 0.39867 1.00000
Dy2 Dy 0.77951 0.77951 0.72209 1.00000
Dy3 Dy 0.22049 0.22049 0.27791 1.00000
Dy4 Dy 0.40547 0.40547 0.60133 1.00000
Ti1 Ti 0.13698 0.13698 0.85823 1.00000
Ti2 Ti 0.86302 0.86302 0.14177 1.00000
Ti3 Ti 0.50000 0.50000 0.50000 1.00000
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