PrDy2Ho4Sc
Alexandria ALEXAlex-ID: agm004863337 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_346_spg74
Dy5Ho PrDyHo4 PrDy5 Sc
2023-01-29 08:18:43.080947
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004863337).
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 agm004863337
data_agm004863337
_cell_length_a 9.37661
_cell_length_b 9.37659
_cell_length_c 11.62027
_cell_angle_alpha 128.29238
_cell_angle_beta 128.29251
_cell_angle_gamma 88.51600
_cell_volume 512.07873
_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 0.50000 0.50000 0.50000 1.00000
Pr2 Pr 0.99999 0.00000 1.00000 1.00000
Dy1 Dy 0.50000 0.00000 0.00000 1.00000
Dy2 Dy 0.50000 0.00000 0.50000 1.00000
Dy3 Dy 0.00000 0.00000 0.50000 1.00000
Dy4 Dy 0.50000 0.50000 1.00000 1.00000
Ho1 Ho 0.24619 0.74150 0.99358 1.00000
Ho2 Ho 0.75849 0.25382 0.50642 1.00000
Ho3 Ho 0.24150 0.74617 0.49358 1.00000
Ho4 Ho 0.75383 0.25850 0.00642 1.00000
Ho5 Ho 0.76032 0.74314 0.00387 1.00000
Ho6 Ho 0.75685 0.73968 0.49613 1.00000
Ho7 Ho 0.24315 0.26032 0.50387 1.00000
Ho8 Ho 0.23968 0.25686 0.99613 1.00000
Sc1 Sc 0.00000 0.50000 0.00001 1.00000
Sc2 Sc 1.00000 0.50000 0.49999 1.00000
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