PrDy3Hg
Alexandria ALEXAlex-ID: agm005776572 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6235_spg63
PrDy5 Dy2Hg Pr
2023-07-05 12:40:41.115357
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776572).
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 agm005776572
data_agm005776572
_cell_length_a 3.65444
_cell_length_b 5.56323
_cell_length_c 14.99128
_cell_angle_alpha 89.73162
_cell_angle_beta 97.00095
_cell_angle_gamma 89.99999
_cell_volume 302.50446
_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 0.73335 0.75071 0.46671 1.00000
Pr2 Pr 0.26665 0.24929 0.53329 1.00000
Dy1 Dy 0.04823 0.26208 0.09647 1.00000
Dy2 Dy 0.95177 0.73792 0.90353 1.00000
Dy3 Dy 0.34277 0.74802 0.68555 1.00000
Dy4 Dy 0.65723 0.25198 0.31445 1.00000
Dy5 Dy 0.12541 0.75418 0.25082 1.00000
Dy6 Dy 0.87459 0.24582 0.74918 1.00000
Hg1 Hg 0.54068 0.76904 0.08136 1.00000
Hg2 Hg 0.45932 0.23096 0.91864 1.00000
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