PmDy3Hg
Alexandria ALEXAlex-ID: agm005776668 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_8717_spg12
Pm3Dy5 Dy2Hg Pm
2023-07-09 11:00:40.871987
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776668).
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 agm005776668
data_agm005776668
_cell_length_a 10.99139
_cell_length_b 10.99139
_cell_length_c 8.17014
_cell_angle_alpha 74.34886
_cell_angle_beta 74.34886
_cell_angle_gamma 18.64642
_cell_volume 303.56024
_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
Pm1 Pm 0.73789 0.73789 0.17839 1.00000
Pm2 Pm 0.26211 0.26211 0.82161 1.00000
Dy1 Dy 0.01317 0.01317 0.76016 1.00000
Dy2 Dy 0.98683 0.98683 0.23984 1.00000
Dy3 Dy 0.38521 0.38521 0.03984 1.00000
Dy4 Dy 0.61479 0.61479 0.96016 1.00000
Dy5 Dy 0.17290 0.17290 0.55054 1.00000
Dy6 Dy 0.82710 0.82710 0.44946 1.00000
Hg1 Hg 0.58057 0.58057 0.39119 1.00000
Hg2 Hg 0.41943 0.41943 0.60881 1.00000
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