PmDy2HoHg2
Alexandria ALEXAlex-ID: agm048060465 · Space group: Pmc2_1 (#26)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_597_spg2
DyHoHg Pm2Hg Dy2Hg
2025-01-19 02:25:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048060465).
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 agm048060465
data_agm048060465
_cell_length_a 5.18031
_cell_length_b 6.99958
_cell_length_c 9.33271
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 338.40379
_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 0.50000 0.18431 0.32765 1.00000
Pm2 Pm 0.50000 0.68431 0.67235 1.00000
Dy1 Dy 0.50000 0.02247 0.94865 1.00000
Dy2 Dy 0.00000 0.33189 0.82514 1.00000
Dy3 Dy 0.50000 0.52247 0.05135 1.00000
Dy4 Dy 0.00000 0.83189 0.17486 1.00000
Ho1 Ho 0.00000 0.99462 0.55287 1.00000
Ho2 Ho 0.00000 0.49462 0.44713 1.00000
Hg1 Hg 0.00000 0.27389 0.14663 1.00000
Hg2 Hg 0.50000 0.23715 0.65588 1.00000
Hg3 Hg 0.00000 0.77389 0.85337 1.00000
Hg4 Hg 0.50000 0.73715 0.34412 1.00000
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