Dy6Hg3IrPd2
Alexandria ALEXAlex-ID: agm041293095 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_242_spg12
Dy2HgIr Dy6Hg5Ir DyPd
2024-12-20 06:24:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041293095).
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 agm041293095
data_agm041293095
_cell_length_a 7.87921
_cell_length_b 7.87921
_cell_length_c 7.57371
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.31482
_cell_volume 280.90057
_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
Dy1 Dy 0.33693 0.66307 0.27389 1.00000
Dy2 Dy 0.00000 0.00000 0.72116 1.00000
Dy3 Dy 0.66307 0.33693 0.72611 1.00000
Dy4 Dy 0.66307 0.33693 0.27389 1.00000
Dy5 Dy 0.00000 0.00000 0.27884 1.00000
Dy6 Dy 0.33693 0.66307 0.72611 1.00000
Hg1 Hg 0.83386 0.16614 0.00000 1.00000
Hg2 Hg 0.16614 0.83386 0.00000 1.00000
Hg3 Hg 0.50000 0.50000 0.00000 1.00000
Ir1 Ir 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.17338 0.82662 0.50000 1.00000
Pd2 Pd 0.82662 0.17338 0.50000 1.00000
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