Dy2Mg15Pd2
Alexandria ALEXAlex-ID: agm008443391 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C15_1_spg166
DyMg7 DyMg2Pd Mg29Pd4
2024-05-29 17:19:54.826761
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008443391).
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 agm008443391
data_agm008443391
_cell_length_a 7.62421
_cell_length_b 7.62421
_cell_length_c 7.62421
_cell_angle_alpha 81.90861
_cell_angle_beta 81.90861
_cell_angle_gamma 81.90861
_cell_volume 431.08495
_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 0.31498 0.31498 0.31498 1.00000
Dy2 Dy 0.68502 0.68502 0.68502 1.00000
Mg1 Mg 0.50000 0.00000 0.00000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
Mg3 Mg 0.00000 0.50000 0.00000 1.00000
Mg4 Mg 0.00000 0.70830 0.29170 1.00000
Mg5 Mg 0.70830 0.29170 0.00000 1.00000
Mg6 Mg 0.29170 0.00000 0.70830 1.00000
Mg7 Mg 0.29170 0.70830 0.00000 1.00000
Mg8 Mg 0.70830 0.00000 0.29170 1.00000
Mg9 Mg 0.00000 0.29170 0.70830 1.00000
Mg10 Mg 0.14971 0.65074 0.65074 1.00000
Mg11 Mg 0.65074 0.65074 0.14971 1.00000
Mg12 Mg 0.65074 0.14971 0.65074 1.00000
Mg13 Mg 0.85029 0.34926 0.34926 1.00000
Mg14 Mg 0.34926 0.34926 0.85029 1.00000
Mg15 Mg 0.34926 0.85029 0.34926 1.00000
Pd1 Pd 0.11274 0.11274 0.11274 1.00000
Pd2 Pd 0.88726 0.88726 0.88726 1.00000
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