Dy2Pd3Pt
Alexandria ALEXAlex-ID: agm005604172 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2801_spg70
DyPd3 DyPt
2023-08-24 03:58:32.461867
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604172).
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 agm005604172
data_agm005604172
_cell_length_a 10.01255
_cell_length_b 10.01256
_cell_length_c 9.77391
_cell_angle_alpha 133.34868
_cell_angle_beta 133.34868
_cell_angle_gamma 70.11393
_cell_volume 501.98587
_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 0.86118 0.63869 0.69505 1.00000
Dy2 Dy 0.41613 0.69363 0.80495 1.00000
Dy3 Dy 0.36132 0.13881 0.30495 1.00000
Dy4 Dy 0.30637 0.58387 0.19505 1.00000
Dy5 Dy 0.94367 0.16614 0.30496 1.00000
Dy6 Dy 0.88870 0.61118 0.19504 1.00000
Dy7 Dy 0.38882 0.11130 0.80496 1.00000
Dy8 Dy 0.83386 0.05634 0.69504 1.00000
Pd1 Pd 0.28378 0.71622 1.00000 1.00000
Pd2 Pd 0.12499 0.87498 0.25000 1.00000
Pd3 Pd 0.12499 0.37498 0.25000 1.00000
Pd4 Pd 0.76666 0.76671 1.00000 1.00000
Pd5 Pd 0.71622 0.28378 1.00000 1.00000
Pd6 Pd 0.01666 0.51670 0.50000 1.00000
Pd7 Pd 0.62501 0.87501 0.75000 1.00000
Pd8 Pd 0.12501 0.87501 0.75000 1.00000
Pd9 Pd 0.48329 0.98334 0.50000 1.00000
Pd10 Pd 0.53378 0.46622 0.50000 1.00000
Pd11 Pd 0.23330 0.23334 0.00000 1.00000
Pd12 Pd 0.96622 0.03378 0.50000 1.00000
Pt1 Pt 0.36236 0.36235 0.72471 1.00000
Pt2 Pt 0.63766 0.63764 0.27529 1.00000
Pt3 Pt 0.61237 0.11235 0.22471 1.00000
Pt4 Pt 0.88765 0.38764 0.77529 1.00000
