Dy4B3PdPt12
Alexandria ALEXAlex-ID: agm004705136 · Space group: Im-3m (#229)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_9_spg229
Dy2BPt6 BPd2 BPdPt DyBPt2
2022-07-03 10:24:37.600022
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004705136).
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 agm004705136
data_agm004705136
_cell_length_a 7.72309
_cell_length_b 7.72309
_cell_length_c 7.72309
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 354.60984
_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 0.50000 0.50000 0.50000 1.00000
Dy2 Dy 0.00000 0.00000 0.50000 1.00000
Dy3 Dy 0.50000 0.00000 0.00000 1.00000
Dy4 Dy 0.00000 0.50000 0.00000 1.00000
B1 B 0.50000 0.00000 0.50000 1.00000
B2 B 0.50000 0.50000 0.00000 1.00000
B3 B 0.00000 0.50000 0.50000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.25000 0.50000 0.75000 1.00000
Pt2 Pt 0.71942 0.00000 0.71942 1.00000
Pt3 Pt 0.28058 1.00000 0.28058 1.00000
Pt4 Pt 0.75000 0.50000 0.25000 1.00000
Pt5 Pt 0.71942 0.71942 0.00000 1.00000
Pt6 Pt 0.28058 0.28058 1.00000 1.00000
Pt7 Pt 0.75000 0.25000 0.50000 1.00000
Pt8 Pt 0.25000 0.75000 0.50000 1.00000
Pt9 Pt 0.50000 0.25000 0.75000 1.00000
Pt10 Pt 1.00000 0.71942 0.71942 1.00000
Pt11 Pt 0.50000 0.75000 0.25000 1.00000
Pt12 Pt 0.00000 0.28058 0.28058 1.00000
Get direct link