Y2Si(PdPt2)2
Alexandria ALEXAlex-ID: agm004568802 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_166_spg139
Y3Si2Pt7 Y4SiPt12 Y3(Si3Pd10)2 Y8SiPd24
2022-06-19 20:51:45.780389
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004568802).
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 agm004568802
data_agm004568802
_cell_length_a 6.11989
_cell_length_b 6.11989
_cell_length_c 6.11989
_cell_angle_alpha 90.60143
_cell_angle_beta 119.65338
_cell_angle_gamma 119.65338
_cell_volume 162.91428
_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
Y1 Y 0.50000 0.75000 0.25000 1.00000
Y2 Y 0.50000 0.25000 0.75000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 1.00000 0.72785 0.72785 1.00000
Pd2 Pd 0.00000 0.27215 0.27215 1.00000
Pt1 Pt 0.00000 0.73190 0.26810 1.00000
Pt2 Pt 0.46381 0.73190 0.73190 1.00000
Pt3 Pt 0.00000 0.26810 0.73190 1.00000
Pt4 Pt 0.53619 0.26810 0.26810 1.00000
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