Pd8Pt3
Alexandria ALEXAlex-ID: agm045770174 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8_114_spg12
Pd3Pt2 Pd
2024-10-09 13:06:42.170764
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045770174).
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 agm045770174
data_agm045770174
_cell_length_a 7.40683
_cell_length_b 7.40683
_cell_length_c 6.24900
_cell_angle_alpha 75.45775
_cell_angle_beta 75.45775
_cell_angle_gamma 30.82048
_cell_volume 169.58522
_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
Pd1 Pd 0.40920 0.40920 0.45532 1.00000
Pd2 Pd 0.68186 0.68186 0.09285 1.00000
Pd3 Pd 0.86370 0.86370 0.18148 1.00000
Pd4 Pd 0.95454 0.95454 0.72906 1.00000
Pd5 Pd 0.13630 0.13630 0.81852 1.00000
Pd6 Pd 0.31814 0.31814 0.90715 1.00000
Pd7 Pd 0.59080 0.59080 0.54468 1.00000
Pd8 Pd 0.04546 0.04546 0.27094 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Pt2 Pt 0.77221 0.77221 0.63540 1.00000
Pt3 Pt 0.22779 0.22779 0.36460 1.00000
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