Pd4Pt9
Alexandria ALEXAlex-ID: agm029357864 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B9_2_spg87
PdPt4 Pd2Pt3
2024-09-25 00:47:55.374451
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm029357864).
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 agm029357864
data_agm029357864
_cell_length_a 7.39272
_cell_length_b 7.39272
_cell_length_c 7.39272
_cell_angle_alpha 94.15790
_cell_angle_beta 94.15790
_cell_angle_gamma 148.75857
_cell_volume 201.80862
_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 0.23222 0.84530 0.07752 1.00000
Pd2 Pd 0.76778 0.15470 0.92248 1.00000
Pd3 Pd 0.15470 0.23222 0.38692 1.00000
Pd4 Pd 0.84530 0.76778 0.61308 1.00000
Pt1 Pt 0.07648 0.61614 0.69261 1.00000
Pt2 Pt 0.38386 0.07648 0.46034 1.00000
Pt3 Pt 0.92352 0.38386 0.30739 1.00000
Pt4 Pt 0.61614 0.92352 0.53966 1.00000
Pt5 Pt 0.30821 0.46252 0.77073 1.00000
Pt6 Pt 0.69179 0.53748 0.22927 1.00000
Pt7 Pt 0.00000 0.00000 0.00000 1.00000
Pt8 Pt 0.46252 0.69179 0.15431 1.00000
Pt9 Pt 0.53748 0.30821 0.84569 1.00000
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