Pd(PtPb2)4
Alexandria ALEXAlex-ID: agm097644690 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_158_spg12
Pt2Pb3 PdPb2
2025-06-22 11:01:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097644690).
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 agm097644690
data_agm097644690
_cell_length_a 5.95963
_cell_length_b 8.10946
_cell_length_c 8.11043
_cell_angle_alpha 119.99569
_cell_angle_beta 89.99923
_cell_angle_gamma 90.00044
_cell_volume 339.47276
_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 0.50000 0.00012 0.00001 1.00000
Pt1 Pt 1.00000 0.00047 0.00005 1.00000
Pt2 Pt 0.00004 0.99977 0.49996 1.00000
Pt3 Pt 0.99999 0.49991 0.99998 1.00000
Pt4 Pt 0.99998 0.49980 0.50000 1.00000
Pb1 Pb 0.26456 0.17346 0.34722 1.00000
Pb2 Pb 0.26477 0.17369 0.82618 1.00000
Pb3 Pb 0.27066 0.66639 0.33326 1.00000
Pb4 Pb 0.26423 0.65303 0.82651 1.00000
Pb5 Pb 0.73519 0.34753 0.17382 1.00000
Pb6 Pb 0.72936 0.33308 0.66667 1.00000
Pb7 Pb 0.73572 0.82648 0.17349 1.00000
Pb8 Pb 0.73551 0.82627 0.65284 1.00000
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