K3Pt3Pb8
Alexandria ALEXAlex-ID: agm005695038 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
KPtPb2 KPb2 PtPb4
2023-06-29 10:27:57.646994
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695038).
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 agm005695038
data_agm005695038
_cell_length_a 4.91032
_cell_length_b 9.76507
_cell_length_c 9.76509
_cell_angle_alpha 75.82898
_cell_angle_beta 75.43819
_cell_angle_gamma 75.43840
_cell_volume 430.31314
_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
K1 K 0.50000 0.50000 0.50000 1.00000
K2 K 0.84664 0.15336 0.15336 1.00000
K3 K 0.15336 0.84664 0.84664 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
Pt2 Pt 0.00000 0.73748 0.26252 1.00000
Pt3 Pt 1.00000 0.26252 0.73748 1.00000
Pb1 Pb 0.60781 0.09155 0.69283 1.00000
Pb2 Pb 0.39219 0.90845 0.30717 1.00000
Pb3 Pb 0.60781 0.69283 0.09155 1.00000
Pb4 Pb 0.39219 0.30717 0.90845 1.00000
Pb5 Pb 0.82985 0.80448 0.53582 1.00000
Pb6 Pb 0.17015 0.19552 0.46418 1.00000
Pb7 Pb 0.82985 0.53582 0.80448 1.00000
Pb8 Pb 0.17015 0.46418 0.19552 1.00000
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