K4Pt2Pb3
Alexandria ALEXAlex-ID: agm005616680 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_711_spg12
KPt2 KPb
2023-06-27 07:15:21.539049
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005616680).
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 agm005616680
data_agm005616680
_cell_length_a 4.31222
_cell_length_b 8.65688
_cell_length_c 9.16036
_cell_angle_alpha 111.13446
_cell_angle_beta 103.61365
_cell_angle_gamma 89.99998
_cell_volume 308.63552
_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 0.22572 0.64931 0.45144 1.00000
K2 K 0.77428 0.35069 0.54856 1.00000
K3 K 0.60200 0.88433 0.20400 1.00000
K4 K 0.39800 0.11567 0.79600 1.00000
Pt1 Pt 0.42512 0.60213 0.85024 1.00000
Pt2 Pt 0.57488 0.39787 0.14976 1.00000
Pb1 Pb 0.08811 0.20081 0.17621 1.00000
Pb2 Pb 0.91189 0.79919 0.82379 1.00000
Pb3 Pb 0.00000 0.50000 0.00000 1.00000
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