K(AgPb3)2
Alexandria ALEXAlex-ID: agm097937752 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_949_spg12
KPb2 Pb Ag
2025-04-07 01:39:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097937752).
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
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# CIF generated by HEAS from Alexandria entry agm097937752
data_agm097937752
_cell_length_a 5.83243
_cell_length_b 5.97274
_cell_length_c 8.94277
_cell_angle_alpha 113.08981
_cell_angle_beta 109.57646
_cell_angle_gamma 81.81701
_cell_volume 269.98379
_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 0.28772 0.22869 0.00725 1.00000
Ag1 Ag 0.82549 0.08283 0.32326 1.00000
Ag2 Ag 0.17340 0.94914 0.58713 1.00000
Pb1 Pb 0.71092 0.72259 0.92545 1.00000
Pb2 Pb 0.48995 0.48300 0.47677 1.00000
Pb3 Pb 0.87726 0.53644 0.27265 1.00000
Pb4 Pb 0.10394 0.53318 0.69937 1.00000
Pb5 Pb 0.32889 0.87863 0.26730 1.00000
Pb6 Pb 0.70243 0.08549 0.69082 1.00000
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