KYPb
Alexandria ALEXAlex-ID: agm003087948 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2284_spg38
Y5Pb4 K KPb
2015-06-16 02:48:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003087948).
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 agm003087948
data_agm003087948
_cell_length_a 7.14890
_cell_length_b 6.17855
_cell_length_c 6.17849
_cell_angle_alpha 88.05351
_cell_angle_beta 102.07094
_cell_angle_gamma 77.90634
_cell_volume 260.08098
_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
Pb1 Pb 0.56610 0.54514 0.17110 1.00000
Pb2 Pb 0.56715 0.04481 0.67123 1.00000
Y1 Y 0.60591 0.03520 0.18092 1.00000
Y2 Y 0.60622 0.53502 0.68114 1.00000
K1 K 0.09574 0.40972 0.30695 1.00000
K2 K 0.09613 0.90964 0.80646 1.00000
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