K(GaPb2)4
Alexandria ALEXAlex-ID: agm097534879 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1283_spg6
KPb2 K3Ga13 Pb
2025-06-22 00:27:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097534879).
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 agm097534879
data_agm097534879
_cell_length_a 6.24387
_cell_length_b 9.16672
_cell_length_c 6.89769
_cell_angle_alpha 105.66938
_cell_angle_beta 87.56051
_cell_angle_gamma 90.50038
_cell_volume 379.77700
_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 0.53355 0.98725 0.70724 1.00000
Ga1 Ga 0.03122 0.98352 0.89287 1.00000
Ga2 Ga 0.13491 0.57711 0.06434 1.00000
Ga3 Ga 0.86157 0.37925 0.55059 1.00000
Ga4 Ga 0.05568 0.11590 0.58694 1.00000
Pb1 Pb 0.26271 0.89731 0.20791 1.00000
Pb2 Pb 0.27423 0.29257 0.18605 1.00000
Pb3 Pb 0.36842 0.38998 0.68703 1.00000
Pb4 Pb 0.11005 0.67953 0.56126 1.00000
Pb5 Pb 0.73995 0.06433 0.25230 1.00000
Pb6 Pb 0.61937 0.60701 0.37510 1.00000
Pb7 Pb 0.72244 0.69923 0.93600 1.00000
Pb8 Pb 0.78590 0.32701 0.99236 1.00000
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