KMg5Pb6
Alexandria ALEXAlex-ID: agm006134232 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
MgPb KPb2 K3Mg18Pb11
2023-08-31 15:33:47.531765
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006134232).
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 agm006134232
data_agm006134232
_cell_length_a 4.86907
_cell_length_b 8.75680
_cell_length_c 9.30777
_cell_angle_alpha 118.01757
_cell_angle_beta 104.33626
_cell_angle_gamma 89.99368
_cell_volume 336.29195
_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 0.82575 0.57301 0.65869 1.00000
Pb2 Pb 0.82587 0.08558 0.65861 1.00000
Pb3 Pb 0.49972 0.71123 0.99940 1.00000
Pb4 Pb 0.50028 0.28877 0.00060 1.00000
Pb5 Pb 0.17413 0.91442 0.34139 1.00000
Pb6 Pb 0.17425 0.42699 0.34131 1.00000
K1 K 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.67821 0.17964 0.35893 1.00000
Mg2 Mg 0.32089 0.32757 0.65539 1.00000
Mg3 Mg 0.00000 0.50000 0.00000 1.00000
Mg4 Mg 0.67911 0.67243 0.34461 1.00000
Mg5 Mg 0.32179 0.82036 0.64107 1.00000
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