K4PbO4
Alexandria ALEXAlex-ID: agm021769045 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_47_spg14
K4PbO4
2024-09-13 12:56:03.048273
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021769045).
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 agm021769045
data_agm021769045
_cell_length_a 6.92329
_cell_length_b 10.82756
_cell_length_c 11.35643
_cell_angle_alpha 70.22820
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 801.11845
_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 0.59561 0.17144 0.40342 1.00000
K2 K 0.29172 0.43716 0.20219 1.00000
K3 K 0.40439 0.82856 0.59658 1.00000
K4 K 0.09561 0.82856 0.09658 1.00000
K5 K 0.57622 0.95138 0.18597 1.00000
K6 K 0.42378 0.04862 0.81403 1.00000
K7 K 0.07622 0.04862 0.31403 1.00000
K8 K 0.92378 0.95138 0.68597 1.00000
K9 K 0.79172 0.56284 0.29781 1.00000
K10 K 0.90439 0.17144 0.90342 1.00000
K11 K 0.20828 0.43716 0.70219 1.00000
K12 K 0.70828 0.56284 0.79781 1.00000
K13 K 0.66487 0.36574 0.60905 1.00000
K14 K 0.83513 0.36574 0.10905 1.00000
K15 K 0.16487 0.63426 0.89095 1.00000
K16 K 0.33513 0.63426 0.39095 1.00000
Pb1 Pb 0.63296 0.75231 0.00004 1.00000
Pb2 Pb 0.36704 0.24769 0.99996 1.00000
Pb3 Pb 0.13296 0.24769 0.49996 1.00000
Pb4 Pb 0.86704 0.75231 0.50004 1.00000
O1 O 0.24481 0.05809 0.52890 1.00000
O2 O 0.25519 0.05809 0.02890 1.00000
O3 O 0.12953 0.37659 0.95889 1.00000
O4 O 0.95289 0.31084 0.34037 1.00000
O5 O 0.50570 0.23186 0.16844 1.00000
O6 O 0.99430 0.23186 0.66844 1.00000
O7 O 0.74481 0.94191 0.97110 1.00000
O8 O 0.75519 0.94191 0.47110 1.00000
O9 O 0.87047 0.62341 0.04111 1.00000
O10 O 0.49430 0.76814 0.83156 1.00000
O11 O 0.45289 0.68916 0.15963 1.00000
O12 O 0.00570 0.76814 0.33156 1.00000
O13 O 0.62953 0.62341 0.54111 1.00000
O14 O 0.04711 0.68916 0.65963 1.00000
O15 O 0.37047 0.37659 0.45889 1.00000
O16 O 0.54711 0.31084 0.84037 1.00000
