Li2PbO3
Alexandria ALEXAlex-ID: agm005755321 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_128_spg9
Li2PbO3
2023-08-22 07:49:15.996024
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755321).
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 agm005755321
data_agm005755321
_cell_length_a 5.74105
_cell_length_b 5.74105
_cell_length_c 5.83475
_cell_angle_alpha 100.83184
_cell_angle_beta 100.83180
_cell_angle_gamma 118.44591
_cell_volume 157.27652
_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
Li1 Li 0.58785 0.44469 0.00765 1.00000
Li2 Li 0.75878 0.26844 0.51492 1.00000
Li3 Li 0.44469 0.58785 0.50765 1.00000
Li4 Li 0.26844 0.75878 0.01492 1.00000
Pb1 Pb 0.10423 0.89392 0.49713 1.00000
Pb2 Pb 0.89392 0.10423 0.99713 1.00000
O1 O 0.06204 0.22226 0.39211 1.00000
O2 O 0.22226 0.06204 0.89211 1.00000
O3 O 0.88525 0.41930 0.88588 1.00000
O4 O 0.41930 0.88525 0.38588 1.00000
O5 O 0.53472 0.71355 0.87358 1.00000
O6 O 0.71355 0.53472 0.37358 1.00000
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