Li2Pb3(IO2)2
Alexandria ALEXAlex-ID: agm004489484 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_18_spg139
Li5IO6 Pb13(I3O5)2 Pb3(IO)2 Li2O
2022-06-18 02:12:13.266847
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004489484).
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 agm004489484
data_agm004489484
_cell_length_a 3.99885
_cell_length_b 3.99885
_cell_length_c 14.00735
_cell_angle_alpha 98.20649
_cell_angle_beta 98.20649
_cell_angle_gamma 90.00000
_cell_volume 219.37757
_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 0.44293 0.44293 0.88586 1.00000
Li2 Li 0.55707 0.55707 0.11414 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.11564 0.11564 0.23128 1.00000
Pb3 Pb 0.88436 0.88436 0.76872 1.00000
I1 I 0.31845 0.31845 0.63691 1.00000
I2 I 0.68155 0.68155 0.36309 1.00000
O1 O 0.44785 0.94785 0.89569 1.00000
O2 O 0.94785 0.44785 0.89569 1.00000
O3 O 0.05215 0.55215 0.10431 1.00000
O4 O 0.55215 0.05215 0.10431 1.00000
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