Li2As2PbO7
Alexandria ALEXAlex-ID: agm004589550 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_6_spg155
As2Pb3O8 As2PbO6 Li3AsO4
2022-06-25 13:24:10.518141
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004589550).
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 agm004589550
data_agm004589550
_cell_length_a 5.51046
_cell_length_b 5.51046
_cell_length_c 8.35605
_cell_angle_alpha 70.74771
_cell_angle_beta 70.74771
_cell_angle_gamma 60.00000
_cell_volume 203.18879
_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 0.74925 0.74925 0.75224 1.00000
Li2 Li 0.25075 0.25075 0.24776 1.00000
As1 As 0.92370 0.92370 0.22889 1.00000
As2 As 0.07630 0.07630 0.77111 1.00000
Pb1 Pb 0.50000 0.50000 0.50000 1.00000
O1 O 0.18910 0.92346 0.29069 1.00000
O2 O 0.59676 0.18910 0.29069 1.00000
O3 O 0.92346 0.59676 0.29069 1.00000
O4 O 0.40324 0.07654 0.70931 1.00000
O5 O 0.81090 0.40324 0.70931 1.00000
O6 O 0.00000 0.00000 0.00000 1.00000
O7 O 0.07654 0.81090 0.70931 1.00000
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