LiBi2As2(PbO5)2
Alexandria ALEXAlex-ID: agm005276038 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E10_23_spg1
As2Pb2O5 BiAsPbO5 As2Pb8O13 Li3AsO4 Bi2O3
2023-05-07 12:11:37.522349
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005276038).
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 agm005276038
data_agm005276038
_cell_length_a 5.88985
_cell_length_b 7.43093
_cell_length_c 7.52655
_cell_angle_alpha 108.10391
_cell_angle_beta 95.81486
_cell_angle_gamma 111.73961
_cell_volume 281.96595
_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 0.45785 0.06970 0.79725 1.00000
Bi1 Bi 0.08222 0.03383 0.22403 1.00000
Bi2 Bi 0.89120 0.93910 0.73314 1.00000
As1 As 0.65032 0.34052 0.63802 1.00000
As2 As 0.35869 0.65978 0.36295 1.00000
Pb1 Pb 0.30907 0.67968 0.89669 1.00000
Pb2 Pb 0.74661 0.38511 0.17115 1.00000
O1 O 0.15315 0.38995 0.30598 1.00000
O2 O 0.81799 0.24623 0.76152 1.00000
O3 O 0.85001 0.60465 0.71304 1.00000
O4 O 0.57522 0.22331 0.38857 1.00000
O5 O 0.65315 0.69653 0.31081 1.00000
O6 O 0.37696 0.28007 0.71558 1.00000
O7 O 0.75218 0.97088 0.99042 1.00000
O8 O 0.24332 0.00646 0.97330 1.00000
O9 O 0.43874 0.80138 0.62068 1.00000
O10 O 0.17243 0.73765 0.22094 1.00000
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