Ac4Pb3O2
Alexandria ALEXAlex-ID: agm005643497 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_151_spg15
Ac3Pb4 Ac2PbO2 Ac5Pb4
2023-06-30 22:05:49.703431
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643497).
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 agm005643497
data_agm005643497
_cell_length_a 7.37460
_cell_length_b 9.23131
_cell_length_c 9.23131
_cell_angle_alpha 71.44163
_cell_angle_beta 83.29009
_cell_angle_gamma 83.29010
_cell_volume 589.56127
_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
Ac1 Ac 0.50746 0.94484 0.30883 1.00000
Ac2 Ac 0.99254 0.69117 0.05516 1.00000
Ac3 Ac 0.49254 0.05516 0.69117 1.00000
Ac4 Ac 0.00746 0.30883 0.94484 1.00000
Ac5 Ac 0.10180 0.25913 0.38657 1.00000
Ac6 Ac 0.39820 0.61343 0.74087 1.00000
Ac7 Ac 0.89820 0.74087 0.61343 1.00000
Ac8 Ac 0.60180 0.38657 0.25913 1.00000
Pb1 Pb 0.00890 0.96578 0.24450 1.00000
Pb2 Pb 0.49110 0.75550 0.03422 1.00000
Pb3 Pb 0.99110 0.03422 0.75550 1.00000
Pb4 Pb 0.50890 0.24450 0.96578 1.00000
Pb5 Pb 0.25000 0.63000 0.37000 1.00000
Pb6 Pb 0.75000 0.37000 0.63000 1.00000
O1 O 0.42322 0.16629 0.41522 1.00000
O2 O 0.07678 0.58478 0.83371 1.00000
O3 O 0.57678 0.83371 0.58478 1.00000
O4 O 0.92322 0.41522 0.16629 1.00000
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