Pm4Pb3O2
Alexandria ALEXAlex-ID: agm005643524 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_512_spg12
Pm2PbO2 Pm5Pb4 PmPb2
2023-06-27 20:18:56.451620
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643524).
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 agm005643524
data_agm005643524
_cell_length_a 3.91144
_cell_length_b 7.33063
_cell_length_c 9.49523
_cell_angle_alpha 66.59827
_cell_angle_beta 78.11380
_cell_angle_gamma 74.52683
_cell_volume 239.26399
_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
Pm1 Pm 0.29517 0.26530 0.14436 1.00000
Pm2 Pm 0.70483 0.73469 0.85564 1.00000
Pm3 Pm 0.12866 0.17155 0.57113 1.00000
Pm4 Pm 0.87134 0.82845 0.42887 1.00000
Pb1 Pb 0.41028 0.44217 0.73728 1.00000
Pb2 Pb 0.00000 0.00000 0.00000 1.00000
Pb3 Pb 0.58972 0.55783 0.26272 1.00000
O1 O 0.29957 0.01784 0.38302 1.00000
O2 O 0.70043 0.98216 0.61698 1.00000
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