Y(PbO3)4
Alexandria ALEXAlex-ID: agm099622656 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_443_spg6
YO5 PbO2 YO2
2025-04-21 04:18:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099622656).
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 agm099622656
data_agm099622656
_cell_length_a 4.19751
_cell_length_b 7.70729
_cell_length_c 7.89262
_cell_angle_alpha 85.86233
_cell_angle_beta 90.00698
_cell_angle_gamma 90.00350
_cell_volume 254.67200
_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
Y1 Y 0.44104 0.19802 0.68886 1.00000
Pb1 Pb 0.94102 0.04032 0.04141 1.00000
Pb2 Pb 0.94094 0.86397 0.54167 1.00000
Pb3 Pb 0.94112 0.53182 0.86310 1.00000
Pb4 Pb 0.94094 0.40452 0.36653 1.00000
O1 O 0.44098 0.92623 0.58373 1.00000
O2 O 0.44093 0.34384 0.41903 1.00000
O3 O 0.44108 0.46998 0.81355 1.00000
O4 O 0.44221 0.66799 0.24099 1.00000
O5 O 0.44104 0.07265 0.97266 1.00000
O6 O 0.94093 0.16216 0.54833 1.00000
O7 O 0.44142 0.69356 0.08412 1.00000
O8 O 0.94091 0.58368 0.56378 1.00000
O9 O 0.94106 0.23417 0.80396 1.00000
O10 O 0.94077 0.35541 0.10732 1.00000
O11 O 0.94113 0.81607 0.84149 1.00000
O12 O 0.94248 0.88562 0.26948 1.00000
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