RhPbO3
Alexandria ALEXAlex-ID: agm002172136 · Space group: Fd-3m (#227)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_47_spg227
Rh4Pb4O13 PbO Rh
2017-04-21 14:05:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002172136).
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 agm002172136
data_agm002172136
_cell_length_a 7.28535
_cell_length_b 7.28535
_cell_length_c 7.28539
_cell_angle_alpha 59.99980
_cell_angle_beta 59.99966
_cell_angle_gamma 59.99956
_cell_volume 273.42345
_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
Pb1 Pb 0.49999 0.00001 0.50000 1.00000
Pb2 Pb 0.00004 0.49998 0.49999 1.00000
Pb3 Pb 0.50002 0.50002 0.50001 1.00000
Pb4 Pb 0.50000 0.50000 0.99999 1.00000
Rh1 Rh 1.00000 0.49999 1.00000 1.00000
Rh2 Rh 0.49999 1.00000 0.00000 1.00000
Rh3 Rh 0.99999 0.99999 0.50000 1.00000
Rh4 Rh 0.99999 0.99999 0.00000 1.00000
O1 O 0.67103 0.67103 0.07897 1.00000
O2 O 0.07895 0.07895 0.67104 1.00000
O3 O 0.67102 0.07896 0.67103 1.00000
O4 O 0.07896 0.67103 0.67104 1.00000
O5 O 0.92103 0.92103 0.32897 1.00000
O6 O 0.32895 0.92103 0.92104 1.00000
O7 O 0.07895 0.67103 0.07896 1.00000
O8 O 0.32896 0.32896 0.92103 1.00000
O9 O 0.92103 0.32895 0.92104 1.00000
O10 O 0.92102 0.32896 0.32896 1.00000
O11 O 0.67103 0.07895 0.07896 1.00000
O12 O 0.32895 0.92103 0.32896 1.00000
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