HgRh3(PbO4)2
Alexandria ALEXAlex-ID: agm004670554 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_187_spg160
Rh2Pb2O7 Rh4Pb4O13 Rh3PbO6 Hg
2022-06-22 20:20:34.918671
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004670554).
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 agm004670554
data_agm004670554
_cell_length_a 6.35475
_cell_length_b 6.35475
_cell_length_c 6.89319
_cell_angle_alpha 62.55197
_cell_angle_beta 62.55197
_cell_angle_gamma 60.00000
_cell_volume 204.08867
_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
Hg1 Hg 0.86642 0.86642 0.40075 1.00000
Rh1 Rh 0.49934 0.99962 0.00171 1.00000
Rh2 Rh 0.99962 0.49934 0.00171 1.00000
Rh3 Rh 0.49934 0.49934 0.00171 1.00000
Pb1 Pb 0.12387 0.12387 0.62839 1.00000
Pb2 Pb 0.50240 0.50240 0.49279 1.00000
O1 O 0.27546 0.27546 0.17363 1.00000
O2 O 0.72309 0.72309 0.83073 1.00000
O3 O 0.24896 0.24896 0.81125 1.00000
O4 O 0.69083 0.24896 0.81125 1.00000
O5 O 0.24896 0.69083 0.81125 1.00000
O6 O 0.75198 0.31044 0.18560 1.00000
O7 O 0.31044 0.75198 0.18560 1.00000
O8 O 0.75198 0.75198 0.18560 1.00000
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