Tl2Ru(PbO3)2
Alexandria ALEXAlex-ID: agm004580787 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_25_spg12
Tl4O3 Tl15PbO24 Ru4Pb4O13 PbO
2022-06-24 19:20:21.735043
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004580787).
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 agm004580787
data_agm004580787
_cell_length_a 5.99340
_cell_length_b 5.99340
_cell_length_c 6.56846
_cell_angle_alpha 97.61130
_cell_angle_beta 97.61130
_cell_angle_gamma 118.67525
_cell_volume 199.90336
_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
Tl1 Tl 0.83624 0.16376 0.00000 1.00000
Tl2 Tl 0.16376 0.83624 0.00000 1.00000
Ru1 Ru 0.00000 0.00000 0.50000 1.00000
Pb1 Pb 0.33539 0.66461 0.50000 1.00000
Pb2 Pb 0.66461 0.33539 0.50000 1.00000
O1 O 0.78989 0.78989 0.68877 1.00000
O2 O 0.04801 0.32812 0.66562 1.00000
O3 O 0.21011 0.21011 0.31123 1.00000
O4 O 0.32812 0.04801 0.66562 1.00000
O5 O 0.95199 0.67188 0.33438 1.00000
O6 O 0.67188 0.95199 0.33438 1.00000
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