La2Tl2RuO6
Alexandria ALEXAlex-ID: agm004580792 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_25_spg12
La5(RuO6)2 Tl2O Ru RuO2
2022-06-24 19:27:00.635930
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004580792).
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 agm004580792
data_agm004580792
_cell_length_a 6.06323
_cell_length_b 6.06323
_cell_length_c 6.70095
_cell_angle_alpha 97.12555
_cell_angle_beta 97.12555
_cell_angle_gamma 119.41044
_cell_volume 208.00812
_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
La1 La 0.33624 0.66376 0.50000 1.00000
La2 La 0.66376 0.33624 0.50000 1.00000
Tl1 Tl 0.84230 0.15770 0.00000 1.00000
Tl2 Tl 0.15770 0.84230 0.00000 1.00000
Ru1 Ru 0.00000 0.00000 0.50000 1.00000
O1 O 0.77099 0.77099 0.68666 1.00000
O2 O 0.04188 0.33731 0.65937 1.00000
O3 O 0.22901 0.22901 0.31334 1.00000
O4 O 0.33731 0.04188 0.65937 1.00000
O5 O 0.95812 0.66269 0.34063 1.00000
O6 O 0.66269 0.95812 0.34063 1.00000
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