Tl2Ru(CO3)2
Alexandria ALEXAlex-ID: agm004576752 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_319_spg12
RuO2 Tl2CO3 Ru CO2
2022-06-23 10:07:58.805571
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004576752).
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 agm004576752
data_agm004576752
_cell_length_a 5.16196
_cell_length_b 6.47670
_cell_length_c 6.38098
_cell_angle_alpha 111.07532
_cell_angle_beta 90.00000
_cell_angle_gamma 113.48460
_cell_volume 179.99551
_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 0.69225 0.38449 0.21834 1.00000
Tl2 Tl 0.30775 0.61551 0.78166 1.00000
Ru1 Ru 0.50000 0.00000 0.50000 1.00000
C1 C 0.99630 0.99260 0.72209 1.00000
C2 C 0.00370 0.00740 0.27791 1.00000
O1 O 0.88466 0.76932 0.69133 1.00000
O2 O 0.15693 0.88036 0.25691 1.00000
O3 O 0.27657 0.11964 0.74309 1.00000
O4 O 0.84307 0.11964 0.74309 1.00000
O5 O 0.72343 0.88036 0.25691 1.00000
O6 O 0.11534 0.23068 0.30867 1.00000
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