TlHg(RuO4)2
Alexandria ALEXAlex-ID: agm004873751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_328_spg12
Tl8Ru8O27 RuO4 HgO RuO2
2023-01-06 03:17:56.144859
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004873751).
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 agm004873751
data_agm004873751
_cell_length_a 5.99484
_cell_length_b 6.29887
_cell_length_c 7.68469
_cell_angle_alpha 57.44194
_cell_angle_beta 67.04233
_cell_angle_gamma 61.58421
_cell_volume 211.56811
_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 0.50000 0.50000 0.50000 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.28665 0.23612 0.19059 1.00000
Ru2 Ru 0.71335 0.76388 0.80941 1.00000
O1 O 0.88237 0.50778 0.72748 1.00000
O2 O 0.65319 0.60746 0.08616 1.00000
O3 O 0.11763 0.49222 0.27252 1.00000
O4 O 0.34681 0.39254 0.91384 1.00000
O5 O 0.59211 0.02916 0.26416 1.00000
O6 O 0.40789 0.97084 0.73584 1.00000
O7 O 0.11457 0.02916 0.26416 1.00000
O8 O 0.88543 0.97084 0.73584 1.00000
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