AcTl2RuO8
Alexandria ALEXAlex-ID: agm004890971 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_313_spg2
Ac2RuO6 RuO4 Tl2O3
2023-01-06 03:37:24.788142
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004890971).
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 agm004890971
data_agm004890971
_cell_length_a 4.96335
_cell_length_b 5.34494
_cell_length_c 7.00461
_cell_angle_alpha 81.79440
_cell_angle_beta 88.39910
_cell_angle_gamma 92.05968
_cell_volume 183.69980
_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
Ac1 Ac 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.48157 0.45072 0.75394 1.00000
Tl2 Tl 0.51843 0.54928 0.24606 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
O1 O 0.11735 0.77451 0.22008 1.00000
O2 O 0.67886 0.76789 0.99106 1.00000
O3 O 0.83105 0.17722 0.17216 1.00000
O4 O 0.88265 0.22549 0.77992 1.00000
O5 O 0.32114 0.23211 0.00894 1.00000
O6 O 0.16895 0.82278 0.82784 1.00000
O7 O 0.58571 0.74023 0.52606 1.00000
O8 O 0.41429 0.25977 0.47394 1.00000
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