RbTi2O6
Alexandria ALEXAlex-ID: agm097129462 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_909_spg71
Rb2Ti6O13 TiO2 RbO4
2025-04-08 14:20:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097129462).
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
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# CIF generated by HEAS from Alexandria entry agm097129462
data_agm097129462
_cell_length_a 3.32349
_cell_length_b 5.20739
_cell_length_c 9.11803
_cell_angle_alpha 102.75004
_cell_angle_beta 90.09757
_cell_angle_gamma 89.97792
_cell_volume 153.91158
_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
Rb1 Rb 0.61295 0.79596 0.25768 1.00000
Ti1 Ti 0.11093 0.26231 0.90436 1.00000
Ti2 Ti 0.10974 0.65782 0.65293 1.00000
O1 O 0.61121 0.40575 0.97092 1.00000
O2 O 0.60929 0.68552 0.55903 1.00000
O3 O 0.11222 0.12386 0.11675 1.00000
O4 O 0.11009 0.35598 0.71404 1.00000
O5 O 0.11319 0.30550 0.24693 1.00000
O6 O 0.11037 0.90725 0.82735 1.00000
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