Rb2Ti4Mn2O13
Alexandria ALEXAlex-ID: agm009230146 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C4D13_4_spg12
Rb3Mn16O32 RbMn3O6 RbO4 Rb2Ti6O13
2024-05-10 08:40:55.264640
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009230146).
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 agm009230146
data_agm009230146
_cell_length_a 8.11514
_cell_length_b 8.11514
_cell_length_c 9.12456
_cell_angle_alpha 81.37938
_cell_angle_beta 81.37938
_cell_angle_gamma 27.58563
_cell_volume 274.92778
_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 0.45363 0.45363 0.24968 1.00000
Rb2 Rb 0.54637 0.54637 0.75032 1.00000
Ti1 Ti 0.17024 0.17024 0.07061 1.00000
Ti2 Ti 0.11912 0.11912 0.41950 1.00000
Ti3 Ti 0.82976 0.82976 0.92939 1.00000
Ti4 Ti 0.88088 0.88088 0.58050 1.00000
Mn1 Mn 0.23799 0.23799 0.73670 1.00000
Mn2 Mn 0.76201 0.76201 0.26330 1.00000
O1 O 0.35308 0.35308 0.61422 1.00000
O2 O 0.64692 0.64692 0.38578 1.00000
O3 O 0.00000 0.00000 0.50000 1.00000
O4 O 0.29592 0.29592 0.91768 1.00000
O5 O 0.70408 0.70408 0.08232 1.00000
O6 O 0.83107 0.83107 0.41170 1.00000
O7 O 0.16893 0.16893 0.58830 1.00000
O8 O 0.92078 0.92078 0.79117 1.00000
O9 O 0.23993 0.23993 0.25803 1.00000
O10 O 0.76007 0.76007 0.74197 1.00000
O11 O 0.07922 0.07922 0.20883 1.00000
O12 O 0.86211 0.86211 0.11451 1.00000
O13 O 0.13789 0.13789 0.88549 1.00000
