Ba3YTi2(RhO6)2
Alexandria ALEXAlex-ID: agm010835101 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_32_spg1
BaTiO3 Ba9(RhO3)8 Ba3Y2Ti3O12 Ba3(RhO2)16 Rh
2024-04-23 02:10:24.052285
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010835101).
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 agm010835101
data_agm010835101
_cell_length_a 5.69439
_cell_length_b 5.74349
_cell_length_c 7.99081
_cell_angle_alpha 90.18695
_cell_angle_beta 90.20168
_cell_angle_gamma 90.44431
_cell_volume 261.33438
_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
Ba1 Ba 0.50556 0.49561 0.75159 1.00000
Ba2 Ba 0.99888 0.00630 0.75031 1.00000
Ba3 Ba 0.49463 0.50431 0.25014 1.00000
Y1 Y 0.95741 0.07907 0.24873 1.00000
Ti1 Ti 0.00072 0.52185 0.50184 1.00000
Ti2 Ti 0.49248 0.98830 0.00017 1.00000
Rh1 Rh 0.00185 0.50097 0.00149 1.00000
Rh2 Rh 0.49976 0.99657 0.49656 1.00000
O1 O 0.22740 0.22059 0.46691 1.00000
O2 O 0.26116 0.75082 0.00758 1.00000
O3 O 0.76000 0.76229 0.99753 1.00000
O4 O 0.75711 0.24497 0.48610 1.00000
O5 O 0.76445 0.74957 0.50370 1.00000
O6 O 0.75234 0.24477 0.01239 1.00000
O7 O 0.23548 0.22397 0.02903 1.00000
O8 O 0.25172 0.73438 0.49519 1.00000
O9 O 0.48930 0.00999 0.75799 1.00000
O10 O 0.01202 0.49006 0.74221 1.00000
O11 O 0.55102 0.99261 0.24760 1.00000
O12 O 0.98668 0.48298 0.25294 1.00000
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