BaTb2RhO5
Alexandria ALEXAlex-ID: agm005177972 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_208_spg71
Ba3TbRhO6 Ba9(RhO3)8 Tb2O3 Rh
2023-01-17 15:19:17.267272
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005177972).
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 agm005177972
data_agm005177972
_cell_length_a 3.91893
_cell_length_b 5.81562
_cell_length_c 6.84665
_cell_angle_alpha 115.13204
_cell_angle_beta 106.63019
_cell_angle_gamma 90.00000
_cell_volume 134.02532
_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 0.00000 0.50000 0.00000 1.00000
Tb1 Tb 0.20344 0.20344 0.40688 1.00000
Tb2 Tb 0.79656 0.79656 0.59312 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
O1 O 0.65534 0.91463 0.31068 1.00000
O2 O 0.34466 0.08537 0.68932 1.00000
O3 O 0.34466 0.60395 0.68932 1.00000
O4 O 0.65534 0.39605 0.31068 1.00000
O5 O 0.00000 0.00000 0.00000 1.00000
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