Tb2B5Rh3
Alexandria ALEXAlex-ID: agm002255010 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_12_spg5
TbB4 TbBRh3
2023-03-24 07:59:47.966808
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002255010).
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 agm002255010
data_agm002255010
_cell_length_a 3.98613
_cell_length_b 5.56621
_cell_length_c 6.98501
_cell_angle_alpha 83.13677
_cell_angle_beta 73.43431
_cell_angle_gamma 68.90942
_cell_volume 138.57256
_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
Rh1 Rh 0.04232 0.99904 0.99978 1.00000
Rh2 Rh 0.60071 0.85169 0.41398 1.00000
Rh3 Rh 0.86553 0.14897 0.58644 1.00000
B1 B 0.72190 0.50016 0.49997 1.00000
B2 B 0.53735 0.09004 0.89058 1.00000
B3 B 0.51810 0.91064 0.10937 1.00000
B4 B 0.10585 0.95778 0.30242 1.00000
B5 B 0.36668 0.04142 0.69762 1.00000
Tb1 Tb 0.37853 0.41307 0.23716 1.00000
Tb2 Tb 0.02942 0.58690 0.76263 1.00000
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