Tb(B2Rh3)2
Alexandria ALEXAlex-ID: agm003661784 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_23_spg121
B4Rh5 Tb2(B2Rh3)3 TbBRh3
2022-04-08 10:26:12.555249
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661784).
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 agm003661784
data_agm003661784
_cell_length_a 5.77145
_cell_length_b 5.77145
_cell_length_c 5.77145
_cell_angle_alpha 88.65054
_cell_angle_beta 120.78215
_cell_angle_gamma 120.78215
_cell_volume 134.28986
_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
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
B1 B 0.00000 0.27870 0.57673 1.00000
B2 B 0.70197 0.42327 0.42327 1.00000
B3 B 0.00000 0.57673 0.27870 1.00000
B4 B 0.29803 0.72130 0.72130 1.00000
Rh1 Rh 1.00000 0.89498 0.52819 1.00000
Rh2 Rh 1.00000 0.52819 0.89498 1.00000
Rh3 Rh 0.63322 0.10502 0.10502 1.00000
Rh4 Rh 0.50000 0.00000 0.50000 1.00000
Rh5 Rh 0.36678 0.47181 0.47181 1.00000
Rh6 Rh 0.50000 0.50000 0.00000 1.00000
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