Tb2HfRh3
Alexandria ALEXAlex-ID: agm017478261 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4717_spg14
Tb2HfRh3
2025-04-14 08:21:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017478261).
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 agm017478261
data_agm017478261
_cell_length_a 5.91089
_cell_length_b 14.12867
_cell_length_c 6.91650
_cell_angle_alpha 90.00000
_cell_angle_beta 126.30338
_cell_angle_gamma 90.00000
_cell_volume 465.49829
_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 0.74653 0.25295 0.37442 1.00000
Tb2 Tb 0.74653 0.24705 0.87442 1.00000
Tb3 Tb 0.75038 0.58204 0.37243 1.00000
Tb4 Tb 0.75038 0.91796 0.87243 1.00000
Tb5 Tb 0.24962 0.08204 0.12757 1.00000
Tb6 Tb 0.24962 0.41796 0.62757 1.00000
Tb7 Tb 0.25347 0.75295 0.12558 1.00000
Tb8 Tb 0.25347 0.74705 0.62558 1.00000
Hf1 Hf 0.75821 0.91672 0.37644 1.00000
Hf2 Hf 0.75821 0.58328 0.87644 1.00000
Hf3 Hf 0.24179 0.41672 0.12356 1.00000
Hf4 Hf 0.24179 0.08328 0.62356 1.00000
Rh1 Rh 0.74332 0.42204 0.63498 1.00000
Rh2 Rh 0.74332 0.07796 0.13498 1.00000
Rh3 Rh 0.76355 0.07555 0.60888 1.00000
Rh4 Rh 0.76355 0.42445 0.10888 1.00000
Rh5 Rh 0.75387 0.75198 0.62159 1.00000
Rh6 Rh 0.75387 0.74802 0.12159 1.00000
Rh7 Rh 0.24613 0.25198 0.87841 1.00000
Rh8 Rh 0.24613 0.24802 0.37841 1.00000
Rh9 Rh 0.23645 0.57555 0.89112 1.00000
Rh10 Rh 0.23645 0.92445 0.39112 1.00000
Rh11 Rh 0.25668 0.92204 0.86502 1.00000
Rh12 Rh 0.25668 0.57796 0.36502 1.00000
