TbH8Rh3
Alexandria ALEXAlex-ID: agm006494635 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_552_spg2
TbH6Rh TbH5Rh2 H8Rh3
2024-03-04 03:04:24.048716
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006494635).
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 agm006494635
data_agm006494635
_cell_length_a 4.50809
_cell_length_b 4.51323
_cell_length_c 5.85440
_cell_angle_alpha 90.03969
_cell_angle_beta 90.00292
_cell_angle_gamma 119.98456
_cell_volume 103.17177
_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 0.50000 1.00000
H1 H 0.93370 0.64171 0.17126 1.00000
H2 H 0.70746 0.06572 0.17146 1.00000
H3 H 0.35874 0.29238 0.17132 1.00000
H4 H 0.06630 0.35829 0.82874 1.00000
H5 H 0.29254 0.93428 0.82854 1.00000
H6 H 0.64126 0.70762 0.82868 1.00000
H7 H 0.66700 0.33356 0.54977 1.00000
H8 H 0.33300 0.66644 0.45023 1.00000
Rh1 Rh 0.66685 0.33367 0.82778 1.00000
Rh2 Rh 0.33315 0.66633 0.17222 1.00000
Rh3 Rh 0.00000 0.00000 0.00000 1.00000
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