Tb2SnHRh6
Alexandria ALEXAlex-ID: agm004929005 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_455_spg166
TbH3Rh TbSn2Rh3 SnHRh3 TbRh3
2022-07-23 19:42:48.873603
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004929005).
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 agm004929005
data_agm004929005
_cell_length_a 5.64452
_cell_length_b 6.98297
_cell_length_c 6.98291
_cell_angle_alpha 47.48713
_cell_angle_beta 66.36582
_cell_angle_gamma 90.02568
_cell_volume 170.19970
_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 0.73258 0.27512 0.54233 1.00000
Tb2 Tb 0.26743 0.72489 0.45767 1.00000
Sn1 Sn 1.00000 1.00000 0.00000 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.28081 0.22568 0.44818 1.00000
Rh2 Rh 0.78942 0.72611 0.93756 1.00000
Rh3 Rh 0.28128 0.72848 0.94637 1.00000
Rh4 Rh 0.71872 0.27152 0.05363 1.00000
Rh5 Rh 0.21058 0.27389 0.06245 1.00000
Rh6 Rh 0.71919 0.77431 0.55182 1.00000
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