Tb3NdRh3
Alexandria ALEXAlex-ID: agm003545753 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_300_spg148
Tb3Rh2 Nd5Rh3 TbRh
2022-04-04 05:20:48.238630
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545753).
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 agm003545753
data_agm003545753
_cell_length_a 8.61707
_cell_length_b 8.61707
_cell_length_c 7.40444
_cell_angle_alpha 54.41674
_cell_angle_beta 54.41674
_cell_angle_gamma 60.00000
_cell_volume 352.65373
_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 0.35786 0.82758 0.69890 1.00000
Tb2 Tb 0.82758 0.11566 0.69890 1.00000
Tb3 Tb 0.11566 0.35786 0.69890 1.00000
Tb4 Tb 0.88434 0.64214 0.30110 1.00000
Tb5 Tb 0.17242 0.88434 0.30110 1.00000
Tb6 Tb 0.64214 0.17242 0.30110 1.00000
Nd1 Nd 0.32646 0.32646 0.02063 1.00000
Nd2 Nd 0.67354 0.67354 0.97937 1.00000
Rh1 Rh 0.30002 0.56625 0.19109 1.00000
Rh2 Rh 0.94263 0.30002 0.19109 1.00000
Rh3 Rh 0.56625 0.94263 0.19109 1.00000
Rh4 Rh 0.43375 0.05737 0.80891 1.00000
Rh5 Rh 0.05737 0.69998 0.80891 1.00000
Rh6 Rh 0.69998 0.43375 0.80891 1.00000
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