Tb15Rh32
Alexandria ALEXAlex-ID: agm007755548 · Space group: F-43m (#216)
Basic Information
Formula
Tb15Rh32
Alex-ID
agm007755548
Elements
2
Sites
47
Space group
F-43m (#216)
Crystal system
cubic
Volume
861.36
ų
Cell a
10.6799
Å
Cell b
10.6799
Å
Cell c
10.6799
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Tb15Rh32
Tb
15.00 · 31.9%
Rh
32.00 · 68.1%
Energy & Stability
Energy above hull
0.0093
eV/atom
Formation energy
-0.7073
eV/atom
Corrected total energy
-337.9737
eV
Raw total energy
-337.9737
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
25.1624
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A15B32_1_spg216
Decomposition
TbRh3 TbRh2
Computed at
2025-03-23 07:39:32
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007755548).
Reference
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
BibTeX
@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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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm007755548
data_agm007755548
_cell_length_a 10.67987
_cell_length_b 10.67987
_cell_length_c 10.67987
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 861.35619
_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 0.75000 0.75000 0.75000 1.00000
Tb2 Tb 0.92940 0.35687 0.35687 1.00000
Tb3 Tb 0.35687 0.35687 0.92940 1.00000
Tb4 Tb 0.35687 0.92940 0.35687 1.00000
Tb5 Tb 0.35687 0.35687 0.35687 1.00000
Tb6 Tb 0.37261 0.87580 0.87580 1.00000
Tb7 Tb 0.87580 0.87580 0.37261 1.00000
Tb8 Tb 0.87580 0.37261 0.87580 1.00000
Tb9 Tb 0.87580 0.87580 0.87580 1.00000
Tb10 Tb 0.74309 0.25691 0.25691 1.00000
Tb11 Tb 0.74309 0.74309 0.25691 1.00000
Tb12 Tb 0.74309 0.25691 0.74309 1.00000
Tb13 Tb 0.25691 0.74309 0.74309 1.00000
Tb14 Tb 0.25691 0.25691 0.74309 1.00000
Tb15 Tb 0.25691 0.74309 0.25691 1.00000
Rh1 Rh 0.31408 0.56197 0.56197 1.00000
Rh2 Rh 0.56197 0.56197 0.31408 1.00000
Rh3 Rh 0.56197 0.31408 0.56197 1.00000
Rh4 Rh 0.56197 0.56197 0.56197 1.00000
Rh5 Rh 0.81451 0.06183 0.06183 1.00000
Rh6 Rh 0.06183 0.06183 0.81451 1.00000
Rh7 Rh 0.06183 0.81451 0.06183 1.00000
Rh8 Rh 0.06183 0.06183 0.06183 1.00000
Rh9 Rh 0.31133 0.05975 0.56918 1.00000
Rh10 Rh 0.31133 0.05975 0.05975 1.00000
Rh11 Rh 0.31133 0.56918 0.05975 1.00000
Rh12 Rh 0.56918 0.05975 0.31133 1.00000
Rh13 Rh 0.05975 0.56918 0.31133 1.00000
Rh14 Rh 0.05975 0.05975 0.31133 1.00000
Rh15 Rh 0.05975 0.31133 0.05975 1.00000
Rh16 Rh 0.05975 0.31133 0.56918 1.00000
Rh17 Rh 0.56918 0.31133 0.05975 1.00000
Rh18 Rh 0.05975 0.56918 0.05975 1.00000
Rh19 Rh 0.56918 0.05975 0.05975 1.00000
Rh20 Rh 0.05975 0.05975 0.56918 1.00000
Rh21 Rh 0.81194 0.56253 0.06300 1.00000
Rh22 Rh 0.81194 0.56253 0.56253 1.00000
Rh23 Rh 0.81194 0.06300 0.56253 1.00000
Rh24 Rh 0.06300 0.56253 0.81194 1.00000
Rh25 Rh 0.56253 0.06300 0.81194 1.00000
Rh26 Rh 0.56253 0.56253 0.81194 1.00000
Rh27 Rh 0.56253 0.81194 0.56253 1.00000
Rh28 Rh 0.56253 0.81194 0.06300 1.00000
Rh29 Rh 0.06300 0.81194 0.56253 1.00000
Rh30 Rh 0.56253 0.06300 0.56253 1.00000
Rh31 Rh 0.06300 0.56253 0.56253 1.00000
Rh32 Rh 0.56253 0.56253 0.06300 1.00000
