Tb20TcBi8Rh3
High-Entropy Materials HEAMP-ID: mp-3296251 · Space group: Pm (#6)
Basic Information
Formula
Tb20TcBi8Rh3
MP-ID
mp-3296251
Elements
4
Sites
32
Density
9.6798
g/cm³
Volume
901.83
ų
Cell a
8.0579
Å
Cell b
8.9733
Å
Cell c
12.4726
Å
α Angle
90.00
°
β Angle
90.13
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.07 | 6.7755 | 1.2 | (1,0,-1) |
| 13.09 | 6.7611 | 1.4 | (1,0,1) |
| 14.78 | 5.9954 | 1.2 | (1,-1,0) |
| 14.78 | 5.9954 | 1.2 | (1,1,0) |
| 17.97 | 4.9374 | 2.8 | (1,0,-2) |
| 18.01 | 4.9262 | 2.8 | (1,0,2) |
| 19.79 | 4.4866 | 4.7 | (0,2,0) |
| 22.06 | 4.0289 | 15.2 | (2,0,0) |
| 23.18 | 3.8365 | 2.6 | (2,0,-1) |
| 23.22 | 3.8313 | 3.1 | (2,0,1) |
| 23.79 | 3.7408 | 1.5 | (1,-2,-1) |
| 23.79 | 3.7408 | 1.5 | (1,2,-1) |
| 23.80 | 3.7384 | 1.2 | (1,-2,1) |
| 23.80 | 3.7384 | 1.2 | (1,2,1) |
| 24.06 | 3.6982 | 11.3 | (1,0,-3) |
| 24.11 | 3.6912 | 11.7 | (1,0,3) |
| 25.25 | 3.5276 | 1.3 | (2,-1,-1) |
| 25.25 | 3.5276 | 1.3 | (2,1,-1) |
| 25.28 | 3.5235 | 1.6 | (2,-1,1) |
| 25.28 | 3.5235 | 1.6 | (2,1,1) |
| 26.85 | 3.3205 | 6.8 | (1,-2,-2) |
| 26.85 | 3.3205 | 6.8 | (1,2,-2) |
| 26.88 | 3.3171 | 5.8 | (1,-2,2) |
| 26.88 | 3.3171 | 5.8 | (1,2,2) |
Energy Properties
Formation Energy/atom
-0.79998
eV/atom
Energy/atom
-38.01624
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.0162
eV/atom
Volume/atom
28.18
ų
c/a Ratio
1.5479
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.2739
μB
Mag. Ordering
FM
Mag. Sites
6
Magnetization/Volume
0.001410
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tb · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9705
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.0691
J/mol·K
Ω Parameter
5.9843
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.200%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4780
smaller = more stable mixing
VEC
7.875
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
1.942
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7001
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296251
Reference Citation
The crystal structure and related material properties of Tb20TcBi8Rh3 were obtained from the Materials Project database (MP-ID: mp-3296251, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Tb20TcBi8Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05787398
_cell_length_b 8.97326138
_cell_length_c 12.47257947
_cell_angle_alpha 90.00001714
_cell_angle_beta 90.13388824
_cell_angle_gamma 90.00008741
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb20TcBi8Rh3
_chemical_formula_sum 'Tb20 Tc1 Bi8 Rh3'
_cell_volume 901.83250307
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tb Tb0 1 0.83739419 0.74999900 0.78968162 1.0
Tb Tb1 1 0.15881766 0.25000000 0.20547435 1.0
Tb Tb2 1 0.34365284 0.25000000 0.70432924 1.0
Tb Tb3 1 0.65471281 0.75000000 0.29755506 1.0
Tb Tb4 1 0.37844781 0.75000000 0.69490547 1.0
Tb Tb5 1 0.62317862 0.25000000 0.30533056 1.0
Tb Tb6 1 0.87535863 0.24999900 0.80542167 1.0
Tb Tb7 1 0.12246944 0.75000100 0.19365589 1.0
Tb Tb8 1 0.95053627 0.75000000 0.50237014 1.0
Tb Tb9 1 0.05149055 0.25000000 0.49730810 1.0
Tb Tb10 1 0.45187741 0.25000100 0.99901213 1.0
Tb Tb11 1 0.55100403 0.75000000 0.00213917 1.0
Tb Tb12 1 0.67650153 0.03781552 0.56394483 1.0
Tb Tb13 1 0.32339273 0.95810427 0.43637446 1.0
Tb Tb14 1 0.17606741 0.95975236 0.93450224 1.0
Tb Tb15 1 0.32339273 0.54189673 0.43637546 1.0
Tb Tb16 1 0.82302409 0.04182647 0.06520259 1.0
Tb Tb17 1 0.67650353 0.46218348 0.56394483 1.0
Tb Tb18 1 0.82302209 0.45817653 0.06520359 1.0
Tb Tb19 1 0.17606641 0.54024664 0.93450124 1.0
Tc Tc20 1 0.57605630 0.75000000 0.51445292 1.0
Bi Bi21 1 0.56914025 0.49018921 0.82839622 1.0
Bi Bi22 1 0.43005566 0.50959326 0.17264582 1.0
Bi Bi23 1 0.06964518 0.50809534 0.67328740 1.0
Bi Bi24 1 0.43005866 0.99040874 0.17264582 1.0
Bi Bi25 1 0.93076611 0.49062699 0.32675690 1.0
Bi Bi26 1 0.56913925 0.00981079 0.82839722 1.0
Bi Bi27 1 0.93076811 0.00937301 0.32675590 1.0
Bi Bi28 1 0.06964718 0.99190466 0.67328740 1.0
Rh Rh29 1 0.42825489 0.24999800 0.48887475 1.0
Rh Rh30 1 0.06854733 0.25000200 0.98956682 1.0
Rh Rh31 1 0.93101329 0.74999800 0.00769617 1.0
