Tb10Ir3Rh2Au
High-Entropy Materials HEAMP-ID: mp-3292645 · Space group: Pc (#7)
Basic Information
Formula
Tb10Ir3Rh2Au
MP-ID
mp-3292645
Elements
4
Sites
32
Density
11.0833
g/cm³
Volume
769.70
ų
Cell a
10.9943
Å
Cell b
10.9547
Å
Cell c
6.3908
Å
α Angle
90.00
°
β Angle
89.94
°
γ Angle
90.00
°
Space Group
Pc
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 |
|---|---|---|---|
| 11.40 | 7.7601 | 3.5 | (1,1,0) |
| 22.82 | 3.8969 | 23.5 | (2,1,1) |
| 22.84 | 3.8934 | 28.3 | (2,1,-1) |
| 22.86 | 3.8908 | 25.8 | (1,2,1) |
| 22.87 | 3.8890 | 26.3 | (1,2,-1) |
| 22.92 | 3.8800 | 6.0 | (2,2,0) |
| 25.63 | 3.4754 | 1.2 | (3,1,0) |
| 25.71 | 3.4654 | 1.7 | (1,3,0) |
| 27.92 | 3.1954 | 7.9 | (0,0,2) |
| 29.09 | 3.0693 | 18.5 | (1,0,2) |
| 29.11 | 3.0676 | 30.1 | (0,1,2) |
| 29.11 | 3.0676 | 11.7 | (1,0,-2) |
| 29.24 | 3.0545 | 35.2 | (3,1,1) |
| 29.26 | 3.0519 | 60.9 | (3,1,-1) |
| 29.31 | 3.0468 | 42.4 | (1,3,1) |
| 29.32 | 3.0459 | 52.2 | (1,3,-1) |
| 32.39 | 2.7639 | 14.9 | (2,0,2) |
| 32.42 | 2.7613 | 16.0 | (2,0,-2) |
| 32.44 | 2.7601 | 30.7 | (0,2,2) |
| 32.55 | 2.7505 | 46.8 | (3,2,1) |
| 32.58 | 2.7486 | 30.2 | (3,2,-1) |
| 32.60 | 2.7471 | 47.1 | (2,3,1) |
| 32.61 | 2.7458 | 32.0 | (2,3,-1) |
| 33.44 | 2.6799 | 31.7 | (2,1,2) |
Energy Properties
Formation Energy/atom
-0.85170
eV/atom
Energy/atom
-36.36418
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-36.3642
eV/atom
Volume/atom
24.05
ų
c/a Ratio
0.5813
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0239
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
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
1.0408
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6535
J/mol·K
Ω Parameter
8.3955
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.626%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5776
smaller = more stable mixing
VEC
9.125
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.953
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7508
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292645
Reference Citation
The crystal structure and related material properties of Tb10Ir3Rh2Au were obtained from the Materials Project database (MP-ID: mp-3292645, 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_Tb10Ir3Rh2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.99425449
_cell_length_b 10.95466881
_cell_length_c 6.39081085
_cell_angle_alpha 90.00000000
_cell_angle_beta 89.93925873
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb10Ir3Rh2Au
_chemical_formula_sum 'Tb20 Ir6 Rh4 Au2'
_cell_volume 769.69870844
_cell_formula_units_Z 2
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 0.28981486 0.09035695 0.38234804 1.0
Tb Tb1 1 0.28981486 0.90964305 0.88234804 1.0
Tb Tb2 1 0.69735399 0.09416706 0.87339354 1.0
Tb Tb3 1 0.69735399 0.90583294 0.37339354 1.0
Tb Tb4 1 0.57934567 0.78943463 0.88790699 1.0
Tb Tb5 1 0.57934567 0.21056537 0.38790699 1.0
Tb Tb6 1 0.40459220 0.79122113 0.38585563 1.0
Tb Tb7 1 0.40459220 0.20877887 0.88585563 1.0
Tb Tb8 1 0.21213780 0.40972593 0.61166853 1.0
Tb Tb9 1 0.21213780 0.59027407 0.11166853 1.0
Tb Tb10 1 0.79149805 0.41682400 0.11378476 1.0
Tb Tb11 1 0.79149805 0.58317600 0.61378476 1.0
Tb Tb12 1 0.91654412 0.70508849 0.12892485 1.0
Tb Tb13 1 0.91654412 0.29491151 0.62892485 1.0
Tb Tb14 1 0.09753676 0.70394288 0.61603633 1.0
Tb Tb15 1 0.09753676 0.29605712 0.11603633 1.0
Tb Tb16 1 0.00658920 0.99775399 0.50094952 1.0
Tb Tb17 1 0.00658920 0.00224601 0.00094952 1.0
Tb Tb18 1 0.50136751 0.49698749 0.99935098 1.0
Tb Tb19 1 0.50136751 0.50301251 0.49935098 1.0
Ir Ir20 1 0.15236142 0.15496767 0.74998031 1.0
Ir Ir21 1 0.15236142 0.84503233 0.24998031 1.0
Ir Ir22 1 0.65876076 0.34717280 0.74622943 1.0
Ir Ir23 1 0.65876076 0.65282720 0.24622943 1.0
Ir Ir24 1 0.34840056 0.34512924 0.25152917 1.0
Ir Ir25 1 0.34840056 0.65487076 0.75152917 1.0
Rh Rh26 1 0.49901251 0.99973336 0.12631162 1.0
Rh Rh27 1 0.49901251 0.00026664 0.62631162 1.0
Rh Rh28 1 0.00174968 0.50041296 0.87418975 1.0
Rh Rh29 1 0.00174968 0.49958704 0.37418975 1.0
Au Au30 1 0.84293493 0.15433126 0.25154156 1.0
Au Au31 1 0.84293493 0.84566874 0.75154156 1.0
