Tb10IrPtRh4
High-Entropy Materials HEAMP-ID: mp-3292766 · Space group: P1 (#1)
Basic Information
Formula
Tb10IrPtRh4
MP-ID
mp-3292766
Elements
4
Sites
32
Density
10.4377
g/cm³
Volume
759.88
ų
Cell a
10.9395
Å
Cell b
10.9219
Å
Cell c
6.3599
Å
α Angle
90.02
°
β Angle
90.02
°
γ Angle
90.11
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 8.08 | 10.9395 | 8.2 | (1,0,0) |
| 8.10 | 10.9219 | 3.3 | (0,1,0) |
| 11.44 | 7.7367 | 11.5 | (1,-1,0) |
| 11.46 | 7.7216 | 1.6 | (1,1,0) |
| 16.12 | 5.4991 | 3.6 | (1,0,-1) |
| 16.12 | 5.4973 | 1.5 | (1,0,1) |
| 16.12 | 5.4969 | 8.0 | (0,1,-1) |
| 16.13 | 5.4951 | 2.5 | (0,1,1) |
| 16.20 | 5.4697 | 11.2 | (2,0,0) |
| 16.23 | 5.4610 | 6.4 | (0,2,0) |
| 18.06 | 4.9130 | 2.0 | (1,-1,-1) |
| 18.06 | 4.9130 | 1.9 | (1,-1,1) |
| 18.07 | 4.9104 | 1.8 | (1,1,-1) |
| 18.14 | 4.8898 | 2.4 | (1,-2,0) |
| 18.15 | 4.8869 | 2.6 | (2,1,0) |
| 21.43 | 4.1462 | 1.6 | (2,0,1) |
| 21.45 | 4.1424 | 1.7 | (0,2,1) |
| 22.93 | 3.8792 | 11.9 | (2,-1,-1) |
| 22.93 | 3.8785 | 10.1 | (2,-1,1) |
| 22.94 | 3.8768 | 5.9 | (1,-2,1) |
| 22.94 | 3.8762 | 6.8 | (1,-2,-1) |
| 22.95 | 3.8760 | 4.8 | (2,1,-1) |
| 22.96 | 3.8741 | 5.5 | (2,1,1) |
| 22.96 | 3.8736 | 9.7 | (1,2,-1) |
Energy Properties
Formation Energy/atom
-0.86835
eV/atom
Energy/atom
-32.90937
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-32.9094
eV/atom
Volume/atom
23.75
ų
c/a Ratio
0.5814
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.1364
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000180
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
0.9869
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2051
J/mol·K
Ω Parameter
7.8816
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.069%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5651
smaller = more stable mixing
VEC
9.063
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.953
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7119
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292766
Reference Citation
The crystal structure and related material properties of Tb10IrPtRh4 were obtained from the Materials Project database (MP-ID: mp-3292766, 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_Tb10IrPtRh4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.93949793
_cell_length_b 10.92193251
_cell_length_c 6.35984513
_cell_angle_alpha 90.02147454
_cell_angle_beta 90.02170024
_cell_angle_gamma 90.11202262
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb10IrPtRh4
_chemical_formula_sum 'Tb20 Ir2 Pt2 Rh8'
_cell_volume 759.87564888
_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 0.29045642 0.08924681 0.38405053 1.0
Tb Tb1 1 0.29138614 0.90729142 0.88342327 1.0
Tb Tb2 1 0.70437520 0.08943344 0.88217918 1.0
Tb Tb3 1 0.70434979 0.91065239 0.38204496 1.0
Tb Tb4 1 0.58486789 0.79024752 0.88738803 1.0
Tb Tb5 1 0.58632706 0.20849022 0.38747456 1.0
Tb Tb6 1 0.40890635 0.79054042 0.38724545 1.0
Tb Tb7 1 0.40759467 0.20807236 0.88401202 1.0
Tb Tb8 1 0.20942505 0.41288890 0.61130826 1.0
Tb Tb9 1 0.20994002 0.59150602 0.11496189 1.0
Tb Tb10 1 0.79265761 0.41048659 0.11479789 1.0
Tb Tb11 1 0.79340004 0.58909326 0.61413770 1.0
Tb Tb12 1 0.91196207 0.70721503 0.11973288 1.0
Tb Tb13 1 0.91279378 0.29402607 0.61670112 1.0
Tb Tb14 1 0.09365094 0.70577459 0.61362183 1.0
Tb Tb15 1 0.09262589 0.29471070 0.11674322 1.0
Tb Tb16 1 0.00226115 0.99882003 0.50005662 1.0
Tb Tb17 1 0.00278963 0.00186584 0.99885572 1.0
Tb Tb18 1 0.50000071 0.49806899 0.00118178 1.0
Tb Tb19 1 0.50120678 0.50111924 0.50048964 1.0
Ir Ir20 1 0.34748236 0.65351439 0.75072311 1.0
Ir Ir21 1 0.00037173 0.50036589 0.36824191 1.0
Pt Pt22 1 0.84435381 0.15159089 0.25059759 1.0
Pt Pt23 1 0.84432602 0.84765337 0.75068343 1.0
Rh Rh24 1 0.15245449 0.15566224 0.74801419 1.0
Rh Rh25 1 0.15361696 0.84856183 0.24948477 1.0
Rh Rh26 1 0.65457415 0.34556709 0.74959711 1.0
Rh Rh27 1 0.65583716 0.65432017 0.24913568 1.0
Rh Rh28 1 0.34906243 0.34192677 0.25187746 1.0
Rh Rh29 1 0.49821747 0.00015487 0.13005913 1.0
Rh Rh30 1 0.49853691 0.00121028 0.62985935 1.0
Rh Rh31 1 0.00019233 0.49992436 0.87131771 1.0
