Tb7HoAlPd24
High-Entropy Materials HEAMP-ID: mp-3292741 · Space group: R3m (#160)
Basic Information
Formula
Tb7HoAlPd24
MP-ID
mp-3292741
Elements
4
Sites
33
Density
11.2503
g/cm³
Volume
569.51
ų
Cell a
8.2890
Å
Cell b
8.2890
Å
Cell c
8.2890
Å
α Angle
89.98
°
β Angle
90.02
°
γ Angle
90.02
°
Space Group
R3m
Point Group
3m
Crystal System
Trigonal
Bravais Lattice
hR
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 20)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.44 | 4.1445 | 3.2 | (2,0,0) |
| 30.50 | 2.9311 | 2.9 | (2,0,-2) |
| 30.51 | 2.9301 | 2.8 | (2,2,0) |
| 37.58 | 2.3937 | 33.3 | (2,-2,-2) |
| 37.59 | 2.3925 | 100.0 | (2,2,2) |
| 43.68 | 2.0722 | 44.2 | (0,4,0) |
| 43.68 | 2.0722 | 22.1 | (4,0,0) |
| 45.10 | 2.0102 | 1.2 | (4,1,0) |
| 49.15 | 1.8537 | 1.4 | (4,0,-2) |
| 49.16 | 1.8532 | 1.4 | (4,2,0) |
| 63.47 | 1.4656 | 20.2 | (4,0,-4) |
| 63.50 | 1.4650 | 20.3 | (4,4,0) |
| 76.16 | 1.2499 | 11.0 | (6,-2,-2) |
| 76.19 | 1.2496 | 18.5 | (6,2,-2) |
| 76.19 | 1.2496 | 3.7 | (6,-2,2) |
| 76.20 | 1.2494 | 3.7 | (2,6,-2) |
| 76.20 | 1.2494 | 7.4 | (6,2,2) |
| 80.20 | 1.1968 | 3.2 | (4,-4,-4) |
| 80.25 | 1.1963 | 3.2 | (4,4,-4) |
| 80.25 | 1.1963 | 6.5 | (4,4,4) |
Energy Properties
Formation Energy/atom
-0.95147
eV/atom
Energy/atom
-25.47418
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.4742
eV/atom
Volume/atom
17.26
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0013
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pd · 0.727
Element Family
4d-TM
Solute Fraction
0.273
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7724
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.4220
J/mol·K
Ω Parameter
2.8425
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.076%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4658
smaller = more stable mixing
VEC
9.606
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.967
kJ/mol; negative = exothermic mixing
Entropy Norm
0.5572
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292741
Reference Citation
The crystal structure and related material properties of Tb7HoAlPd24 were obtained from the Materials Project database (MP-ID: mp-3292741, 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_Tb7HoAlPd24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.28895522
_cell_length_b 8.28895588
_cell_length_c 8.28895553
_cell_angle_alpha 89.97953340
_cell_angle_beta 90.02046995
_cell_angle_gamma 90.02046563
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb7HoAlPd24
_chemical_formula_sum 'Tb7 Ho1 Al1 Pd24'
_cell_volume 569.50736928
_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 0.25135027 0.25167399 0.25167399 1.0
Tb Tb1 1 0.74848022 0.74833513 0.74833513 1.0
Tb Tb2 1 0.74832601 0.74864973 0.25167399 1.0
Tb Tb3 1 0.74832601 0.25167399 0.74864973 1.0
Tb Tb4 1 0.25166487 0.25151978 0.74833513 1.0
Tb Tb5 1 0.25166487 0.74833513 0.25151978 1.0
Tb Tb6 1 0.25165730 0.74834270 0.74834270 1.0
Ho Ho7 1 0.74835399 0.25164601 0.25164601 1.0
Al Al8 1 0.00031922 0.99968078 0.99968078 1.0
Pd Pd9 1 0.25958321 0.49969267 0.99998670 1.0
Pd Pd10 1 0.74028687 0.49957618 0.00095545 1.0
Pd Pd11 1 0.99904455 0.25971313 0.49957618 1.0
Pd Pd12 1 0.50042382 0.25971313 0.00095545 1.0
Pd Pd13 1 0.00001330 0.74041679 0.49969267 1.0
Pd Pd14 1 0.50030733 0.74041679 0.99998670 1.0
Pd Pd15 1 0.50042382 0.00095545 0.25971313 1.0
Pd Pd16 1 0.25958321 0.99998670 0.49969267 1.0
Pd Pd17 1 0.50030733 0.99998670 0.74041679 1.0
Pd Pd18 1 0.74028687 0.00095545 0.49957618 1.0
Pd Pd19 1 0.99904455 0.49957618 0.25971313 1.0
Pd Pd20 1 0.00001330 0.49969267 0.74041679 1.0
Pd Pd21 1 0.25226347 0.49983460 0.49983460 1.0
Pd Pd22 1 0.74760406 0.49945255 0.49945255 1.0
Pd Pd23 1 0.50054745 0.25239594 0.49945255 1.0
Pd Pd24 1 0.50016540 0.74773653 0.49983460 1.0
Pd Pd25 1 0.50054745 0.49945255 0.25239594 1.0
Pd Pd26 1 0.50016540 0.49983460 0.74773653 1.0
Pd Pd27 1 0.28965645 0.99995240 0.99995240 1.0
Pd Pd28 1 0.71101540 0.00075960 0.00075960 1.0
Pd Pd29 1 0.99924040 0.28898460 0.00075960 1.0
Pd Pd30 1 0.00004760 0.71034355 0.99995240 1.0
Pd Pd31 1 0.99924040 0.00075960 0.28898460 1.0
Pd Pd32 1 0.00004760 0.99995240 0.71034355 1.0
