Tb8GaPt24
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3292464 · Space group: Pm-3m (#221)
Basic Information
Formula
Tb8GaPt24
MP-ID
mp-3292464
Elements
3
Sites
33
Density
17.3459
g/cm³
Volume
576.60
ų
Cell a
8.3232
Å
Cell b
8.3232
Å
Cell c
8.3232
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
Yes
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 19)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.35 | 4.1616 | 1.7 | (2,0,0) |
| 32.27 | 2.7744 | 1.3 | (3,0,0) |
| 37.43 | 2.4027 | 100.0 | (2,2,2) |
| 39.02 | 2.3085 | 3.2 | (3,2,0) |
| 40.55 | 2.2245 | 1.3 | (3,2,1) |
| 43.49 | 2.0808 | 51.2 | (4,0,0) |
| 44.90 | 2.0187 | 3.6 | (3,2,2) |
| 46.28 | 1.9618 | 1.5 | (3,3,0) |
| 51.50 | 1.7745 | 1.7 | (3,3,2) |
| 59.84 | 1.5456 | 1.5 | (5,2,0) |
| 63.20 | 1.4714 | 31.0 | (4,4,0) |
| 64.29 | 1.4489 | 1.3 | (5,2,2) |
| 72.75 | 1.2999 | 1.6 | (6,2,1) |
| 75.82 | 1.2548 | 33.1 | (6,2,2) |
| 76.83 | 1.2408 | 2.7 | (6,3,0) |
| 79.84 | 1.2014 | 9.7 | (4,4,4) |
| 80.84 | 1.1890 | 2.8 | (6,3,2) |
| 85.79 | 1.1327 | 1.3 | (7,2,1) |
| 88.74 | 1.1024 | 2.1 | (7,2,2) |
Energy Properties
Formation Energy/atom
-1.10449
eV/atom
Energy/atom
-46.46690
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-46.4669
eV/atom
Volume/atom
17.47
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
0.0004
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
Pt · 0.727
Element Family
5d-TM
Solute Fraction
0.273
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.6811
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
5.6626
J/mol·K
Ω Parameter
5.6059
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.509%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5040
smaller = more stable mixing
VEC
9.545
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.908
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6200
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.619
Family
Pt-rich Multi-Component
Matrix Element
Pt · 0.727
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292464
Reference Citation
The crystal structure and related material properties of Tb8GaPt24 were obtained from the Materials Project database (MP-ID: mp-3292464, 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_Tb8GaPt24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.32322858
_cell_length_b 8.32322858
_cell_length_c 8.32322858
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb8GaPt24
_chemical_formula_sum 'Tb8 Ga1 Pt24'
_cell_volume 576.60109886
_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 0.25091080 0.25091080 0.74908920 1.0
Tb Tb1 1 0.25091080 0.74908920 0.25091080 1.0
Tb Tb2 1 0.74908920 0.25091080 0.25091080 1.0
Tb Tb3 1 0.74908920 0.74908920 0.74908920 1.0
Tb Tb4 1 0.74908920 0.74908920 0.25091080 1.0
Tb Tb5 1 0.74908920 0.25091080 0.74908920 1.0
Tb Tb6 1 0.25091080 0.74908920 0.74908920 1.0
Tb Tb7 1 0.25091080 0.25091080 0.25091080 1.0
Ga Ga8 1 0.00000000 0.00000000 0.00000000 1.0
Pt Pt9 1 0.50000000 0.50000000 0.74611140 1.0
Pt Pt10 1 0.50000000 0.25388860 0.50000000 1.0
Pt Pt11 1 0.25388860 0.50000000 0.50000000 1.0
Pt Pt12 1 0.50000000 0.50000000 0.25388860 1.0
Pt Pt13 1 0.50000000 0.74611140 0.50000000 1.0
Pt Pt14 1 0.74611140 0.50000000 0.50000000 1.0
Pt Pt15 1 0.00000000 0.00000000 0.70414179 1.0
Pt Pt16 1 0.00000000 0.29585821 0.00000000 1.0
Pt Pt17 1 0.29585821 0.00000000 0.00000000 1.0
Pt Pt18 1 0.00000000 0.00000000 0.29585821 1.0
Pt Pt19 1 0.00000000 0.70414179 0.00000000 1.0
Pt Pt20 1 0.70414179 0.00000000 0.00000000 1.0
Pt Pt21 1 0.00000000 0.50000000 0.73772294 1.0
Pt Pt22 1 0.50000000 0.26227706 0.00000000 1.0
Pt Pt23 1 0.26227706 0.00000000 0.50000000 1.0
Pt Pt24 1 0.00000000 0.26227706 0.50000000 1.0
Pt Pt25 1 0.50000000 0.00000000 0.73772294 1.0
Pt Pt26 1 0.26227706 0.50000000 0.00000000 1.0
Pt Pt27 1 0.00000000 0.50000000 0.26227706 1.0
Pt Pt28 1 0.50000000 0.73772294 0.00000000 1.0
Pt Pt29 1 0.00000000 0.73772294 0.50000000 1.0
Pt Pt30 1 0.50000000 0.00000000 0.26227706 1.0
Pt Pt31 1 0.73772294 0.00000000 0.50000000 1.0
Pt Pt32 1 0.73772294 0.50000000 0.00000000 1.0
