Tb8AlPdPt23

High-Entropy Materials HEA

MP-ID: mp-3293121 · Space group: P4mm (#99)

Materials Project API

Basic Information

Formula

Tb8AlPdPt23

MP-ID

mp-3293121

Elements

Sites

Density

16.9918

g/cm³

Volume

575.78

Å³

Cell a

8.3138

Cell b

8.3138

Cell c

8.3301

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4mm

Point Group

4mm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 10)

2θ	d (Å)	I	hkl
37.45	2.4016	100.0	(2,2,2)
39.06	2.3058	1.2	(3,2,0)
43.45	2.0825	16.6	(0,0,4)
43.54	2.0785	32.9	(4,0,0)
44.93	2.0173	1.3	(3,2,2)
63.21	1.4711	20.1	(4,0,4)
63.28	1.4697	10.0	(4,4,0)
75.77	1.2554	11.1	(2,2,6)
75.90	1.2536	22.1	(6,2,2)
79.88	1.2008	9.5	(4,4,4)

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Energy Properties

Formation Energy/atom

-1.12279

eV/atom

Energy/atom

-45.47799

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-45.4780

eV/atom

Volume/atom

17.45

Å³

c/a Ratio

1.0020

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0051

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.697

Element Family

5d-TM

Solute Fraction

0.303

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8071

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.7099

J/mol·K

Ω Parameter

2.2551

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.429%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5060

smaller = more stable mixing

VEC

9.545

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.657

kJ/mol; negative = exothermic mixing

Entropy Norm

0.5822

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjmn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293121

Reference Citation

The crystal structure and related material properties of Tb8AlPdPt23 were obtained from the Materials Project database (MP-ID: mp-3293121, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Tb8AlPdPt23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31383743
_cell_length_b   8.31383743
_cell_length_c   8.33010634
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb8AlPdPt23
_chemical_formula_sum   'Tb8 Al1 Pd1 Pt23'
_cell_volume   575.77605682
_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  0.25066581  0.25066581  0.25082384  1.0
  Tb  Tb1  1  0.74885269  0.74885269  0.74911573  1.0
  Tb  Tb2  1  0.74933419  0.74933419  0.25082384  1.0
  Tb  Tb3  1  0.74885269  0.25114731  0.74911573  1.0
  Tb  Tb4  1  0.25114731  0.25114731  0.74911573  1.0
  Tb  Tb5  1  0.25066581  0.74933419  0.25082384  1.0
  Tb  Tb6  1  0.25114731  0.74885269  0.74911573  1.0
  Tb  Tb7  1  0.74933419  0.25066581  0.25082384  1.0
  Al  Al8  1  0.00000000  0.00000000  0.00095871  1.0
  Pd  Pd9  1  0.50000000  0.50000000  0.74586960  1.0
  Pt  Pt10  1  0.26240183  0.50000000  0.00035273  1.0
  Pt  Pt11  1  0.73759817  0.50000000  0.00035273  1.0
  Pt  Pt12  1  0.00000000  0.26206551  0.50020124  1.0
  Pt  Pt13  1  0.50000000  0.26240183  0.00035273  1.0
  Pt  Pt14  1  0.00000000  0.73793449  0.50020124  1.0
  Pt  Pt15  1  0.50000000  0.73759817  0.00035273  1.0
  Pt  Pt16  1  0.50000000  0.00000000  0.26182991  1.0
  Pt  Pt17  1  0.26206551  0.00000000  0.50020124  1.0
  Pt  Pt18  1  0.50000000  0.00000000  0.73752928  1.0
  Pt  Pt19  1  0.73793449  0.00000000  0.50020124  1.0
  Pt  Pt20  1  0.00000000  0.50000000  0.26182991  1.0
  Pt  Pt21  1  0.00000000  0.50000000  0.73752928  1.0
  Pt  Pt22  1  0.25408722  0.50000000  0.49969762  1.0
  Pt  Pt23  1  0.74591278  0.50000000  0.49969762  1.0
  Pt  Pt24  1  0.50000000  0.25408722  0.49969762  1.0
  Pt  Pt25  1  0.50000000  0.74591278  0.49969762  1.0
  Pt  Pt26  1  0.50000000  0.50000000  0.25367608  1.0
  Pt  Pt27  1  0.29453818  0.00000000  0.99956949  1.0
  Pt  Pt28  1  0.70546182  0.00000000  0.99956949  1.0
  Pt  Pt29  1  0.00000000  0.29453818  0.99956949  1.0
  Pt  Pt30  1  0.00000000  0.70546182  0.99956949  1.0
  Pt  Pt31  1  0.00000000  0.00000000  0.29478837  1.0
  Pt  Pt32  1  0.00000000  0.00000000  0.70694630  1.0

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