TbInPt4

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1024984 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

TbInPt4

MP-ID

mp-1024984

Elements

Sites

Density

15.9739

g/cm³

Volume

109.58

Å³

Cell a

5.3713

Cell b

5.3713

Cell c

5.3713

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 14)

2θ	d (Å)	I	hkl
20.25	4.3856	19.1	(1,1,1)
33.36	2.6856	17.7	(2,1,1)
39.34	2.2903	100.0	(2,2,1)
41.17	2.1928	51.9	(2,2,2)
47.90	1.8990	10.5	(2,2,0)
52.51	1.7427	5.0	(3,2,2)
59.63	1.5506	6.6	(3,3,2)
63.65	1.4619	32.7	(3,3,1)
70.07	1.3428	30.0	(4,2,2)
73.80	1.2840	3.7	(4,2,1)
79.86	1.2011	2.8	(4,3,1)
83.44	1.1584	11.7	(4,1,0)
84.63	1.1452	20.4	(4,4,2)
89.36	1.0964	2.6	(4,4,4)

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Energy Properties

Formation Energy/atom

-0.89874

eV/atom

Energy/atom

-44.19139

eV/atom

Energy above Hull

0.0335

eV/atom

Uncorrected Energy

-44.1914

eV/atom

Volume/atom

18.26

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

161.456

GPa

G_VRH

57.587

GPa

Young's Modulus E

154.404

GPa

Poisson Ratio ν

0.341

Pugh Ratio K/G

2.804

Vickers Hardness Est.

3.412

GPa

Ductility

Brittle

Anisotropy

0.473

Lame λ

123.065

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.667

Element Family

5d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

5.2507

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.196%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4420

smaller = more stable mixing

VEC

8.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.340

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.563

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4730

Homogeneous Poisson ν

0.3410

Debye Temperature

254.5

Sound Velocity

2,132.1

m/s

Homogeneity

0.3410

Related Tasks

Related computation task IDs (5)

aaacjbcg aaadsrhp aaaegxub aaaeuups aaafbyfc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1024984

Reference Citation

The crystal structure and related material properties of TbInPt4 were obtained from the Materials Project database (MP-ID: mp-1024984, 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_TbInPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37125463
_cell_length_b   5.37125463
_cell_length_c   5.37125463
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbInPt4
_chemical_formula_sum   'Tb1 In1 Pt4'
_cell_volume   109.57518802
_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  0.75000000  0.75000000  0.75000000  1.0
  In  In1  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Pt  Pt2  1  0.37458168  0.37458168  0.37458168  1.0
  Pt  Pt3  1  0.87625595  0.37458168  0.37458168  1.0
  Pt  Pt4  1  0.37458168  0.87625595  0.37458168  1.0
  Pt  Pt5  1  0.37458168  0.37458168  0.87625595  1.0

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