TbInPt2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025449 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

TbInPt2

MP-ID

mp-1025449

Elements

Sites

Density

13.1817

g/cm³

Volume

167.27

Å³

Cell a

4.7952

Cell b

4.7952

Cell c

8.4001

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

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 24)

2θ	d (Å)	I	hkl
21.15	4.2000	12.9	(0,0,0,2)
21.40	4.1527	8.1	(1,0,-1,0)
23.90	3.7227	5.8	(1,0,-1,1)
23.90	3.7227	2.9	(1,-1,0,1)
30.27	2.9530	15.4	(1,0,-1,2)
37.51	2.3976	100.0	(2,-1,-1,0)
38.79	2.3216	77.9	(1,0,-1,3)
43.46	2.0822	12.3	(2,-1,-1,2)
43.59	2.0764	1.3	(2,0,-2,0)
44.97	2.0157	1.8	(2,0,-2,1)
48.58	1.8740	11.4	(1,0,-1,4)
48.94	1.8613	4.0	(2,0,-2,2)
55.06	1.6678	18.9	(2,0,-2,3)
55.06	1.6678	9.4	(2,-2,0,3)
58.83	1.5696	1.1	(3,-1,-2,0)
59.96	1.5429	1.6	(3,-1,-2,1)
62.95	1.4765	5.3	(2,0,-2,4)
63.25	1.4703	3.6	(3,-1,-2,2)
66.82	1.4000	1.5	(0,0,0,6)
67.69	1.3842	17.8	(3,0,-3,0)
68.54	1.3691	29.4	(3,-1,-2,3)
71.06	1.3267	11.4	(1,0,-1,6)
71.80	1.3147	2.9	(3,0,-3,2)
75.64	1.2572	2.1	(2,1,-3,4)

Get direct link

Energy Properties

Formation Energy/atom

-0.95090

eV/atom

Energy/atom

-40.14601

eV/atom

Energy above Hull

0.1434

eV/atom

Uncorrected Energy

-5.6934

eV/atom

Volume/atom

20.91

Å³

c/a Ratio

1.7518

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

116.677

GPa

G_VRH

70.719

GPa

Young's Modulus E

176.498

GPa

Poisson Ratio ν

0.248

Pugh Ratio K/G

1.650

Vickers Hardness Est.

10.446

GPa

Ductility

Ductile

Anisotropy

-4.722

Lame λ

69.531

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.500

Element Family

5d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

5.0399

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.483%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4839

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.633

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.373

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

-4.7220

Homogeneous Poisson ν

0.2480

Debye Temperature

304.3

Sound Velocity

2,570.8

m/s

Homogeneity

0.2480

Related Tasks

Related computation task IDs (5)

aaadoeon aaadvqcy aaaeahrh aaaeqfan aaafbdfl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025449

Reference Citation

The crystal structure and related material properties of TbInPt2 were obtained from the Materials Project database (MP-ID: mp-1025449, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_TbInPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79515384
_cell_length_b   4.79515384
_cell_length_c   8.40008800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999786
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbInPt2
_chemical_formula_sum   'Tb2 In2 Pt4'
_cell_volume   167.27058186
_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  0.00000000  0.00000000  0.00000000  1.0
  Tb  Tb1  1  0.00000000  0.00000000  0.50000000  1.0
  In  In2  1  0.33333300  0.66666700  0.25000000  1.0
  In  In3  1  0.66666700  0.33333300  0.75000000  1.0
  Pt  Pt4  1  0.33333300  0.66666700  0.59099800  1.0
  Pt  Pt5  1  0.66666700  0.33333300  0.40900200  1.0
  Pt  Pt6  1  0.66666700  0.33333300  0.09099800  1.0
  Pt  Pt7  1  0.33333300  0.66666700  0.90900200  1.0

Get direct link