InSnPt6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202800 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

InSnPt6

MP-ID

mp-3202800

Elements

Sites

Density

17.9038

g/cm³

Volume

130.22

Å³

Cell a

5.6894

Cell b

5.6894

Cell c

5.6894

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

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
22.10	4.0230	3.3	(1,1,0)
31.45	2.8447	1.4	(0,1,-1)
31.45	2.8447	1.4	(1,0,-1)
38.77	2.3227	100.0	(2,0,0)
45.07	2.0115	16.4	(2,2,0)
45.07	2.0115	32.8	(2,0,2)
50.74	1.7991	1.3	(3,2,1)
65.64	1.4224	10.8	(0,2,-2)
65.64	1.4224	16.3	(4,2,2)
65.64	1.4224	5.4	(2,-2,0)
78.92	1.2130	16.3	(2,4,0)
78.92	1.2130	22.8	(4,2,0)
83.18	1.1613	8.6	(0,4,0)
83.18	1.1613	2.9	(4,0,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.43293

eV/atom

Energy/atom

-44.96432

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-44.9643

eV/atom

Volume/atom

16.28

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.750

Element Family

5d-TM

Solute Fraction

0.250

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7356

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.1160

J/mol·K

Ω Parameter

1.9642

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.625%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1832

smaller = more stable mixing

VEC

8.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.130

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.664

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.750

Related Tasks

Related computation task IDs (1)

aaahafwq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202800

Reference Citation

The crystal structure and related material properties of InSnPt6 were obtained from the Materials Project database (MP-ID: mp-3202800, 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_InSnPt6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68938420
_cell_length_b   5.68938478
_cell_length_c   5.68938456
_cell_angle_alpha   60.00000129
_cell_angle_beta   59.99999794
_cell_angle_gamma   59.99999218
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSnPt6
_chemical_formula_sum   'In1 Sn1 Pt6'
_cell_volume   130.22094194
_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
  In  In0  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn1  1  0.50000000  0.50000000  0.50000000  1.0
  Pt  Pt2  1  0.50000000  0.00000000  0.00000000  1.0
  Pt  Pt3  1  0.00000000  0.50000000  0.50000000  1.0
  Pt  Pt4  1  0.00000000  0.50000000  0.00000000  1.0
  Pt  Pt5  1  0.50000000  0.00000000  0.50000000  1.0
  Pt  Pt6  1  0.00000000  0.00000000  0.50000000  1.0
  Pt  Pt7  1  0.50000000  0.50000000  0.00000000  1.0

Get direct link