Na2InPt3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202101 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Na2InPt3

MP-ID

mp-3202101

Elements

Sites

Density

10.8778

g/cm³

Volume

113.89

Å³

Cell a

5.4087

Cell b

5.4736

Cell c

5.4736

α Angle

60.00

β Angle

59.60

γ Angle

59.60

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

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 24)

2θ	d (Å)	I	hkl
19.91	4.4601	92.6	(1,1,1)
20.23	4.3894	72.2	(1,0,0)
23.12	3.8470	4.1	(1,1,0)
33.13	2.7039	5.3	(2,1,1)
38.60	2.3326	38.3	(1,0,2)
38.60	2.3326	19.1	(1,2,0)
38.78	2.3224	17.7	(2,1,2)
38.78	2.3224	35.3	(1,1,-1)
39.13	2.3022	18.4	(2,0,1)
39.13	2.3022	9.2	(2,1,0)
40.45	2.2300	100.0	(2,2,2)
41.13	2.1947	30.3	(2,0,0)
47.26	1.9235	36.8	(2,0,2)
47.26	1.9235	18.4	(2,2,0)
51.48	1.7753	5.1	(2,2,3)
51.48	1.7753	10.2	(2,3,2)
51.90	1.7618	18.0	(3,2,2)
52.32	1.7485	8.0	(2,0,-1)
53.52	1.7122	1.5	(3,2,1)
58.67	1.5737	2.1	(3,3,2)
62.47	1.4867	8.6	(2,0,3)
62.47	1.4867	4.3	(0,3,0)
62.72	1.4814	4.5	(3,1,3)
62.72	1.4814	9.0	(2,2,-1)

Get direct link

Energy Properties

Formation Energy/atom

-0.50269

eV/atom

Energy/atom

-31.19771

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.1977

eV/atom

Volume/atom

18.98

Å³

c/a Ratio

1.0120

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 · 0.500

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

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

0.2115

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.366%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6039

smaller = more stable mixing

VEC

5.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-48.333

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.465

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.500

Related Tasks

Related computation task IDs (1)

aaahaevt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202101

Reference Citation

The crystal structure and related material properties of Na2InPt3 were obtained from the Materials Project database (MP-ID: mp-3202101, 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_Na2InPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40866666
_cell_length_b   5.47355342
_cell_length_c   5.47355422
_cell_angle_alpha   59.99999516
_cell_angle_beta   59.60234382
_cell_angle_gamma   59.60234775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2InPt3
_chemical_formula_sum   'Na2 In1 Pt3'
_cell_volume   113.88783165
_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
  Na  Na0  1  0.47882339  0.50705854  0.50705854  1.0
  Na  Na1  1  0.77117661  0.74294146  0.74294146  1.0
  In  In2  1  0.62500000  0.12500000  0.12500000  1.0
  Pt  Pt3  1  0.12500000  0.12500000  0.12500000  1.0
  Pt  Pt4  1  0.12500000  0.62500000  0.12500000  1.0
  Pt  Pt5  1  0.12500000  0.12500000  0.62500000  1.0

Get direct link