VPt5Rh3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3201046 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

VPt5Rh3

MP-ID

mp-3201046

Elements

Sites

Density

17.0094

g/cm³

Volume

130.34

Å³

Cell a

6.1527

Cell b

6.1527

Cell c

6.1128

α Angle

95.63

β Angle

95.63

γ Angle

143.61

Space Group

Fmm2

Point Group

mm2

Crystal System

Orthorhombic

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
15.16	5.8450	9.1	(1,-1,0)
15.27	5.8030	2.0	(0,0,1)
25.58	3.4823	1.5	(1,0,0)
30.59	2.9225	6.5	(2,-2,0)
30.82	2.9015	1.9	(0,0,2)
33.65	2.6631	1.7	(2,-1,0)
33.65	2.6631	1.7	(1,-2,0)
33.76	2.6551	12.2	(1,0,1)
40.38	2.2339	100.0	(2,-1,1)
40.38	2.2339	33.3	(1,-2,2)
46.62	1.9483	21.6	(3,-3,0)
46.97	1.9343	21.6	(0,0,3)
47.31	1.9213	21.5	(1,1,-1)
49.64	1.8364	1.1	(1,-1,3)
49.97	1.8252	1.0	(2,0,-1)
57.10	1.6130	2.4	(2,-2,3)
57.40	1.6055	1.2	(3,-1,-1)
57.40	1.6055	1.2	(1,-3,1)
65.55	1.4241	2.3	(4,-3,1)
65.55	1.4241	2.3	(3,-4,-1)
65.87	1.4180	1.4	(2,-1,3)
68.33	1.3727	13.5	(3,-3,3)
68.60	1.3680	6.8	(4,-2,-1)
68.60	1.3680	6.8	(2,-4,1)

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Energy Properties

Formation Energy/atom

-0.31333

eV/atom

Energy/atom

-38.52853

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.5285

eV/atom

Volume/atom

14.48

Å³

c/a Ratio

0.9935

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

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 · 0.556

Element Family

5d-TM

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9369

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7893

J/mol·K

Ω Parameter

0.4863

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.816%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2043

smaller = more stable mixing

VEC

9.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-33.990

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8528

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 · 0.556

Related Tasks

Related computation task IDs (1)

aaahadhe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3201046

Reference Citation

The crystal structure and related material properties of VPt5Rh3 were obtained from the Materials Project database (MP-ID: mp-3201046, 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_VPt5Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15269581
_cell_length_b   6.15269519
_cell_length_c   6.11281973
_cell_angle_alpha   95.63260431
_cell_angle_beta   95.63260855
_cell_angle_gamma   143.60771266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPt5Rh3
_chemical_formula_sum   'V1 Pt5 Rh3'
_cell_volume   130.33696767
_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
  V  V0  1  0.00409055  0.99590945  1.00000000  1.0
  Pt  Pt1  1  0.33931253  0.66068747  1.00000000  1.0
  Pt  Pt2  1  0.00220689  0.32681182  0.32901771  1.0
  Pt  Pt3  1  0.99810662  0.67548566  0.67359228  1.0
  Pt  Pt4  1  0.67318818  0.99779311  0.67098229  1.0
  Pt  Pt5  1  0.32451434  0.00189338  0.32640772  1.0
  Rh  Rh6  1  0.34114058  0.33975078  0.68089136  1.0
  Rh  Rh7  1  0.66024922  0.65885942  0.31910864  1.0
  Rh  Rh8  1  0.65719109  0.34280891  0.00000000  1.0

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