V(PtRh)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202359 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

V(PtRh)4

MP-ID

mp-3202359

Elements

Sites

Density

16.0315

g/cm³

Volume

128.74

Å³

Cell a

6.1077

Cell b

6.1077

Cell c

6.1077

α Angle

95.63

β Angle

95.63

γ Angle

143.49

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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 22)

2θ	d (Å)	I	hkl
15.28	5.8003	10.2	(1,-1,0)
30.83	2.9001	7.3	(2,-2,0)
33.85	2.6481	6.9	(2,-1,0)
33.85	2.6481	6.9	(1,-2,1)
40.55	2.2247	100.0	(2,-1,1)
47.00	1.9334	32.3	(3,-3,0)
47.52	1.9133	16.1	(1,1,-1)
49.71	1.8342	1.3	(3,-3,1)
57.27	1.6087	2.7	(3,-3,2)
57.73	1.5971	2.6	(1,1,1)
66.01	1.4152	5.2	(4,-3,1)
68.65	1.3671	5.0	(3,-3,3)
68.65	1.3671	5.0	(3,-3,-3)
69.06	1.3600	20.4	(4,-2,-1)
77.53	1.2313	1.8	(4,-2,1)
78.78	1.2148	1.4	(5,-4,0)
79.57	1.2048	1.3	(2,1,0)
82.88	1.1648	23.9	(5,-4,1)
83.66	1.1559	3.1	(3,0,0)
83.66	1.1559	9.3	(0,3,0)
87.74	1.1124	2.7	(4,-2,2)
87.74	1.1124	8.1	(4,-2,-4)

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Energy Properties

Formation Energy/atom

-0.30707

eV/atom

Energy/atom

-35.48322

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-35.4832

eV/atom

Volume/atom

14.30

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 · 0.444

Element Family

5d-TM

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9650

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.0227

J/mol·K

Ω Parameter

0.4966

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.824%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2043

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-34.636

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8783

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.514

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.444

Related Tasks

Related computation task IDs (1)

aaahaffr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202359

Reference Citation

The crystal structure and related material properties of V(PtRh)4 were obtained from the Materials Project database (MP-ID: mp-3202359, 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_V(PtRh)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10768613
_cell_length_b   6.10768597
_cell_length_c   6.10768592
_cell_angle_alpha   95.63167380
_cell_angle_beta   95.63166442
_cell_angle_gamma   143.48816915
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V(PtRh)4
_chemical_formula_sum   'V1 Pt4 Rh4'
_cell_volume   128.73899780
_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  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt1  1  0.00000000  0.32509701  0.32509701  1.0
  Pt  Pt2  1  0.00000000  0.67490299  0.67490299  1.0
  Pt  Pt3  1  0.67490299  1.00000000  0.67490299  1.0
  Pt  Pt4  1  0.32509701  0.00000000  0.32509701  1.0
  Rh  Rh5  1  0.34077031  0.34077031  0.68154162  1.0
  Rh  Rh6  1  0.65922969  0.65922969  0.31845838  1.0
  Rh  Rh7  1  0.65922969  0.34077031  0.00000000  1.0
  Rh  Rh8  1  0.34077031  0.65922969  1.00000000  1.0

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