VPt7Rh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3201425 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

VPt7Rh

MP-ID

mp-3201425

Elements

Sites

Density

18.9029

g/cm³

Volume

133.48

Å³

Cell a

6.1950

Cell b

6.1950

Cell c

6.1763

α Angle

95.60

β Angle

95.60

γ Angle

143.64

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
15.05	5.8857	4.1	(1,-1,0)
15.10	5.8661	1.2	(0,0,1)
21.39	4.1549	1.4	(1,-1,1)
25.41	3.5052	2.6	(0,1,0)
30.37	2.9428	3.7	(2,-2,0)
30.48	2.9330	1.1	(0,0,2)
33.47	2.6773	3.3	(1,0,1)
33.47	2.6773	3.3	(1,0,-2)
40.04	2.2516	33.3	(2,-1,1)
40.04	2.2516	100.0	(1,-2,-1)
46.28	1.9619	21.8	(3,-3,0)
46.44	1.9554	21.8	(0,0,3)
47.01	1.9330	21.4	(1,1,-1)
65.01	1.4346	1.4	(3,-4,2)
67.65	1.3850	7.0	(3,-3,3)
67.65	1.3850	7.0	(3,-3,-3)
68.10	1.3769	6.9	(4,-2,-1)
68.10	1.3769	6.9	(2,-4,1)
68.22	1.3747	7.0	(1,1,2)
68.22	1.3747	7.0	(1,1,-4)
81.49	1.1811	4.1	(5,-4,1)
81.49	1.1811	8.2	(5,-4,-2)
81.49	1.1811	4.1	(4,-5,-1)
81.73	1.1782	4.2	(2,-1,4)

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Energy Properties

Formation Energy/atom

-0.31046

eV/atom

Energy/atom

-44.60378

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-44.6038

eV/atom

Volume/atom

14.83

Å³

c/a Ratio

0.9970

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.778

Element Family

5d-TM

Solute Fraction

0.222

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6837

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.6846

J/mol·K

Ω Parameter

0.4672

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.508%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2043

smaller = more stable mixing

VEC

9.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-25.291

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6224

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.671

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.778

Related Tasks

Related computation task IDs (1)

aaahadvt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3201425

Reference Citation

The crystal structure and related material properties of VPt7Rh were obtained from the Materials Project database (MP-ID: mp-3201425, 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…

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Raw CIF Data

# generated using pymatgen
data_VPt7Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19496217
_cell_length_b   6.19496146
_cell_length_c   6.17634028
_cell_angle_alpha   95.60412544
_cell_angle_beta   95.60411764
_cell_angle_gamma   143.63710843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPt7Rh
_chemical_formula_sum   'V1 Pt7 Rh1'
_cell_volume   133.47614531
_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  0.99421508  0.99421508  0.98843016  1.0
  Pt  Pt1  1  0.66258212  0.66258212  0.32516424  1.0
  Pt  Pt2  1  0.65951385  0.33975958  0.99927343  1.0
  Pt  Pt3  1  0.33975958  0.65951385  0.99927343  1.0
  Pt  Pt4  1  0.00170259  0.32855413  0.33025673  1.0
  Pt  Pt5  1  0.99816453  0.67386451  0.67202904  1.0
  Pt  Pt6  1  0.67386451  0.99816453  0.67202904  1.0
  Pt  Pt7  1  0.32855413  0.00170259  0.33025673  1.0
  Rh  Rh8  1  0.34164260  0.34164260  0.68328619  1.0

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