V(NiPt3)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202287 · Space group: Fmmm (#69)

Materials Project API

Basic Information

Formula

V(NiPt3)2

MP-ID

mp-3202287

Elements

Sites

Density

17.5923

g/cm³

Volume

126.37

Å³

Cell a

5.9859

Cell b

5.9859

Cell c

6.0996

α Angle

95.83

β Angle

95.83

γ Angle

142.45

Space Group

Fmmm

Point Group

mmm

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
15.64	5.6675	12.2	(1,-1,0)
31.57	2.8337	16.2	(2,-2,0)
33.82	2.6507	27.7	(1,0,1)
40.82	2.2108	33.3	(2,-1,1)
40.82	2.2108	100.0	(2,-1,-2)
47.11	1.9291	23.0	(0,0,3)
47.18	1.9264	22.9	(1,1,-1)
48.17	1.8892	18.4	(3,-3,0)
49.94	1.8262	1.5	(1,-1,3)
57.82	1.5947	6.2	(2,-2,3)
57.88	1.5932	3.1	(3,-1,-1)
57.88	1.5932	3.1	(1,-3,1)
67.25	1.3922	3.0	(4,-3,1)
67.25	1.3922	6.0	(4,-3,-2)
67.25	1.3922	3.0	(3,-4,-1)
68.88	1.3631	14.8	(1,1,2)
69.66	1.3497	6.1	(3,-3,3)
69.66	1.3497	6.1	(3,-3,-3)
69.72	1.3488	6.1	(4,-2,-1)
69.72	1.3488	6.1	(2,-4,1)
77.74	1.2284	1.4	(3,-1,2)
77.74	1.2284	4.1	(3,-1,-4)
78.93	1.2129	2.7	(1,0,4)
79.03	1.2116	2.0	(2,1,0)

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Energy Properties

Formation Energy/atom

-0.32543

eV/atom

Energy/atom

-38.87869

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.8787

eV/atom

Volume/atom

14.04

Å³

c/a Ratio

1.0190

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.0024

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.015840

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.667

Element Family

5d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

0.7936

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.542%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2313

smaller = more stable mixing

VEC

9.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.669

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.632

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.667

Related Tasks

Related computation task IDs (1)

aaahafcx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202287

Reference Citation

The crystal structure and related material properties of V(NiPt3)2 were obtained from the Materials Project database (MP-ID: mp-3202287, 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_V(NiPt3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98593416
_cell_length_b   5.98593335
_cell_length_c   6.09955881
_cell_angle_alpha   95.83372414
_cell_angle_beta   95.83371726
_cell_angle_gamma   142.45336776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V(NiPt3)2
_chemical_formula_sum   'V1 Ni2 Pt6'
_cell_volume   126.37221094
_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
  Ni  Ni1  1  0.33583045  0.33583045  0.67166090  1.0
  Ni  Ni2  1  0.66416955  0.66416955  0.32833910  1.0
  Pt  Pt3  1  0.65463364  0.34536636  0.00000000  1.0
  Pt  Pt4  1  0.34536636  0.65463364  1.00000000  1.0
  Pt  Pt5  1  0.01034342  0.32232241  0.33266583  1.0
  Pt  Pt6  1  0.98965658  0.67767759  0.66733417  1.0
  Pt  Pt7  1  0.67767759  0.98965658  0.66733417  1.0
  Pt  Pt8  1  0.32232241  0.01034342  0.33266583  1.0

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