V(NiPt)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202345 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

V(NiPt)4

MP-ID

mp-3202345

Elements

Sites

Density

15.1712

g/cm³

Volume

116.68

Å³

Cell a

5.8789

Cell b

5.8789

Cell c

5.8789

α Angle

95.87

β Angle

95.87

γ Angle

142.69

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 24)

2θ	d (Å)	I	hkl
15.91	5.5700	34.5	(1,-1,0)
22.58	3.9386	2.6	(1,-1,1)
26.26	3.3939	7.9	(1,0,-1)
26.26	3.3939	2.6	(1,0,0)
32.14	2.7850	15.0	(2,-2,0)
32.14	2.7850	15.0	(0,0,2)
34.90	2.5711	13.4	(1,0,-2)
34.90	2.5711	40.2	(2,-1,-1)
36.06	2.4910	2.8	(2,-2,1)
41.96	2.1529	100.0	(2,-1,-2)
41.96	2.1529	100.0	(2,-1,1)
46.09	1.9693	2.9	(2,-2,2)
48.41	1.8805	34.1	(1,1,-1)
49.07	1.8567	61.3	(3,-3,0)
51.28	1.7817	3.0	(2,0,-1)
51.91	1.7614	3.6	(3,-3,1)
59.30	1.5585	5.6	(1,1,-3)
59.30	1.5585	5.6	(3,-1,-1)
59.87	1.5448	10.1	(3,-3,2)
61.82	1.5008	1.1	(2,0,-3)
64.08	1.4531	3.1	(3,-2,-3)
64.08	1.4531	1.1	(3,-2,2)
68.87	1.3633	13.1	(4,-3,-2)
68.87	1.3633	5.2	(4,-3,1)

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Energy Properties

Formation Energy/atom

-0.28286

eV/atom

Energy/atom

-30.05701

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.0570

eV/atom

Volume/atom

12.96

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.6494

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.022710

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.444

Element Family

3d-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

0.9541

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.399%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2275

smaller = more stable mixing

VEC

9.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-16.125

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8783

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.679

Family

Ni-rich Multi-Component

Matrix Element

Ni · 0.444

Related Tasks

Related computation task IDs (1)

aaahaffd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202345

Reference Citation

The crystal structure and related material properties of V(NiPt)4 were obtained from the Materials Project database (MP-ID: mp-3202345, 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(NiPt)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87887588
_cell_length_b   5.87887619
_cell_length_c   5.87887617
_cell_angle_alpha   95.87248436
_cell_angle_beta   95.87248436
_cell_angle_gamma   142.69026498
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V(NiPt)4
_chemical_formula_sum   'V1 Ni4 Pt4'
_cell_volume   116.68259522
_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  0.34125583  0.34125583  0.68251166  1.0
  Ni  Ni2  1  0.65874417  0.65874417  0.31748834  1.0
  Ni  Ni3  1  0.65874417  0.34125583  1.00000000  1.0
  Ni  Ni4  1  0.34125583  0.65874417  0.00000000  1.0
  Pt  Pt5  1  1.00000000  0.31848788  0.31848788  1.0
  Pt  Pt6  1  0.00000000  0.68151212  0.68151212  1.0
  Pt  Pt7  1  0.68151212  0.00000000  0.68151212  1.0
  Pt  Pt8  1  0.31848788  1.00000000  0.31848788  1.0

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