V(FePt3)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202985 · Space group: Fmmm (#69)

Materials Project API

Basic Information

Formula

V(FePt3)2

MP-ID

mp-3202985

Elements

Sites

Density

16.9901

g/cm³

Volume

130.29

Å³

Cell a

6.0735

Cell b

6.0735

Cell c

6.1485

α Angle

95.79

β Angle

95.79

γ Angle

142.74

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
15.40	5.7553	11.4	(1,-1,0)
31.08	2.8777	12.0	(2,-2,0)
33.54	2.6720	21.4	(1,0,1)
40.38	2.2336	100.0	(2,-1,1)
46.71	1.9448	17.0	(0,0,3)
46.83	1.9401	16.9	(1,1,-1)
47.39	1.9184	14.4	(3,-3,0)
49.47	1.8425	1.4	(1,-1,3)
57.17	1.6113	4.6	(2,-2,3)
57.27	1.6087	4.6	(3,-1,-1)
66.24	1.4109	8.8	(4,-3,1)
68.29	1.3735	10.9	(1,1,2)
68.73	1.3658	4.7	(3,-3,3)
68.73	1.3658	4.7	(3,-3,-3)
68.82	1.3642	4.7	(4,-2,-1)
68.82	1.3642	4.7	(2,-4,1)
76.91	1.2396	3.0	(1,-3,-2)
78.17	1.2228	2.1	(1,0,4)
78.35	1.2204	1.1	(2,1,0)
78.35	1.2204	1.1	(2,1,-3)
82.34	1.1710	6.4	(2,-1,4)
82.34	1.1710	6.4	(2,-1,-5)
82.52	1.1690	9.6	(3,0,0)
82.52	1.1690	3.2	(0,3,-3)

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Energy Properties

Formation Energy/atom

-0.43827

eV/atom

Energy/atom

-39.53190

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-39.5319

eV/atom

Volume/atom

14.48

Å³

c/a Ratio

1.0124

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.0453

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.046400

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

0.8534

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.936%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2496

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-16.583

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.579

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.667

Related Tasks

Related computation task IDs (1)

aaahagdt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202985

Reference Citation

The crystal structure and related material properties of V(FePt3)2 were obtained from the Materials Project database (MP-ID: mp-3202985, 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(FePt3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07353517
_cell_length_b   6.07353489
_cell_length_c   6.14853105
_cell_angle_alpha   95.78508639
_cell_angle_beta   95.78508380
_cell_angle_gamma   142.74186387
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V(FePt3)2
_chemical_formula_sum   'V1 Fe2 Pt6'
_cell_volume   130.29489617
_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
  Fe  Fe1  1  0.33513932  0.33513932  0.67027864  1.0
  Fe  Fe2  1  0.66486068  0.66486068  0.32972136  1.0
  Pt  Pt3  1  0.65682995  0.34317005  1.00000000  1.0
  Pt  Pt4  1  0.34317005  0.65682995  0.00000000  1.0
  Pt  Pt5  1  0.01002251  0.32321169  0.33323420  1.0
  Pt  Pt6  1  0.98997749  0.67678831  0.66676580  1.0
  Pt  Pt7  1  0.67678831  0.98997749  0.66676580  1.0
  Pt  Pt8  1  0.32321169  0.01002251  0.33323420  1.0

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