MnV2O4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-819330 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

MnV2O4

MP-ID

mp-819330

Elements

Sites

Density

4.4523

g/cm³

Volume

164.72

Å³

Cell a

6.1397

Cell b

6.1428

Cell c

6.1494

α Angle

119.81

β Angle

90.13

γ Angle

119.82

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Stability

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
17.62	5.0341	5.1	(0,0,1)
17.65	5.0256	5.3	(1,0,0)
17.68	5.0169	100.0	(1,-1,0)
20.36	4.3627	31.6	(0,1,0)
20.46	4.3399	27.6	(1,-1,1)
28.97	3.0823	12.8	(1,0,1)
29.07	3.0714	13.8	(1,-2,1)
34.09	2.6303	18.5	(1,1,0)
34.14	2.6260	3.2	(0,2,-1)
34.15	2.6258	18.2	(1,0,-2)
34.19	2.6227	19.3	(1,-1,2)
34.19	2.6222	18.8	(2,0,-1)
34.20	2.6219	18.7	(2,-1,-1)
35.67	2.5170	2.9	(0,0,2)
35.73	2.5128	2.7	(2,0,0)
35.78	2.5095	5.2	(0,2,-2)
35.80	2.5084	3.7	(2,-2,0)
41.39	2.1814	62.8	(0,2,0)
41.52	2.1749	14.9	(2,0,-2)
41.62	2.1700	55.3	(2,-2,2)
45.39	1.9981	12.0	(2,1,-1)
45.40	1.9977	11.9	(2,-2,-1)
45.42	1.9969	11.2	(0,1,-3)
45.42	1.9968	7.5	(1,2,-2)

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Energy Properties

Formation Energy/atom

0.76545

eV/atom

Energy/atom

-5.96622

eV/atom

Energy above Hull

3.1566

eV/atom

Uncorrected Energy

-4.8497

eV/atom

Volume/atom

11.77

Å³

c/a Ratio

1.0016

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.0037

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.085020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

42.4394

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

39.169%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9093

smaller = more stable mixing

VEC

4.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.163

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.362

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (2)

aaabuqas aaabwdgv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-819330

Reference Citation

The crystal structure and related material properties of MnV2O4 were obtained from the Materials Project database (MP-ID: mp-819330, 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_MnV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13973900
_cell_length_b   6.14280415
_cell_length_c   6.14936595
_cell_angle_alpha   119.81096320
_cell_angle_beta   90.12870995
_cell_angle_gamma   119.82328737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2O4
_chemical_formula_sum   'Mn2 V4 O8'
_cell_volume   164.71585597
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.87377500  0.50039500  0.12441800  1.0
  Mn  Mn1  1  0.12622500  0.49960500  0.87558200  1.0
  V  V2  1  0.00000000  0.50000000  0.50000000  1.0
  V  V3  1  0.50000000  0.00000000  0.00000000  1.0
  V  V4  1  0.50000000  0.00000000  0.50000000  1.0
  V  V5  1  0.50000000  0.50000000  0.50000000  1.0
  O  O6  1  0.73938000  0.50133100  0.26316000  1.0
  O  O7  1  0.26231200  0.05215300  0.73612000  1.0
  O  O8  1  0.73768800  0.94784700  0.26388000  1.0
  O  O9  1  0.28942700  0.50129200  0.26149900  1.0
  O  O10  1  0.26280200  0.94971400  0.28796700  1.0
  O  O11  1  0.26062000  0.49866900  0.73684000  1.0
  O  O12  1  0.71057300  0.49870800  0.73850100  1.0
  O  O13  1  0.73719800  0.05028600  0.71203300  1.0

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