V3Co5O16

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-867562 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

V3Co5O16

MP-ID

mp-867562

Elements

Sites

Density

4.7720

g/cm³

Volume

244.79

Å³

Cell a

5.6478

Cell b

5.6478

Cell c

8.7923

α Angle

89.68

β Angle

89.68

γ Angle

60.79

Space Group

Point Group

Crystal System

Monoclinic

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
10.06	8.7921	1.5	(0,0,0,1)
18.21	4.8714	1.8	(1,1,-2,0)
20.20	4.3960	100.0	(0,0,0,2)
20.63	4.3059	73.7	(1,0,-1,1)
20.69	4.2940	69.9	(1,0,-1,-1)
20.79	4.2726	37.6	(1,1,-2,1)
20.90	4.2496	30.2	(1,1,-2,-1)
27.13	3.2863	22.3	(1,0,-1,2)
27.22	3.2757	25.3	(1,0,-1,-2)
27.24	3.2740	13.2	(1,1,-2,2)
27.42	3.2533	13.0	(1,1,-2,-2)
31.69	2.8236	1.0	(2,1,-3,0)
35.59	2.5227	14.1	(1,0,-1,3)
35.65	2.5184	6.9	(1,1,-2,3)
35.69	2.5156	16.3	(1,0,-1,-3)
35.86	2.5042	10.6	(1,1,-2,-3)
36.45	2.4649	19.0	(2,0,-2,0)
36.90	2.4357	10.3	(2,2,-4,0)
37.54	2.3959	31.9	(1,-1,0,2)
37.77	2.3818	31.6	(2,1,-3,2)
37.88	2.3754	30.8	(2,0,-2,1)
37.94	2.3714	29.0	(2,0,-2,-1)
37.97	2.3698	32.3	(2,1,-3,-2)
38.28	2.3512	15.0	(2,2,-4,1)

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Energy Properties

Formation Energy/atom

-1.56645

eV/atom

Energy/atom

-7.48671

eV/atom

Energy above Hull

0.1151

eV/atom

Uncorrected Energy

-6.4750

eV/atom

Volume/atom

10.20

Å³

c/a Ratio

1.5568

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9980

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.008160

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8570

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1254

J/mol·K

Ω Parameter

3.3114

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

39.050%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7827

smaller = more stable mixing

VEC

5.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.458

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7801

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.552

Family

O-rich Multi-Component

Matrix Element

O · 0.667

Related Tasks

Related computation task IDs (3)

aaabzdvc aaacyqrp aaadrpxe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-867562

Reference Citation

The crystal structure and related material properties of V3Co5O16 were obtained from the Materials Project database (MP-ID: mp-867562, 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_V3Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64780923
_cell_length_b   5.64780923
_cell_length_c   8.79226237
_cell_angle_alpha   89.68432474
_cell_angle_beta   89.68432474
_cell_angle_gamma   60.79300966
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Co5O16
_chemical_formula_sum   'V3 Co5 O16'
_cell_volume   244.79225788
_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  0.15226600  0.15226600  0.21258600  1.0
  V  V1  1  0.32690500  0.83022100  0.70913100  1.0
  V  V2  1  0.83022100  0.32690500  0.70913100  1.0
  Co  Co3  1  0.16708300  0.65942500  0.20700600  1.0
  Co  Co4  1  0.33597200  0.33597200  0.47711300  1.0
  Co  Co5  1  0.65942500  0.16708300  0.20700600  1.0
  Co  Co6  1  0.83085500  0.83085500  0.71160000  1.0
  Co  Co7  1  0.66948600  0.66948600  0.98361100  1.0
  O  O8  1  0.18537800  0.66083200  0.60034500  1.0
  O  O9  1  0.47820900  0.47820900  0.33093200  1.0
  O  O10  1  0.33216000  0.33216000  0.10004600  1.0
  O  O11  1  0.99625900  0.99625900  0.32639700  1.0
  O  O12  1  0.00181900  0.00181900  0.82442400  1.0
  O  O13  1  0.66083200  0.18537800  0.60034500  1.0
  O  O14  1  0.04572500  0.47734800  0.33827700  1.0
  O  O15  1  0.47734800  0.04572500  0.33827700  1.0
  O  O16  1  0.83648500  0.83648500  0.10429400  1.0
  O  O17  1  0.17194900  0.17194900  0.60624500  1.0
  O  O18  1  0.52456900  0.95335400  0.83937800  1.0
  O  O19  1  0.95335400  0.52456900  0.83937800  1.0
  O  O20  1  0.66598600  0.66598600  0.59801700  1.0
  O  O21  1  0.34017700  0.83590100  0.10364200  1.0
  O  O22  1  0.52146300  0.52146300  0.84472900  1.0
  O  O23  1  0.83590100  0.34017700  0.10364200  1.0

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