V4ZnO8

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1048588 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

V4ZnO8

MP-ID

mp-1048588

Elements

Sites

Density

4.3395

g/cm³

Volume

151.98

Å³

Cell a

7.3321

Cell b

7.3321

Cell c

9.9735

α Angle

48.54

β Angle

48.54

γ Angle

22.60

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
12.03	7.3566	8.7	(0,0,1)
12.33	7.1763	10.4	(1,1,1)
16.72	5.3034	19.5	(1,1,0)
17.79	4.9852	20.2	(1,1,2)
24.20	3.6783	24.3	(0,0,2)
24.81	3.5881	27.2	(2,2,2)
26.54	3.3587	37.6	(1,1,-1)
26.97	3.3065	88.0	(2,2,1)
27.93	3.1942	100.0	(1,1,3)
28.34	3.1492	41.5	(2,2,3)
32.28	2.7734	14.1	(1,0,0)
32.43	2.7610	14.4	(1,0,1)
33.80	2.6517	23.1	(2,2,0)
36.03	2.4926	2.5	(2,2,4)
36.59	2.4559	13.5	(1,0,-1)
36.65	2.4522	4.6	(0,0,3)
36.80	2.4421	63.1	(2,1,1)
36.99	2.4303	42.4	(1,0,2)
37.20	2.4169	15.6	(2,1,2)
37.60	2.3921	2.9	(3,3,3)
38.04	2.3656	10.6	(1,1,-2)
38.86	2.3174	8.2	(3,3,2)
39.57	2.2778	18.9	(1,1,4)
40.36	2.2346	7.3	(3,3,4)

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Energy Properties

Formation Energy/atom

-2.19668

eV/atom

Energy/atom

-8.13353

eV/atom

Energy above Hull

0.2281

eV/atom

Uncorrected Energy

-7.1877

eV/atom

Volume/atom

11.69

Å³

c/a Ratio

1.3603

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.7036

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.030950

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.615

Element Family

Metalloid-Nonmetal

Solute Fraction

0.385

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8587

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1396

J/mol·K

Ω Parameter

27.0136

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

40.697%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8786

smaller = more stable mixing

VEC

4.923

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.201

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7817

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.458

Family

O-rich Multi-Component

Matrix Element

O · 0.615

Related Tasks

Related computation task IDs (3)

aaachrew aaadvdbl aaadxihm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1048588

Reference Citation

The crystal structure and related material properties of V4ZnO8 were obtained from the Materials Project database (MP-ID: mp-1048588, 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_V4ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33214445
_cell_length_b   7.33214445
_cell_length_c   9.97350846
_cell_angle_alpha   48.53681561
_cell_angle_beta   48.53681561
_cell_angle_gamma   22.59930778
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V4ZnO8
_chemical_formula_sum   'V4 Zn1 O8'
_cell_volume   151.98091782
_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  0.36984900  0.36984900  0.43869200  1.0
  V  V1  1  0.85066400  0.85066400  0.78517000  1.0
  V  V2  1  0.17688100  0.17688100  0.15322200  1.0
  V  V3  1  0.65632100  0.65632100  0.49889100  1.0
  Zn  Zn4  1  0.55246500  0.55246500  0.93204800  1.0
  O  O5  1  0.16082000  0.16082000  0.36043300  1.0
  O  O6  1  0.55228900  0.55228900  0.24750700  1.0
  O  O7  1  0.47447900  0.47447900  0.69118300  1.0
  O  O8  1  0.86568900  0.86568900  0.57659900  1.0
  O  O9  1  0.84891600  0.84891600  0.33002900  1.0
  O  O10  1  0.22069000  0.22069000  0.90889000  1.0
  O  O11  1  0.17633800  0.17633800  0.61507600  1.0
  O  O12  1  0.79949800  0.79949800  0.03161400  1.0

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