V2HO4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-626489 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

V2HO4

MP-ID

mp-626489

Elements

Sites

Density

4.1588

g/cm³

Volume

133.27

Å³

Cell a

5.4776

Cell b

5.7006

Cell c

5.4776

α Angle

70.87

β Angle

113.11

γ Angle

75.16

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
18.37	4.8293	2.5	(0,1,0)
19.45	4.5646	2.6	(1,0,-1)
26.18	3.4045	100.0	(1,-1,-1)
27.56	3.2365	92.2	(1,1,-1)
35.05	2.5600	20.2	(1,0,1)
35.05	2.5600	20.2	(1,2,1)
35.66	2.5181	36.6	(2,1,0)
35.66	2.5181	36.6	(0,1,2)
37.24	2.4147	15.2	(0,2,0)
39.48	2.2823	4.4	(2,0,-2)
39.91	2.2588	13.0	(2,0,0)
39.91	2.2588	13.0	(0,2,2)
40.88	2.2077	7.8	(2,2,0)
40.88	2.2076	7.8	(0,0,2)
41.41	2.1806	7.1	(1,-2,-1)
42.97	2.1051	2.0	(2,-1,-2)
43.27	2.0911	7.6	(1,2,-1)
51.71	1.7677	13.7	(2,-1,0)
51.71	1.7677	13.7	(0,3,2)
53.03	1.7268	15.5	(3,0,-1)
53.03	1.7268	15.5	(1,-2,-3)
53.29	1.7190	12.9	(0,1,-2)
53.29	1.7190	12.9	(2,3,0)
53.86	1.7023	20.4	(2,-2,-2)

Get direct link

Energy Properties

Formation Energy/atom

-2.22761

eV/atom

Energy/atom

-8.13544

eV/atom

Energy above Hull

0.0413

eV/atom

Uncorrected Energy

-7.2572

eV/atom

Volume/atom

9.52

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.0027

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.015030

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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

50.507%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8208

smaller = more stable mixing

VEC

3.857

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.508

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (5)

aaacusmp aaadomyi aaadwagw aaaeqmcl aaafbigc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-626489

Reference Citation

The crystal structure and related material properties of V2HO4 were obtained from the Materials Project database (MP-ID: mp-626489, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_V2HO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47756367
_cell_length_b   5.70059927
_cell_length_c   5.47755202
_cell_angle_alpha   70.86828063
_cell_angle_beta   113.10657106
_cell_angle_gamma   75.16458825
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2HO4
_chemical_formula_sum   'V4 H2 O8'
_cell_volume   133.27332648
_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
  V  V0  1  0.00635100  0.00016700  0.99348600  1.0
  V  V1  1  0.22735000  0.52996700  0.74233500  1.0
  V  V2  1  0.72770200  0.52996400  0.24268600  1.0
  V  V3  1  0.50759600  0.99928900  0.49310700  1.0
  H  H4  1  0.51753200  0.04232100  0.93901900  1.0
  H  H5  1  0.01866000  0.04231800  0.44015700  1.0
  O  O6  1  0.54525600  0.16746600  0.78654900  1.0
  O  O7  1  0.04597900  0.16746500  0.28728300  1.0
  O  O8  1  0.96134400  0.82452900  0.71258700  1.0
  O  O9  1  0.46288500  0.82451200  0.21414100  1.0
  O  O10  1  0.98203100  0.32802600  0.68995300  1.0
  O  O11  1  0.48222000  0.32779200  0.18997800  1.0
  O  O12  1  0.02521000  0.67508500  0.29970300  1.0
  O  O13  1  0.52492000  0.67552100  0.79956200  1.0

Get direct link