V(GeO3)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1043235 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

V(GeO3)2

MP-ID

mp-1043235

Elements

Sites

Density

4.0161

g/cm³

Volume

483.29

Å³

Cell a

8.9540

Cell b

5.4623

Cell c

10.1829

α Angle

76.02

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

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
13.34	6.6351	12.0	(1,0,1)
17.95	4.9406	43.7	(0,0,2)
19.46	4.5612	6.7	(1,1,0)
19.67	4.5138	100.0	(1,1,1)
19.83	4.4770	49.2	(2,0,0)
20.53	4.3258	3.0	(1,0,2)
26.05	3.4203	22.1	(2,1,0)
26.87	3.3176	4.1	(2,0,2)
27.07	3.2938	5.1	(0,0,3)
28.88	3.0912	59.2	(1,0,3)
28.93	3.0868	2.0	(2,1,-1)
29.28	3.0502	2.8	(1,1,-2)
29.35	3.0429	52.5	(2,1,2)
29.98	2.9805	12.4	(1,1,3)
32.80	2.7301	9.3	(0,2,1)
33.82	2.6503	11.9	(0,2,0)
34.13	2.6270	48.9	(2,1,-2)
34.34	2.6114	8.7	(1,2,1)
34.61	2.5918	35.7	(3,1,1)
36.37	2.4703	2.6	(0,0,4)
36.76	2.4447	3.5	(3,1,-1)
37.19	2.4178	1.0	(0,2,-1)
37.63	2.3902	1.1	(1,1,4)
37.78	2.3814	1.2	(1,0,4)

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Energy Properties

Formation Energy/atom

-2.13797

eV/atom

Energy/atom

-7.47327

eV/atom

Energy above Hull

0.1406

eV/atom

Uncorrected Energy

-6.8264

eV/atom

Volume/atom

13.42

Å³

c/a Ratio

1.1372

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.008280

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

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

11.5299

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

38.890%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7411

smaller = more stable mixing

VEC

4.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.336

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.538

Family

O-rich Multi-Component

Matrix Element

O · 0.667

Related Tasks

Related computation task IDs (2)

aaachjjm aaadzyco

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1043235

Reference Citation

The crystal structure and related material properties of V(GeO3)2 were obtained from the Materials Project database (MP-ID: mp-1043235, 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(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95402500
_cell_length_b   5.46232200
_cell_length_c   10.18286967
_cell_angle_alpha   76.02001784
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V(GeO3)2
_chemical_formula_sum   'V4 Ge8 O24'
_cell_volume   483.28988709
_cell_formula_units_Z   4
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  0.34419700  0.72308600  0.23753700  1.0
  V  V1  1  0.84419700  0.77691400  0.76246300  1.0
  V  V2  1  0.65580300  0.27691400  0.76246300  1.0
  V  V3  1  0.15580300  0.22308600  0.23753700  1.0
  Ge  Ge4  1  0.66674200  0.80155700  0.05131300  1.0
  Ge  Ge5  1  0.16674200  0.69844300  0.94868700  1.0
  Ge  Ge6  1  0.33325800  0.19844300  0.94868700  1.0
  Ge  Ge7  1  0.83325800  0.30155700  0.05131300  1.0
  Ge  Ge8  1  0.65347900  0.62674300  0.47988700  1.0
  Ge  Ge9  1  0.15347900  0.87325700  0.52011300  1.0
  Ge  Ge10  1  0.34652100  0.37325700  0.52011300  1.0
  Ge  Ge11  1  0.84652100  0.12674300  0.47988700  1.0
  O  O12  1  0.72294000  0.93949900  0.41140900  1.0
  O  O13  1  0.22294000  0.56050100  0.58859100  1.0
  O  O14  1  0.27706000  0.06050100  0.58859100  1.0
  O  O15  1  0.77706000  0.43949900  0.41140900  1.0
  O  O16  1  0.70129500  0.06625700  0.11587100  1.0
  O  O17  1  0.20129500  0.43374300  0.88412900  1.0
  O  O18  1  0.29870500  0.93374300  0.88412900  1.0
  O  O19  1  0.79870500  0.56625700  0.11587100  1.0
  O  O20  1  0.03122700  0.17780800  0.40387300  1.0
  O  O21  1  0.53122700  0.32219200  0.59612700  1.0
  O  O22  1  0.96877300  0.82219200  0.59612700  1.0
  O  O23  1  0.46877300  0.67780800  0.40387300  1.0
  O  O24  1  0.00909200  0.19259800  0.12124300  1.0
  O  O25  1  0.50909200  0.30740200  0.87875700  1.0
  O  O26  1  0.99090800  0.80740200  0.87875700  1.0
  O  O27  1  0.49090800  0.69259800  0.12124300  1.0
  O  O28  1  0.67823900  0.88687500  0.87152100  1.0
  O  O29  1  0.17823900  0.61312500  0.12847900  1.0
  O  O30  1  0.32176100  0.11312500  0.12847900  1.0
  O  O31  1  0.82176100  0.38687500  0.87152100  1.0
  O  O32  1  0.70248500  0.61338600  0.66260200  1.0
  O  O33  1  0.20248500  0.88661400  0.33739800  1.0
  O  O34  1  0.29751500  0.38661400  0.33739800  1.0
  O  O35  1  0.79751500  0.11338600  0.66260200  1.0

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