V(Zn2Ga)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202630 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

V(Zn2Ga)2

MP-ID

mp-3202630

Elements

Sites

Density

6.9617

g/cm³

Volume

107.82

Å³

Cell a

5.3969

Cell b

5.3969

Cell c

5.2433

α Angle

60.94

β Angle

60.94

γ Angle

58.13

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

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
20.37	4.3590	9.9	(1,0,0)
22.67	3.9219	5.4	(1,1,0)
24.00	3.7076	11.1	(1,0,1)
33.25	2.6942	9.9	(2,1,1)
34.20	2.6216	1.9	(1,-1,0)
34.20	2.6216	1.9	(1,1,2)
38.47	2.3398	1.8	(2,1,0)
40.14	2.2466	1.9	(2,0,1)
40.14	2.2466	1.2	(2,1,2)
41.43	2.1795	33.3	(0,2,0)
41.43	2.1795	100.0	(2,0,0)
46.30	1.9609	23.9	(2,2,0)
49.15	1.8538	39.8	(2,0,2)
52.81	1.7334	2.7	(3,2,1)
54.77	1.6760	1.5	(3,1,2)
55.41	1.6581	1.2	(2,-1,1)
55.41	1.6581	1.2	(2,1,3)
60.64	1.5272	2.2	(3,0,1)
60.64	1.5272	1.3	(3,2,3)
69.82	1.3471	13.0	(4,2,2)
69.82	1.3471	13.0	(2,0,-2)
72.05	1.3108	5.9	(2,-2,0)
72.05	1.3108	5.9	(2,2,4)
75.02	1.2661	1.2	(4,1,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.13482

eV/atom

Energy/atom

-10.50875

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-10.5088

eV/atom

Volume/atom

15.40

Å³

c/a Ratio

0.9715

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.571

Element Family

3d-TM

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

0.9000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

0.336%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0744

smaller = more stable mixing

VEC

8.429

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.012

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.727

Family

Zn-based Alloy

Matrix Element

Zn · 0.571

Related Tasks

Related computation task IDs (1)

aaahafqc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202630

Reference Citation

The crystal structure and related material properties of V(Zn2Ga)2 were obtained from the Materials Project database (MP-ID: mp-3202630, 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_V(Zn2Ga)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39693443
_cell_length_b   5.39693473
_cell_length_c   5.24328718
_cell_angle_alpha   60.93736966
_cell_angle_beta   60.93736787
_cell_angle_gamma   58.12525970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V(Zn2Ga)2
_chemical_formula_sum   'V1 Zn4 Ga2'
_cell_volume   107.81961472
_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  0.00000000  0.00000000  0.00000000  1.0
  Zn  Zn1  1  0.49999900  0.00000000  0.00000000  1.0
  Zn  Zn2  1  0.00000000  0.49999900  0.00000000  1.0
  Zn  Zn3  1  0.49999900  0.00000000  0.49999900  1.0
  Zn  Zn4  1  0.00000000  0.49999900  0.49999900  1.0
  Ga  Ga5  1  0.49999900  0.49999900  0.00000000  1.0
  Ga  Ga6  1  0.00000000  0.00000000  0.49999900  1.0

Get direct link