V2GaSn2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-640159 · Space group: Cmce (#64)

Materials Project API

Basic Information

Formula

V2GaSn2

MP-ID

mp-640159

Elements

Sites

Density

7.7279

g/cm³

Volume

351.56

Å³

Cell a

9.7494

Cell b

9.7494

Cell c

6.7370

α Angle

90.00

β Angle

90.00

γ Angle

146.70

Space Group

Cmce

Point Group

mmm

Crystal System

Orthorhombic

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
16.22	5.4640	3.4	(1,-1,1)
21.20	4.1909	3.0	(1,0,1)
26.46	3.3685	6.3	(0,0,2)
28.16	3.1687	16.8	(1,-1,2)
28.67	3.1135	4.8	(3,-3,0)
31.38	2.8509	6.9	(1,0,2)
31.66	2.8263	1.5	(3,-3,1)
31.73	2.8205	100.0	(3,-2,1)
32.04	2.7934	29.9	(1,1,0)
32.78	2.7320	5.9	(2,-2,2)
33.48	2.6763	23.6	(2,0,0)
34.26	2.6175	85.9	(2,-1,2)
36.11	2.4872	63.4	(2,0,1)
37.52	2.3973	6.4	(3,-1,0)
38.55	2.3352	7.2	(4,-4,0)
39.41	2.2864	55.9	(3,-3,2)
39.47	2.2833	27.3	(3,-2,2)
39.75	2.2676	66.8	(4,-3,1)
40.90	2.2064	44.0	(4,-4,1)
41.35	2.1835	61.0	(1,-1,3)
42.02	2.1502	94.3	(1,1,2)
43.17	2.0954	1.2	(2,0,2)
43.53	2.0792	65.5	(4,-2,0)
43.71	2.0708	2.0	(1,0,3)

Get direct link

Energy Properties

Formation Energy/atom

-0.12507

eV/atom

Energy/atom

-17.94793

eV/atom

Energy above Hull

0.0182

eV/atom

Uncorrected Energy

-17.9479

eV/atom

Volume/atom

17.58

Å³

c/a Ratio

0.6910

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

V · 0.400

Element Family

3d-TM

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

1.2105

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.797%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1477

smaller = more stable mixing

VEC

4.200

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

8.230

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.621

Family

V-rich Multi-Component

Matrix Element

V · 0.400

Related Tasks

Related computation task IDs (5)

aaadpeqr aaadrgek aaaetkml aaafrzbc aaagaewm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-640159

Reference Citation

The crystal structure and related material properties of V2GaSn2 were obtained from the Materials Project database (MP-ID: mp-640159, 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_V2GaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74935759
_cell_length_b   9.74935759
_cell_length_c   6.73699476
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.70065699
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2GaSn2
_chemical_formula_sum   'V8 Ga4 Sn8'
_cell_volume   351.56126833
_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  0.57287828  0.42712172  0.47371390  1.0
  V  V1  1  0.42712172  0.57287828  0.52628610  1.0
  V  V2  1  0.07287828  0.92712172  0.02628610  1.0
  V  V3  1  0.90822513  0.59177487  0.75000000  1.0
  V  V4  1  0.40822513  0.09177487  0.75000000  1.0
  V  V5  1  0.59177487  0.90822513  0.25000000  1.0
  V  V6  1  0.92712172  0.07287828  0.97371390  1.0
  V  V7  1  0.09177487  0.40822513  0.25000000  1.0
  Ga  Ga8  1  0.76733151  0.73266849  0.75000000  1.0
  Ga  Ga9  1  0.73266849  0.76733151  0.25000000  1.0
  Ga  Ga10  1  0.23266849  0.26733151  0.25000000  1.0
  Ga  Ga11  1  0.26733151  0.23266849  0.75000000  1.0
  Sn  Sn12  1  0.72125300  0.27874700  0.42455596  1.0
  Sn  Sn13  1  0.38924568  0.61075432  0.92158091  1.0
  Sn  Sn14  1  0.27874700  0.72125300  0.57544404  1.0
  Sn  Sn15  1  0.22125300  0.77874700  0.07544404  1.0
  Sn  Sn16  1  0.77874700  0.22125300  0.92455596  1.0
  Sn  Sn17  1  0.88924568  0.11075432  0.57841909  1.0
  Sn  Sn18  1  0.61075432  0.38924568  0.07841909  1.0
  Sn  Sn19  1  0.11075432  0.88924568  0.42158091  1.0

Get direct link