Y(VSn)6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1104337 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

Y(VSn)6

MP-ID

mp-1104337

Elements

Sites

Density

7.6609

g/cm³

Volume

239.91

Å³

Cell a

5.4788

Cell b

5.4788

Cell c

9.2287

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6/mmm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
19.24	4.6144	6.0	(0,0,0,2)
26.95	3.3080	10.1	(1,0,-1,2)
26.95	3.3080	20.2	(1,-1,0,2)
29.03	3.0762	13.9	(0,0,0,3)
32.69	2.7394	100.0	(2,-1,-1,0)
32.69	2.7394	50.0	(1,-2,1,0)
34.76	2.5812	18.6	(1,0,-1,3)
34.76	2.5812	37.1	(1,-1,0,3)
37.93	2.3724	9.8	(2,0,-2,0)
37.93	2.3724	19.6	(2,-2,0,0)
38.21	2.3556	75.8	(2,-1,-1,2)
38.21	2.3556	37.9	(1,-2,1,2)
39.04	2.3072	35.8	(0,0,0,4)
42.86	2.1099	31.1	(2,0,-2,2)
42.86	2.1099	62.2	(2,-2,0,2)
43.62	2.0749	33.2	(1,0,-1,4)
44.27	2.0458	19.0	(2,-1,-1,3)
44.27	2.0458	9.5	(1,-2,1,3)
48.46	1.8786	6.9	(2,0,-2,3)
48.46	1.8786	13.8	(2,-2,0,3)
51.81	1.7647	15.5	(2,-1,-1,4)
51.81	1.7647	7.8	(1,-2,1,4)
54.93	1.6716	3.4	(3,-1,-2,2)
54.93	1.6716	3.4	(3,-2,-1,2)

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Energy Properties

Formation Energy/atom

-0.22591

eV/atom

Energy/atom

-6.76976

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.7438

eV/atom

Volume/atom

18.45

Å³

c/a Ratio

1.6844

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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 · 0.462

Element Family

3d-TM

Solute Fraction

0.538

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9110

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.5742

J/mol·K

Ω Parameter

2.5701

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.877%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2205

smaller = more stable mixing

VEC

4.385

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

4.064

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8292

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.703

Family

V-rich Multi-Component

Matrix Element

V · 0.462

Related Tasks

Related computation task IDs (5)

aaadniei aaadtawx aaaekors aaaeudkm aaafjfan

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1104337

Reference Citation

The crystal structure and related material properties of Y(VSn)6 were obtained from the Materials Project database (MP-ID: mp-1104337, 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_Y(VSn)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47883331
_cell_length_b   5.47882900
_cell_length_c   9.22869354
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99997509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(VSn)6
_chemical_formula_sum   'Y1 V6 Sn6'
_cell_volume   239.90914276
_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
  Y  Y0  1  -0.00000000  0.00000000  -0.00000000  1.0
  V  V1  1  0.50000000  0.50000000  0.75138818  1.0
  V  V2  1  0.50000000  0.00000000  0.75138818  1.0
  V  V3  1  -0.00000000  0.50000000  0.75138718  1.0
  V  V4  1  0.50000000  0.50000000  0.24861182  1.0
  V  V5  1  0.50000000  0.00000000  0.24861182  1.0
  V  V6  1  -0.00000000  0.50000000  0.24861282  1.0
  Sn  Sn7  1  -0.00000000  0.00000000  0.67028839  1.0
  Sn  Sn8  1  -0.00000000  -0.00000000  0.32971161  1.0
  Sn  Sn9  1  0.66666800  0.33333400  0.50000000  1.0
  Sn  Sn10  1  0.33333200  0.66666600  0.50000000  1.0
  Sn  Sn11  1  0.66666900  0.33333400  -0.00000000  1.0
  Sn  Sn12  1  0.33333100  0.66666600  -0.00000000  1.0

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