V2ReTc

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-981377 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

V2ReTc

MP-ID

mp-981377

Elements

Sites

Density

11.6523

g/cm³

Volume

55.02

Å³

Cell a

4.2692

Cell b

4.2692

Cell c

4.2692

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

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 10)

2θ	d (Å)	I	hkl
25.55	3.4858	11.4	(1,1,1)
29.59	3.0188	30.0	(1,1,0)
42.34	2.1346	100.0	(2,1,1)
50.11	1.8204	6.1	(2,2,1)
52.50	1.7429	8.7	(2,2,2)
61.43	1.5094	16.1	(2,2,0)
67.64	1.3851	2.6	(3,2,2)
69.64	1.3500	11.6	(3,2,1)
77.44	1.2324	32.4	(3,3,2)
83.13	1.1619	2.1	(3,3,3)

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Energy Properties

Formation Energy/atom

-0.44066

eV/atom

Energy/atom

-27.07926

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.0793

eV/atom

Volume/atom

13.76

Å³

c/a Ratio

1.0000

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 · 0.500

Element Family

3d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

44.3233

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

0.907%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1350

smaller = more stable mixing

VEC

5.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.634

Family

V-rich Multi-Component

Matrix Element

V · 0.500

Related Tasks

Related computation task IDs (5)

aaadnpwn aaadwjkv aaaegssf aaaetrnk aaafxbrq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-981377

Reference Citation

The crystal structure and related material properties of V2ReTc were obtained from the Materials Project database (MP-ID: mp-981377, 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

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Raw CIF Data

# generated using pymatgen
data_V2ReTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26920337
_cell_length_b   4.26920337
_cell_length_c   4.26920337
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2ReTc
_chemical_formula_sum   'V2 Re1 Tc1'
_cell_volume   55.02062654
_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
  V  V1  1  0.50000000  0.50000000  0.50000000  1.0
  Re  Re2  1  0.25000100  0.25000100  0.25000100  1.0
  Tc  Tc3  1  0.75000000  0.75000000  0.75000000  1.0

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