V2CrTe4

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025278 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

V2CrTe4

MP-ID

mp-1025278

Elements

Sites

Density

6.4778

g/cm³

Volume

170.28

Å³

Cell a

7.3332

Cell b

7.3332

Cell c

6.8270

α Angle

64.54

β Angle

64.54

γ Angle

31.22

Space Group

C2/m

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
14.01	6.3199	4.0	(1,1,0)
14.50	6.1090	1.5	(0,0,1)
15.01	5.9021	1.7	(1,1,1)
23.62	3.7673	5.9	(1,0,0)
25.30	3.5203	1.8	(2,2,1)
26.08	3.4161	9.0	(1,0,1)
26.13	3.4106	1.2	(1,1,2)
28.24	3.1599	26.4	(2,2,0)
29.24	3.0545	44.2	(0,0,2)
29.47	3.0315	100.0	(1,0,-1)
29.99	2.9796	63.3	(2,1,1)
30.29	2.9511	53.5	(2,2,2)
31.05	2.8804	11.2	(2,1,0)
35.73	2.5131	4.0	(2,1,2)
38.01	2.3671	12.4	(1,1,-2)
38.40	2.3439	38.7	(2,1,-1)
38.48	2.3392	8.5	(3,3,1)
39.23	2.2962	36.7	(3,2,1)
39.67	2.2718	12.9	(3,3,2)
40.42	2.2318	5.6	(1,0,-2)
40.60	2.2219	2.2	(2,2,3)
41.61	2.1707	2.2	(3,2,2)
42.47	2.1287	2.8	(3,2,0)
44.49	2.0363	3.5	(0,0,3)

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Energy Properties

Formation Energy/atom

-0.50936

eV/atom

Energy/atom

-6.27994

eV/atom

Energy above Hull

0.0263

eV/atom

Uncorrected Energy

-6.0388

eV/atom

Volume/atom

24.33

Å³

c/a Ratio

0.9310

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.0006

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.046980

μB/Å³

Elastic Properties

K_VRH

53.889

GPa

G_VRH

29.918

GPa

Young's Modulus E

75.738

GPa

Poisson Ratio ν

0.266

Pugh Ratio K/G

1.801

Vickers Hardness Est.

4.336

GPa

Ductility

Brittle

Anisotropy

0.375

Lame λ

33.944

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Te · 0.571

Element Family

Metalloid-Nonmetal

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

32.8040

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.200%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2278

smaller = more stable mixing

VEC

4.571

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.327

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.545

Family

Te-rich Multi-Component

Matrix Element

Te · 0.571

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3750

Homogeneous Poisson ν

0.2660

Debye Temperature

399.8

Sound Velocity

2,390.4

m/s

Homogeneity

0.2660

Related Tasks

Related computation task IDs (5)

aaadodsw aaadvqmf aaadzzvl aaaeqefa aaafbbkf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025278

Reference Citation

The crystal structure and related material properties of V2CrTe4 were obtained from the Materials Project database (MP-ID: mp-1025278, 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_V2CrTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33319943
_cell_length_b   7.33319943
_cell_length_c   6.82702994
_cell_angle_alpha   64.53556804
_cell_angle_beta   64.53556804
_cell_angle_gamma   31.22109709
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrTe4
_chemical_formula_sum   'V2 Cr1 Te4'
_cell_volume   170.28371016
_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  0.74271900  0.74271900  0.29965500  1.0
  V  V1  1  0.25728100  0.25728100  0.70034500  1.0
  Cr  Cr2  1  0.00000000  0.00000000  0.00000000  1.0
  Te  Te3  1  0.88884800  0.88884800  0.45233400  1.0
  Te  Te4  1  0.11115200  0.11115200  0.54766600  1.0
  Te  Te5  1  0.63967900  0.63967900  0.01871400  1.0
  Te  Te6  1  0.36032100  0.36032100  0.98128600  1.0

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