V2CrOs

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-865485 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

V2CrOs

MP-ID

mp-865485

Elements

Sites

Density

10.7672

g/cm³

Volume

53.07

Å³

Cell a

4.2181

Cell b

4.2181

Cell c

4.2181

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
25.87	3.4441	38.0	(1,1,1)
29.96	2.9827	22.3	(1,1,0)
42.88	2.1091	100.0	(2,1,1)
50.76	1.7986	20.0	(2,2,1)
53.19	1.7220	6.4	(2,2,2)
62.25	1.4913	15.8	(2,2,0)
68.57	1.3685	8.5	(3,2,2)
70.61	1.3339	8.5	(3,2,1)
78.56	1.2177	31.6	(3,3,2)
84.37	1.1480	6.8	(3,3,3)

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Energy Properties

Formation Energy/atom

-0.32475

eV/atom

Energy/atom

-24.38418

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.3842

eV/atom

Volume/atom

13.27

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0774

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.001460

μB/Å³

Elastic Properties

K_VRH

261.007

GPa

G_VRH

118.265

GPa

Young's Modulus E

308.239

GPa

Poisson Ratio ν

0.303

Pugh Ratio K/G

2.207

Vickers Hardness Est.

9.924

GPa

Ductility

Brittle

Anisotropy

0.288

Lame λ

182.164

GPa

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

1.0365

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.089%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2428

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-20.542

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.674

Family

V-rich Multi-Component

Matrix Element

V · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2880

Homogeneous Poisson ν

0.3030

Debye Temperature

465.6

Sound Velocity

3,703.4

m/s

Homogeneity

0.3030

Related Tasks

Related computation task IDs (5)

aaachxma aaadwlqs aaaehfbd aaaetulm aaafbrfa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-865485

Reference Citation

The crystal structure and related material properties of V2CrOs were obtained from the Materials Project database (MP-ID: mp-865485, 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_V2CrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21811998
_cell_length_b   4.21811998
_cell_length_c   4.21811998
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrOs
_chemical_formula_sum   'V2 Cr1 Os1'
_cell_volume   53.06910792
_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  0.50000100  0.50000100  0.50000100  1.0
  V  V1  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Cr  Cr2  1  0.25000000  0.25000000  0.25000000  1.0
  Os  Os3  1  0.75000100  0.75000100  0.75000100  1.0

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