BeVCo2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-866288 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

BeVCo2

MP-ID

mp-866288

Elements

Sites

Density

7.2191

g/cm³

Volume

40.90

Å³

Cell a

3.8675

Cell b

3.8675

Cell c

3.8675

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 19)

2θ	d (Å)	I	hkl
28.26	3.1578	8.6	(1,1,1)
28.26	3.1577	25.9	(1,0,0)
32.75	2.7347	41.3	(1,1,0)
46.99	1.9337	100.0	(2,1,1)
46.99	1.9337	100.0	(1,0,-1)
55.74	1.6491	3.4	(2,2,1)
55.74	1.6491	6.7	(2,1,0)
55.74	1.6491	3.4	(1,1,-1)
58.45	1.5789	2.4	(2,2,2)
58.46	1.5789	7.3	(2,0,0)
68.64	1.3673	29.1	(2,2,0)
75.81	1.2548	1.2	(3,2,2)
75.82	1.2548	1.2	(3,1,1)
75.82	1.2547	2.4	(2,0,-1)
78.15	1.2230	5.7	(3,2,1)
78.15	1.2230	5.7	(2,1,-1)
87.34	1.1165	14.6	(3,3,2)
87.34	1.1164	29.2	(3,1,0)
87.34	1.1164	14.6	(2,-1,-1)

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Energy Properties

Formation Energy/atom

-0.28041

eV/atom

Energy/atom

-7.05294

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.4681

eV/atom

Volume/atom

10.23

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.9993

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.024430

μB/Å³

Elastic Properties

K_VRH

44.835

GPa

G_VRH

57.185

GPa

Young's Modulus E

120.377

GPa

Poisson Ratio ν

0.053

Pugh Ratio K/G

0.784

Vickers Hardness Est.

25.358

GPa

Ductility

Ductile

Anisotropy

5.886

Lame λ

6.712

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 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

0.6437

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.324%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1416

smaller = more stable mixing

VEC

6.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-24.438

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

Co-based Alloy

Matrix Element

Co · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

5.8860

Homogeneous Poisson ν

0.0530

Debye Temperature

420.2

Sound Velocity

3,064.3

m/s

Homogeneity

0.0530

Related Tasks

Related computation task IDs (5)

aaachzwt aaadwogs aaaemksp aaaettvy aaafckjn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-866288

Reference Citation

The crystal structure and related material properties of BeVCo2 were obtained from the Materials Project database (MP-ID: mp-866288, 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_BeVCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86747325
_cell_length_b   3.86747325
_cell_length_c   3.86747325
_cell_angle_alpha   59.99811032
_cell_angle_beta   59.99811032
_cell_angle_gamma   59.99811032
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVCo2
_chemical_formula_sum   'Be1 V1 Co2'
_cell_volume   40.90235842
_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
  Be  Be0  1  0.24999801  0.24999801  0.24999801  1.0
  V  V1  1  0.75000154  0.75000154  0.75000154  1.0
  Co  Co2  1  0.50002725  0.50002725  0.50002725  1.0
  Co  Co3  1  0.99997420  0.99997420  0.99997420  1.0

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