VCo2Ge

高熵材料 HEA 传统材料 TRA 弹性数据 ELA

MP-ID: mp-865465 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

VCo2Ge

MP-ID

mp-865465

Elements

Sites

Density

8.5412

g/cm³

Volume

46.94

Å³

Cell a

4.0490

Cell b

4.0490

Cell c

4.0490

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

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 9)

2θ	d (Å)	I	hkl
26.97	3.3061	3.8	(1,0,0)
26.97	3.3059	1.3	(1,1,1)
44.76	2.0246	100.0	(1,0,-1)
44.77	2.0245	100.0	(2,1,1)
53.04	1.7265	1.5	(2,1,0)
65.17	1.4316	30.1	(2,2,0)
82.53	1.1689	14.9	(2,-1,-1)
82.53	1.1689	29.8	(3,1,0)
82.54	1.1688	14.9	(3,3,2)

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Energy Properties

Formation Energy/atom

-0.23271

eV/atom

Energy/atom

-7.22615

eV/atom

Energy above Hull

0.0041

eV/atom

Uncorrected Energy

-13.8661

eV/atom

Volume/atom

11.74

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.9998

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.063910

μB/Å³

Elastic Properties

K_VRH

197.789

GPa

G_VRH

81.715

GPa

Young's Modulus E

215.472

GPa

Poisson Ratio ν

0.318

Pugh Ratio K/G

2.420

Vickers Hardness Est.

GPa

Ductility

Brittle

Anisotropy

1.217

Lame λ

143.312

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.500

Element Family

3d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

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

2.4469

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.063%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1377

smaller = more stable mixing

VEC

6.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.121

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (5)

aaachxln aaadwowz aaaehfbh aaaettyn aaafxbxp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-865465

Reference Citation

The crystal structure and related material properties of VCo2Ge were obtained from the Materials Project database (MP-ID: mp-865465, 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_VCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04895463
_cell_length_b   4.04895463
_cell_length_c   4.04895463
_cell_angle_alpha   60.00395170
_cell_angle_beta   60.00395170
_cell_angle_gamma   60.00395170
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCo2Ge
_chemical_formula_sum   'V1 Co2 Ge1'
_cell_volume   46.94103269
_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  0.75000100  0.75000100  0.75000100  1.0
  Co  Co1  1  0.49999821  0.49999821  0.49999821  1.0
  Co  Co2  1  0.00000179  0.00000179  0.00000179  1.0
  Ge  Ge3  1  0.25000100  0.25000100  0.25000100  1.0

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