V20Ga9Co

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3295634 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

V20Ga9Co

MP-ID

mp-3295634

Elements

Sites

Density

7.0455

g/cm³

Volume

401.91

Å³

Cell a

9.2226

Cell b

9.2226

Cell c

4.7253

α Angle

90.00

β Angle

90.00

γ Angle

90.27

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
21.13	4.2054	25.5	(1,0,1)
23.23	3.8294	4.8	(1,-1,1)
23.27	3.8233	4.4	(1,1,1)
27.42	3.2531	1.1	(2,2,0)
28.70	3.1106	1.9	(2,-1,1)
28.76	3.1040	1.6	(2,1,1)
33.44	2.6795	2.1	(2,2,1)
34.82	2.5768	1.3	(3,0,1)
35.16	2.5524	1.6	(3,2,0)
36.23	2.4793	3.0	(3,1,1)
38.09	2.3626	50.7	(0,0,2)
40.28	2.2392	75.0	(4,-1,0)
40.37	2.2343	74.7	(4,1,0)
40.60	2.2219	1.3	(1,-1,2)
40.63	2.2207	1.7	(1,1,2)
41.44	2.1788	28.9	(3,-3,0)
41.64	2.1687	31.5	(3,3,0)
43.02	2.1027	46.3	(2,0,2)
43.82	2.0661	2.3	(4,-2,0)
43.99	2.0584	2.0	(4,2,0)
44.16	2.0510	56.5	(2,-1,2)
44.20	2.0492	54.3	(2,1,2)
44.79	2.0235	100.0	(4,-1,1)
44.87	2.0199	89.8	(4,1,1)

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Energy Properties

Formation Energy/atom

-0.26498

eV/atom

Energy/atom

-13.53200

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.5320

eV/atom

Volume/atom

13.40

Å³

c/a Ratio

0.5124

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.4166

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.006010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

V · 0.667

Element Family

3d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7449

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.1929

J/mol·K

Ω Parameter

8.5611

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.293%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0890

smaller = more stable mixing

VEC

4.533

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.161

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6780

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnfe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295634

Reference Citation

The crystal structure and related material properties of V20Ga9Co were obtained from the Materials Project database (MP-ID: mp-3295634, 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_V20Ga9Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22260791
_cell_length_b   9.22260796
_cell_length_c   4.72525867
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.26631455
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V20Ga9Co
_chemical_formula_sum   'V20 Ga9 Co1'
_cell_volume   401.90960877
_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  0.39708487  0.39708487  0.00000000  1.0
  V  V1  1  0.90148161  0.09851839  0.50000000  1.0
  V  V2  1  0.09851839  0.90148161  0.50000000  1.0
  V  V3  1  0.60291513  0.60291513  0.00000000  1.0
  V  V4  1  0.12758964  0.46823451  0.00000000  1.0
  V  V5  1  0.96251547  0.37211639  0.50000000  1.0
  V  V6  1  0.03748453  0.62788361  0.50000000  1.0
  V  V7  1  0.87241036  0.53176549  0.00000000  1.0
  V  V8  1  0.37211639  0.96251547  0.50000000  1.0
  V  V9  1  0.62788361  0.03748453  0.50000000  1.0
  V  V10  1  0.46823451  0.12758964  0.00000000  1.0
  V  V11  1  0.53176549  0.87241036  0.00000000  1.0
  V  V12  1  0.17806483  0.17806483  0.25199244  1.0
  V  V13  1  0.68138297  0.31861703  0.75226874  1.0
  V  V14  1  0.31861703  0.68138297  0.75226874  1.0
  V  V15  1  0.82193517  0.82193517  0.25199244  1.0
  V  V16  1  0.31861703  0.68138297  0.24773126  1.0
  V  V17  1  0.68138297  0.31861703  0.24773126  1.0
  V  V18  1  0.17806483  0.17806483  0.74800756  1.0
  V  V19  1  0.82193517  0.82193517  0.74800756  1.0
  Ga  Ga20  1  0.50000000  0.50000000  0.50000000  1.0
  Ga  Ga21  1  0.25958769  0.93654831  0.00000000  1.0
  Ga  Ga22  1  0.43198561  0.23308886  0.50000000  1.0
  Ga  Ga23  1  0.56801439  0.76691114  0.50000000  1.0
  Ga  Ga24  1  0.74041231  0.06345169  0.00000000  1.0
  Ga  Ga25  1  0.23308886  0.43198561  0.50000000  1.0
  Ga  Ga26  1  0.76691114  0.56801439  0.50000000  1.0
  Ga  Ga27  1  0.93654831  0.25958769  0.00000000  1.0
  Ga  Ga28  1  0.06345169  0.74041231  0.00000000  1.0
  Co  Co29  1  0.00000000  0.00000000  0.00000000  1.0

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