Al4V10Zn

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3295504 · Space group: P4_2/mnm (#136)

Materials Project API

Basic Information

Formula

Al4V10Zn

MP-ID

mp-3295504

Elements

Sites

Density

5.5228

g/cm³

Volume

410.57

Å³

Cell a

9.3115

Cell b

9.3115

Cell c

4.7353

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4_2/mnm

Point Group

4/mmm

Crystal System

Tetragonal

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
13.45	6.5842	2.2	(1,1,0)
19.06	4.6558	3.0	(2,0,0)
21.34	4.1642	4.2	(2,1,0)
27.09	3.2921	7.2	(2,2,0)
28.54	3.1271	13.9	(2,1,1)
34.74	2.5826	3.0	(3,2,0)
35.91	2.5005	12.9	(3,1,1)
38.00	2.3676	14.5	(0,0,2)
39.92	2.2584	68.5	(4,1,0)
40.49	2.2280	1.1	(1,1,2)
41.13	2.1947	45.0	(3,3,0)
42.85	2.1104	47.0	(2,0,2)
43.99	2.0582	53.5	(2,1,2)
44.44	2.0384	100.0	(4,1,1)
45.55	1.9913	30.0	(3,3,1)
47.29	1.9222	2.8	(2,2,2)
49.39	1.8451	14.5	(3,1,2)
49.94	1.8261	1.9	(5,1,0)
52.82	1.7331	4.4	(5,0,1)
56.67	1.6242	1.3	(5,2,1)
59.57	1.5519	1.0	(6,0,0)
63.56	1.4638	4.2	(5,0,2)
63.91	1.4566	2.7	(6,1,1)
64.03	1.4542	1.2	(5,4,0)

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Energy Properties

Formation Energy/atom

-0.20316

eV/atom

Energy/atom

-11.98547

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.9855

eV/atom

Volume/atom

13.69

Å³

c/a Ratio

0.5085

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.2029

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.005370

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

0.8033

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6788

J/mol·K

Ω Parameter

1.0696

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.918%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0108

smaller = more stable mixing

VEC

4.933

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.930

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7312

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnae

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295504

Reference Citation

The crystal structure and related material properties of Al4V10Zn were obtained from the Materials Project database (MP-ID: mp-3295504, 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_Al4V10Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31151088
_cell_length_b   9.31151088
_cell_length_c   4.73526754
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4V10Zn
_chemical_formula_sum   'Al8 V20 Zn2'
_cell_volume   410.56774899
_cell_formula_units_Z   2
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
  Al  Al0  1  0.26267710  0.93568483  0.00000000  1.0
  Al  Al1  1  0.43568483  0.23732290  0.50000000  1.0
  Al  Al2  1  0.56431517  0.76267710  0.50000000  1.0
  Al  Al3  1  0.73732290  0.06431517  0.00000000  1.0
  Al  Al4  1  0.23732290  0.43568483  0.50000000  1.0
  Al  Al5  1  0.76267710  0.56431517  0.50000000  1.0
  Al  Al6  1  0.93568483  0.26267710  0.00000000  1.0
  Al  Al7  1  0.06431517  0.73732290  0.00000000  1.0
  V  V8  1  0.39710740  0.39710740  0.00000000  1.0
  V  V9  1  0.89710740  0.10289260  0.50000000  1.0
  V  V10  1  0.10289260  0.89710740  0.50000000  1.0
  V  V11  1  0.60289260  0.60289260  0.00000000  1.0
  V  V12  1  0.12715770  0.46577473  0.00000000  1.0
  V  V13  1  0.96577473  0.37284230  0.50000000  1.0
  V  V14  1  0.03422527  0.62715770  0.50000000  1.0
  V  V15  1  0.87284230  0.53422527  0.00000000  1.0
  V  V16  1  0.37284230  0.96577473  0.50000000  1.0
  V  V17  1  0.62715770  0.03422527  0.50000000  1.0
  V  V18  1  0.46577473  0.12715770  0.00000000  1.0
  V  V19  1  0.53422527  0.87284230  0.00000000  1.0
  V  V20  1  0.18245771  0.18245771  0.25585790  1.0
  V  V21  1  0.68245771  0.31754229  0.75585790  1.0
  V  V22  1  0.31754229  0.68245771  0.75585790  1.0
  V  V23  1  0.81754229  0.81754229  0.25585790  1.0
  V  V24  1  0.31754229  0.68245771  0.24414210  1.0
  V  V25  1  0.68245771  0.31754229  0.24414210  1.0
  V  V26  1  0.18245771  0.18245771  0.74414210  1.0
  V  V27  1  0.81754229  0.81754229  0.74414210  1.0
  Zn  Zn28  1  0.00000000  0.00000000  0.00000000  1.0
  Zn  Zn29  1  0.50000000  0.50000000  0.50000000  1.0

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