V5Sb4

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30536 · Space group: I4/m (#87)

Materials Project API

Basic Information

Formula

V5Sb4

MP-ID

mp-30536

Elements

Sites

Density

7.3068

g/cm³

Volume

168.57

Å³

Cell a

3.4678

Cell b

7.1834

Cell c

7.1855

α Angle

86.63

β Angle

76.04

γ Angle

76.03

Space Group

I4/m

Point Group

4/m

Crystal System

Tetragonal

Bravais Lattice

Stability

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
17.99	4.9313	3.2	(0,1,1)
18.00	4.9287	3.2	(0,1,-1)
25.55	3.4866	42.6	(0,0,2)
25.56	3.4855	42.8	(0,2,0)
27.26	3.2715	4.7	(1,1,1)
27.26	3.2715	4.7	(1,0,0)
27.26	3.2713	9.3	(1,1,0)
28.62	3.1190	5.9	(0,1,2)
28.63	3.1184	34.4	(0,2,1)
28.63	3.1176	34.4	(0,1,-2)
28.64	3.1171	5.9	(0,2,-1)
32.85	2.7261	50.1	(1,1,2)
32.85	2.7261	50.1	(1,0,-1)
32.86	2.7259	4.1	(1,2,1)
32.86	2.7259	4.1	(1,-1,0)
32.86	2.7258	8.3	(1,0,2)
32.86	2.7255	100.0	(1,2,0)
36.44	2.4657	1.1	(0,2,2)
36.46	2.4643	1.1	(0,2,-2)
37.70	2.3858	82.4	(1,2,2)
37.72	2.3851	82.8	(1,2,-1)
38.74	2.3244	12.9	(0,0,3)
38.75	2.3237	13.1	(0,3,0)
40.92	2.2054	60.4	(0,1,3)

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Energy Properties

Formation Energy/atom

-0.16644

eV/atom

Energy/atom

-19.41901

eV/atom

Energy above Hull

0.0286

eV/atom

Uncorrected Energy

-19.4190

eV/atom

Volume/atom

18.73

Å³

c/a Ratio

2.0721

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.1977

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.007110

μB/Å³

Elastic Properties

K_VRH

90.199

GPa

G_VRH

52.070

GPa

Young's Modulus E

131.002

GPa

Poisson Ratio ν

0.258

Pugh Ratio K/G

1.732

Vickers Hardness Est.

7.618

GPa

Ductility

Ductile

Anisotropy

1.107

Lame λ

55.486

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

V · 0.556

Element Family

N/A

Solute Fraction

0.444

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.792

Family

Binary Alloy

Matrix Element

V · 0.556

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.1070

Homogeneous Poisson ν

0.2580

Debye Temperature

332.5

Sound Velocity

2,966.4

m/s

Homogeneity

0.2580

Related Tasks

Related computation task IDs (5)

aaadmptp aaadsuzl aaaekvuz aaaercmj aaafbyju

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30536

Reference Citation

The crystal structure and related material properties of V5Sb4 were obtained from the Materials Project database (MP-ID: mp-30536, 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_V5Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46777800
_cell_length_b   7.18342324
_cell_length_c   7.18546682
_cell_angle_alpha   86.63159903
_cell_angle_beta   76.03641682
_cell_angle_gamma   76.03236494
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Sb4
_chemical_formula_sum   'V5 Sb4'
_cell_volume   168.56822955
_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  0.00000000  0.00000000  -0.00000000  1.0
  V  V1  1  0.31829894  0.07006008  0.29334103  1.0
  V  V2  1  0.61148483  0.70670918  0.07032217  1.0
  V  V3  1  0.38851517  0.29329082  0.92967783  1.0
  V  V4  1  0.68170106  0.92993992  0.70665897  1.0
  Sb  Sb5  1  0.06493855  0.22307828  0.64704462  1.0
  Sb  Sb6  1  0.71217864  0.35266263  0.22298008  1.0
  Sb  Sb7  1  0.28782136  0.64733737  0.77701992  1.0
  Sb  Sb8  1  0.93506145  0.77692172  0.35295538  1.0

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