V2B3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9208 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

V2B3

MP-ID

mp-9208

Elements

Sites

Density

5.4031

g/cm³

Volume

82.56

Å³

Cell a

2.9729

Cell b

3.0255

Cell c

9.3026

α Angle

99.36

β Angle

90.00

γ Angle

90.00

Space Group

Cmcm

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
9.64	9.1787	4.3	(0,0,1)
29.19	3.0596	8.0	(0,0,3)
29.93	2.9853	33.1	(0,1,0)
31.64	2.8283	1.3	(1,0,1)
33.03	2.7121	3.1	(0,1,1)
33.03	2.7121	3.1	(0,1,-2)
35.99	2.4951	79.9	(1,0,2)
38.56	2.3349	1.2	(0,1,2)
38.56	2.3349	1.2	(0,1,-3)
39.26	2.2947	24.2	(0,0,4)
42.39	2.1322	4.5	(1,0,3)
42.93	2.1065	5.2	(1,1,0)
42.93	2.1065	5.2	(1,1,-1)
45.26	2.0036	100.0	(1,1,1)
45.79	1.9817	32.6	(0,1,3)
45.79	1.9817	32.6	(0,1,-4)
49.65	1.8363	6.7	(1,1,2)
49.65	1.8363	6.7	(1,1,-3)
49.66	1.8358	2.7	(0,0,5)
50.23	1.8165	1.8	(1,0,4)
55.75	1.6489	1.8	(1,1,3)
55.75	1.6489	1.8	(1,1,-4)
59.15	1.5620	17.6	(1,0,5)
61.28	1.5128	16.2	(0,2,-1)

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Energy Properties

Formation Energy/atom

-0.83317

eV/atom

Energy/atom

-10.87682

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-10.8768

eV/atom

Volume/atom

8.26

Å³

c/a Ratio

3.1291

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

279.124

GPa

G_VRH

240.168

GPa

Young's Modulus E

559.914

GPa

Poisson Ratio ν

0.166

Pugh Ratio K/G

1.162

Vickers Hardness Est.

38.424

GPa

Ductility

Ductile

Anisotropy

0.085

Lame λ

119.012

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.600

Element Family

N/A

Solute Fraction

0.400

Interstitial Fraction

0.600

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.667

Family

Binary Alloy

Matrix Element

B · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0850

Homogeneous Poisson ν

0.1660

Debye Temperature

1,080.1

Sound Velocity

7,334.1

m/s

Homogeneity

0.1660

Related Tasks

Related computation task IDs (5)

aaadmqha aaadspds aaaelgry aaaeukcj aaafcask

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9208

Reference Citation

The crystal structure and related material properties of V2B3 were obtained from the Materials Project database (MP-ID: mp-9208, 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_V2B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97291108
_cell_length_b   3.02552524
_cell_length_c   9.30255595
_cell_angle_alpha   99.35887370
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2B3
_chemical_formula_sum   'V4 B6'
_cell_volume   82.55917415
_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
  V  V0  1  0.25000000  0.29477725  0.58955450  1.0
  V  V1  1  0.75000000  0.70522275  0.41044550  1.0
  V  V2  1  0.25000000  0.57067312  0.14134425  1.0
  V  V3  1  0.75000000  0.42932688  0.85865575  1.0
  B  B4  1  0.25000000  0.16892867  0.33785734  1.0
  B  B5  1  0.75000000  0.83107133  0.66214266  1.0
  B  B6  1  0.25000000  0.88230054  0.76459908  1.0
  B  B7  1  0.75000000  0.11769946  0.23540092  1.0
  B  B8  1  0.75000000  0.02364477  0.04728854  1.0
  B  B9  1  0.25000000  0.97635523  0.95271146  1.0

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