Be2V

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-11281 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Be2V

MP-ID

mp-11281

Elements

Sites

Density

3.9535

g/cm³

Volume

115.87

Å³

Cell a

4.3615

Cell b

4.3615

Cell c

7.0332

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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 24)

2θ	d (Å)	I	hkl
23.55	3.7772	34.5	(1,0,-1,0)
23.55	3.7772	69.0	(1,-1,0,0)
25.33	3.5166	49.3	(0,0,0,2)
26.79	3.3277	26.0	(1,0,-1,1)
26.79	3.3277	26.0	(0,1,-1,1)
26.79	3.3277	26.0	(1,-1,0,1)
34.86	2.5738	12.7	(1,0,-1,2)
34.86	2.5738	25.5	(1,-1,0,2)
41.40	2.1808	87.1	(2,-1,-1,0)
41.40	2.1808	43.5	(1,-2,1,0)
45.54	1.9919	50.0	(1,0,-1,3)
45.54	1.9919	100.0	(1,-1,0,3)
48.18	1.8886	7.5	(2,0,-2,0)
48.18	1.8886	15.1	(2,-2,0,0)
49.16	1.8533	30.8	(1,1,-2,2)
49.16	1.8533	30.8	(2,-1,-1,2)
49.16	1.8533	30.8	(1,-2,1,2)
50.00	1.8240	12.3	(2,0,-2,1)
50.01	1.8240	24.6	(2,-2,0,1)
55.21	1.6638	1.1	(2,0,-2,2)
55.21	1.6638	2.3	(2,-2,0,2)
57.84	1.5941	1.2	(1,-1,0,4)
63.23	1.4707	9.7	(2,0,-2,3)
63.23	1.4707	19.3	(2,-2,0,3)

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Energy Properties

Formation Energy/atom

-0.21818

eV/atom

Energy/atom

-5.73909

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-7.8273

eV/atom

Volume/atom

9.66

Å³

c/a Ratio

1.6126

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0089

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000080

μB/Å³

Elastic Properties

K_VRH

158.028

GPa

G_VRH

137.179

GPa

Young's Modulus E

319.180

GPa

Poisson Ratio ν

0.163

Pugh Ratio K/G

1.152

Vickers Hardness Est.

27.161

GPa

Ductility

Ductile

Anisotropy

0.011

Lame λ

66.575

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Be · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.703

Family

Binary Alloy

Matrix Element

Be · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0110

Homogeneous Poisson ν

0.1630

Debye Temperature

905.5

Sound Velocity

6,478.3

m/s

Homogeneity

0.1630

Related Tasks

Related computation task IDs (5)

aaadnemt aaadsycj aaaeljbi aaaeubqq aaafcrxh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-11281

Reference Citation

The crystal structure and related material properties of Be2V were obtained from the Materials Project database (MP-ID: mp-11281, 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_Be2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36153826
_cell_length_b   4.36152754
_cell_length_c   7.03320941
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99991608
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2V
_chemical_formula_sum   'Be8 V4'
_cell_volume   115.86782461
_cell_formula_units_Z   4
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
  Be  Be0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Be  Be1  1  -0.00000000  0.00000000  0.50000000  1.0
  Be  Be2  1  0.82860543  0.65721086  0.24999645  1.0
  Be  Be3  1  0.17139457  0.82860643  0.75000355  1.0
  Be  Be4  1  0.65720986  0.82860643  0.75000355  1.0
  Be  Be5  1  0.34279014  0.17139357  0.24999645  1.0
  Be  Be6  1  0.82860543  0.17139357  0.24999645  1.0
  Be  Be7  1  0.17139457  0.34278914  0.75000355  1.0
  V  V8  1  0.33333300  0.66666700  0.06711126  1.0
  V  V9  1  0.66666700  0.33333300  0.56716174  1.0
  V  V10  1  0.66666700  0.33333300  0.93288874  1.0
  V  V11  1  0.33333300  0.66666700  0.43283826  1.0

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