Be3V2Ge

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3201374 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Be3V2Ge

MP-ID

mp-3201374

Elements

Sites

Density

5.3068

g/cm³

Volume

126.14

Å³

Cell a

4.4378

Cell b

4.4378

Cell c

7.3958

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
23.14	3.8432	10.9	(1,0,-1,0)
24.07	3.6979	77.1	(0,0,0,2)
26.13	3.4103	6.7	(1,-1,0,1)
26.13	3.4103	13.3	(1,0,-1,1)
33.63	2.6647	19.6	(1,0,-1,2)
40.66	2.2189	35.3	(1,-2,1,0)
40.66	2.2189	70.6	(2,-1,-1,0)
43.62	2.0751	45.0	(1,0,-1,3)
47.81	1.9027	100.0	(2,-1,-1,2)
48.98	1.8599	10.0	(2,0,-2,1)
49.28	1.8490	5.1	(0,0,0,4)
53.76	1.7051	8.5	(2,0,-2,2)
55.12	1.6662	19.4	(1,0,-1,4)
61.15	1.5156	5.6	(2,-2,0,3)
61.15	1.5156	2.8	(2,0,-2,3)
64.11	1.4526	1.1	(3,-2,-1,0)
64.11	1.4526	1.1	(3,-1,-2,0)
65.48	1.4254	3.0	(3,-1,-2,1)
65.74	1.4205	6.9	(2,-1,-1,4)
67.90	1.3805	6.7	(1,0,-1,5)
69.53	1.3520	3.6	(3,-1,-2,2)
70.71	1.3324	6.9	(2,0,-2,4)
73.99	1.2811	10.6	(3,-3,0,0)
73.99	1.2811	5.3	(3,0,-3,0)

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Energy Properties

Formation Energy/atom

-0.33824

eV/atom

Energy/atom

-9.51575

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-9.5158

eV/atom

Volume/atom

10.51

Å³

c/a Ratio

1.6666

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Be · 0.500

Element Family

Alkali-AlkEarth

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

1.1515

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.200%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1573

smaller = more stable mixing

VEC

3.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.484

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.518

Family

Be-rich Multi-Component

Matrix Element

Be · 0.500

Related Tasks

Related computation task IDs (1)

aaahadtu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3201374

Reference Citation

The crystal structure and related material properties of Be3V2Ge were obtained from the Materials Project database (MP-ID: mp-3201374, 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_Be3V2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43778198
_cell_length_b   4.43778227
_cell_length_c   7.39583236
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000526
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3V2Ge
_chemical_formula_sum   'Be6 V4 Ge2'
_cell_volume   126.13906861
_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
  Be  Be0  1  0.82269894  0.64539689  0.25000000  1.0
  Be  Be1  1  0.17730106  0.82269894  0.75000000  1.0
  Be  Be2  1  0.64539689  0.82269894  0.75000000  1.0
  Be  Be3  1  0.35460311  0.17730106  0.25000000  1.0
  Be  Be4  1  0.82269894  0.17730106  0.25000000  1.0
  Be  Be5  1  0.17730106  0.35460311  0.75000000  1.0
  V  V6  1  0.33333300  0.66666700  0.06545431  1.0
  V  V7  1  0.66666700  0.33333300  0.56545431  1.0
  V  V8  1  0.66666700  0.33333300  0.93454569  1.0
  V  V9  1  0.33333300  0.66666700  0.43454569  1.0
  Ge  Ge10  1  0.00000000  0.00000000  0.00000000  1.0
  Ge  Ge11  1  0.00000000  0.00000000  0.50000000  1.0

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