BeCo2Ge

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-862706 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

BeCo2Ge

MP-ID

mp-862706

Elements

Sites

Density

8.2402

g/cm³

Volume

40.21

Å³

Cell a

3.8454

Cell b

3.8454

Cell c

3.8454

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

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 9)

2θ	d (Å)	I	hkl
28.43	3.1397	31.3	(1,1,1)
32.94	2.7191	6.3	(1,1,0)
47.28	1.9227	100.0	(2,1,1)
56.09	1.6397	13.9	(2,2,1)
58.82	1.5699	1.2	(2,2,2)
69.09	1.3595	15.0	(2,2,0)
76.33	1.2476	5.5	(3,2,2)
78.69	1.2160	1.2	(3,2,1)
87.97	1.1101	30.9	(3,3,2)

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Energy Properties

Formation Energy/atom

-0.29542

eV/atom

Energy/atom

-5.95273

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.3689

eV/atom

Volume/atom

10.05

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0006

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

201.076

GPa

G_VRH

80.844

GPa

Young's Modulus E

213.869

GPa

Poisson Ratio ν

0.323

Pugh Ratio K/G

2.487

Vickers Hardness Est.

5.995

GPa

Ductility

Brittle

Anisotropy

1.163

Lame λ

147.180

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.500

Element Family

3d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.9255

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.624%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1619

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.729

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.674

Family

Co-based Alloy

Matrix Element

Co · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.1630

Homogeneous Poisson ν

0.3230

Debye Temperature

483.9

Sound Velocity

3,508.9

m/s

Homogeneity

0.3230

Related Tasks

Related computation task IDs (5)

aaachtqm aaadupxt aaaeikoq aaaetqlt aaafxbnk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-862706

Reference Citation

The crystal structure and related material properties of BeCo2Ge were obtained from the Materials Project database (MP-ID: mp-862706, 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_BeCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84535143
_cell_length_b   3.84535143
_cell_length_c   3.84535143
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo2Ge
_chemical_formula_sum   'Be1 Co2 Ge1'
_cell_volume   40.20620759
_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
  Be  Be0  1  0.25000000  0.25000000  0.25000000  1.0
  Co  Co1  1  -0.00000000  -0.00000000  0.00000000  1.0
  Co  Co2  1  0.50000000  0.50000000  0.50000000  1.0
  Ge  Ge3  1  0.75000000  0.75000000  0.75000000  1.0

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