CrCoGe

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10394 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

CrCoGe

MP-ID

mp-10394

Elements

Sites

Density

8.2025

g/cm³

Volume

74.32

Å³

Cell a

4.1005

Cell b

4.1005

Cell c

5.1042

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

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 13)

2θ	d (Å)	I	hkl
25.08	3.5512	2.5	(1,0,-1,0)
30.67	2.9150	1.9	(1,0,-1,1)
35.16	2.5521	12.4	(0,0,0,2)
43.68	2.0724	84.5	(1,0,-1,2)
44.17	2.0503	100.0	(2,-1,-1,0)
57.67	1.5984	6.0	(1,1,-2,2)
57.67	1.5984	11.9	(2,-1,-1,2)
63.87	1.4575	24.9	(2,0,-2,2)
74.34	1.2760	6.4	(0,0,0,4)
80.93	1.1879	8.1	(2,1,-3,2)
80.93	1.1879	16.1	(3,-1,-2,2)
81.28	1.1837	9.9	(3,0,-3,0)
81.28	1.1837	5.0	(3,-3,0,0)

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Energy Properties

Formation Energy/atom

-0.07917

eV/atom

Energy/atom

-7.21567

eV/atom

Energy above Hull

0.0645

eV/atom

Uncorrected Energy

-7.2157

eV/atom

Volume/atom

12.39

Å³

c/a Ratio

1.2448

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.8342

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.065040

μB/Å³

Elastic Properties

K_VRH

183.828

GPa

G_VRH

74.080

GPa

Young's Modulus E

195.922

GPa

Poisson Ratio ν

0.322

Pugh Ratio K/G

2.481

Vickers Hardness Est.

5.570

GPa

Ductility

Brittle

Anisotropy

0.381

Lame λ

134.441

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cr · 0.333

Element Family

3d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

6.0948

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.122%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1445

smaller = more stable mixing

VEC

6.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.577

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.552

Family

Cr-rich Multi-Component

Matrix Element

Cr · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3810

Homogeneous Poisson ν

0.3220

Debye Temperature

433.1

Sound Velocity

3,366.4

m/s

Homogeneity

0.3220

Related Tasks

Related computation task IDs (5)

aaadmidd aaadswbg aaadynyl aaaeuloj aaafijqy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10394

Reference Citation

The crystal structure and related material properties of CrCoGe were obtained from the Materials Project database (MP-ID: mp-10394, 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_CrCoGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10051151
_cell_length_b   4.10051151
_cell_length_c   5.10417800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999217
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoGe
_chemical_formula_sum   'Cr2 Co2 Ge2'
_cell_volume   74.32459456
_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
  Cr  Cr0  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr1  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co2  1  0.33333300  0.66666700  0.25000000  1.0
  Co  Co3  1  0.66666700  0.33333300  0.75000000  1.0
  Ge  Ge4  1  0.66666700  0.33333300  0.25000000  1.0
  Ge  Ge5  1  0.33333300  0.66666700  0.75000000  1.0

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