CoReGe2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-631310 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

CoReGe2

MP-ID

mp-631310

Elements

Sites

Density

11.2242

g/cm³

Volume

57.76

Å³

Cell a

4.3389

Cell b

4.3389

Cell c

4.3389

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

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 10)

2θ	d (Å)	I	hkl
25.14	3.5427	18.7	(1,1,1)
29.11	3.0681	12.1	(1,1,0)
41.63	2.1695	100.0	(2,1,1)
49.25	1.8501	9.6	(2,2,1)
51.60	1.7714	3.5	(2,2,2)
60.34	1.5340	16.4	(2,2,0)
66.41	1.4077	4.1	(3,2,2)
68.37	1.3721	4.8	(3,2,1)
75.97	1.2525	33.1	(3,3,2)
81.51	1.1809	3.2	(3,3,1)

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Energy Properties

Formation Energy/atom

0.59820

eV/atom

Energy/atom

-22.74900

eV/atom

Energy above Hull

0.6344

eV/atom

Uncorrected Energy

-6.6802

eV/atom

Volume/atom

14.44

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.4841

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.008380

μB/Å³

Elastic Properties

K_VRH

170.102

GPa

G_VRH

-47.643

GPa

Young's Modulus E

GPa

Poisson Ratio ν

0.654

Pugh Ratio K/G

-3.570

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

-6.125

Lame λ

201.864

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.500

Element Family

PostTransition-Noble

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

4.3716

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.059%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0604

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

3.782

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.309

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

-6.1250

Homogeneous Poisson ν

0.6540

Homogeneity

0.6540

Related Tasks

Related computation task IDs (5)

aaaddqmn aaadnzab aaadungt aaaethkv aaafxfdv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-631310

Reference Citation

The crystal structure and related material properties of CoReGe2 were obtained from the Materials Project database (MP-ID: mp-631310, 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_CoReGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33891328
_cell_length_b   4.33891328
_cell_length_c   4.33891328
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReGe2
_chemical_formula_sum   'Co1 Re1 Ge2'
_cell_volume   57.76009665
_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
  Co  Co0  1  0.50000000  0.50000000  0.50000000  1.0
  Re  Re1  1  0.25000000  0.25000000  0.25000000  1.0
  Ge  Ge2  1  0.00000000  0.00000000  0.00000000  1.0
  Ge  Ge3  1  0.75000000  0.75000000  0.75000000  1.0

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