CeCoGe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079178 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

CeCoGe2

MP-ID

mp-1079178

Elements

Sites

Density

7.9493

g/cm³

Volume

143.86

Å³

Cell a

8.5615

Cell b

8.5615

Cell c

4.1564

α Angle

90.00

β Angle

90.00

γ Angle

151.82

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

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
10.65	8.3040	6.1	(1,-1,0)
21.40	4.1520	1.6	(2,-2,0)
23.94	3.7168	5.7	(1,-1,1)
26.77	3.3298	6.7	(2,-1,0)
30.43	2.9375	2.2	(2,-2,1)
30.86	2.8979	20.4	(1,0,1)
32.34	2.7680	4.8	(3,-3,0)
34.51	2.5987	100.0	(2,-1,1)
34.53	2.5976	34.8	(3,-2,0)
39.10	2.3039	33.6	(3,-3,1)
40.97	2.2028	8.4	(3,-2,1)
43.42	2.0840	29.5	(1,1,0)
43.55	2.0782	29.3	(0,0,2)
43.60	2.0760	1.6	(4,-4,0)
43.91	2.0619	1.5	(4,-3,0)
49.05	1.8572	9.5	(4,-4,1)
49.34	1.8471	3.2	(4,-3,1)
50.19	1.8177	1.7	(2,0,1)
51.86	1.7630	2.3	(2,-1,2)
54.37	1.6874	14.3	(5,-4,0)
55.17	1.6649	2.2	(4,-2,0)
55.27	1.6619	2.2	(3,-3,2)
56.73	1.6228	16.2	(3,-2,2)
59.09	1.5634	1.7	(5,-4,1)

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Energy Properties

Formation Energy/atom

-0.65354

eV/atom

Energy/atom

-6.23264

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.5846

eV/atom

Volume/atom

17.98

Å³

c/a Ratio

0.4855

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0005

μB

Mag. Ordering

Unknown

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

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

0.4648

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.558%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3704

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-24.450

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.509

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (5)

aaadmjry aaadsqkz aaaekufn aaaeuhwl aaafwxty

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079178

Reference Citation

The crystal structure and related material properties of CeCoGe2 were obtained from the Materials Project database (MP-ID: mp-1079178, 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_CeCoGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56152440
_cell_length_b   8.56152440
_cell_length_c   4.15637485
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   151.82404600
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeCoGe2
_chemical_formula_sum   'Ce2 Co2 Ge4'
_cell_volume   143.85510590
_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
  Ce  Ce0  1  0.88850619  0.11149381  0.25000000  1.0
  Ce  Ce1  1  0.11149381  0.88850619  0.75000000  1.0
  Co  Co2  1  0.68053712  0.31946288  0.25000000  1.0
  Co  Co3  1  0.31946288  0.68053712  0.75000000  1.0
  Ge  Ge4  1  0.54356555  0.45643445  0.25000000  1.0
  Ge  Ge5  1  0.45643445  0.54356555  0.75000000  1.0
  Ge  Ge6  1  0.24980090  0.75019910  0.25000000  1.0
  Ge  Ge7  1  0.75019910  0.24980090  0.75000000  1.0

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