Ba(CoGe)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1070253 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Ba(CoGe)2

MP-ID

mp-1070253

Elements

Sites

Density

6.7426

g/cm³

Volume

98.63

Å³

Cell a

6.8107

Cell b

6.8107

Cell c

6.8107

α Angle

145.95

β Angle

145.95

γ Angle

48.93

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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
14.29	6.1993	6.5	(1,1,-1)
23.43	3.7970	6.1	(1,0,-1)
28.80	3.0996	9.2	(2,2,-2)
31.16	2.8700	100.0	(2,1,-2)
31.73	2.8204	15.0	(1,-1,0)
34.95	2.5672	36.2	(2,0,-1)
42.95	2.1059	4.9	(3,2,-3)
43.38	2.0861	4.7	(3,1,-2)
43.81	2.0664	2.8	(3,3,-3)
45.48	1.9943	36.3	(1,-1,1)
51.78	1.7656	1.4	(2,-1,-1)
54.73	1.6772	5.6	(3,1,-3)
55.10	1.6669	38.5	(4,2,-3)
56.16	1.6378	36.8	(3,0,-2)
59.66	1.5498	2.9	(4,4,-4)
64.33	1.4481	3.0	(4,1,-3)
64.99	1.4350	3.6	(4,2,-4)
66.28	1.4102	11.4	(2,-2,0)
72.60	1.3021	7.5	(5,4,-5)
73.82	1.2836	2.2	(4,0,-2)
75.05	1.2657	7.8	(3,0,-3)
75.35	1.2613	2.7	(2,-2,1)
77.18	1.2360	6.6	(3,-1,-2)
78.10	1.2238	5.2	(5,3,-5)

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Energy Properties

Formation Energy/atom

-0.36836

eV/atom

Energy/atom

-5.45474

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.4487

eV/atom

Volume/atom

19.73

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

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

Co · 0.400

Element Family

3d-TM

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

5.5170

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

25.175%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4260

smaller = more stable mixing

VEC

5.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.213

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.606

Family

Co-rich Multi-Component

Matrix Element

Co · 0.400

Related Tasks

Related computation task IDs (5)

aaacixhz aaaemsqy aaaeuwmy aaafaxia aaafxhjw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1070253

Reference Citation

The crystal structure and related material properties of Ba(CoGe)2 were obtained from the Materials Project database (MP-ID: mp-1070253, 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_Ba(CoGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81070982
_cell_length_b   6.81070982
_cell_length_c   6.81070982
_cell_angle_alpha   145.94592246
_cell_angle_beta   145.94592246
_cell_angle_gamma   48.92709311
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(CoGe)2
_chemical_formula_sum   'Ba1 Co2 Ge2'
_cell_volume   98.62706800
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co1  1  0.75000000  0.25000000  0.50000000  1.0
  Co  Co2  1  0.25000000  0.75000000  0.50000000  1.0
  Ge  Ge3  1  0.65727588  0.65727588  0.00000000  1.0
  Ge  Ge4  1  0.34272412  0.34272412  -0.00000000  1.0

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