Ta6Co16Ge7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-672652 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Ta6Co16Ge7

MP-ID

mp-672652

Elements

Sites

Density

11.7429

g/cm³

Volume

358.77

Å³

Cell a

7.9758

Cell b

7.9758

Cell c

7.9758

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 24)

2θ	d (Å)	I	hkl
13.60	6.5122	14.6	(1,0,0)
13.60	6.5122	7.3	(0,1,0)
13.60	6.5122	7.3	(1,1,1)
15.71	5.6398	7.3	(1,0,1)
15.71	5.6398	14.6	(1,1,0)
22.29	3.9879	6.8	(0,1,-1)
22.29	3.9879	13.6	(1,0,-1)
22.29	3.9879	6.8	(1,1,2)
22.29	3.9879	6.8	(2,1,1)
22.29	3.9879	6.8	(1,2,1)
26.20	3.4009	4.5	(1,-1,1)
26.20	3.4009	4.5	(1,1,-1)
26.20	3.4009	4.5	(2,1,0)
26.20	3.4009	1.5	(0,2,1)
26.20	3.4009	3.0	(2,2,1)
27.39	3.2561	21.6	(0,0,2)
27.39	3.2561	21.6	(2,0,0)
27.39	3.2561	21.6	(0,2,0)
27.39	3.2561	21.6	(2,2,2)
31.73	2.8199	33.7	(2,0,2)
31.73	2.8199	33.7	(2,2,0)
31.73	2.8199	33.7	(0,2,2)
34.67	2.5877	12.8	(0,1,-2)
34.67	2.5877	12.8	(0,2,-1)

Get direct link

Energy Properties

Formation Energy/atom

-0.30025

eV/atom

Energy/atom

-7.80706

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.9163

eV/atom

Volume/atom

12.37

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.2970

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.023130

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.552

Element Family

3d-TM

Solute Fraction

0.448

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9972

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2906

J/mol·K

Ω Parameter

1.5378

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.577%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1781

smaller = more stable mixing

VEC

6.966

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.505

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9077

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.706

Family

Co-based Alloy

Matrix Element

Co · 0.552

Related Tasks

Related computation task IDs (5)

aaadnyhn aaadwlpy aaaetgyj aaafxewg aaagaist

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-672652

Reference Citation

The crystal structure and related material properties of Ta6Co16Ge7 were obtained from the Materials Project database (MP-ID: mp-672652, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Ta6Co16Ge7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97581518
_cell_length_b   7.97580712
_cell_length_c   7.97581669
_cell_angle_alpha   60.00010001
_cell_angle_beta   60.00002757
_cell_angle_gamma   60.00008429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Co16Ge7
_chemical_formula_sum   'Ta6 Co16 Ge7'
_cell_volume   358.76542814
_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
  Ta  Ta0  1  0.70170101  0.29828695  0.29829461  1.0
  Ta  Ta1  1  0.70170080  0.29828594  0.70171989  1.0
  Ta  Ta2  1  0.29829577  0.70171477  0.70170882  1.0
  Ta  Ta3  1  0.29829656  0.70171543  0.29828127  1.0
  Ta  Ta4  1  0.29830099  0.29827920  0.70171052  1.0
  Ta  Ta5  1  0.70169967  0.70172478  0.29828770  1.0
  Co  Co6  1  0.88055194  0.88054912  0.88055481  1.0
  Co  Co7  1  0.99877271  0.33374267  0.33374270  1.0
  Co  Co8  1  0.11945517  0.11945329  0.64163609  1.0
  Co  Co9  1  0.66625102  0.66625588  0.00123874  1.0
  Co  Co10  1  0.33374483  0.33374185  0.99877217  1.0
  Co  Co11  1  0.66624991  0.66625458  0.66625225  1.0
  Co  Co12  1  0.33374431  0.33374136  0.33374096  1.0
  Co  Co13  1  0.88054953  0.88055109  0.35834731  1.0
  Co  Co14  1  0.33374461  0.99877385  0.33374110  1.0
  Co  Co15  1  0.11945615  0.11945411  0.11945412  1.0
  Co  Co16  1  0.88054888  0.35835057  0.88055260  1.0
  Co  Co17  1  0.64165090  0.11944967  0.11944874  1.0
  Co  Co18  1  0.11945621  0.64163536  0.11945299  1.0
  Co  Co19  1  0.66625232  0.00123704  0.66625504  1.0
  Co  Co20  1  0.35834278  0.88054920  0.88055233  1.0
  Co  Co21  1  0.00123757  0.66625503  0.66625340  1.0
  Ge  Ge22  1  0.50001182  0.50001287  -0.00001280  1.0
  Ge  Ge23  1  -0.00001317  0.50000928  -0.00000711  1.0
  Ge  Ge24  1  0.00000103  0.00000166  -0.00000086  1.0
  Ge  Ge25  1  0.50000681  -0.00001266  0.50001027  1.0
  Ge  Ge26  1  -0.00000556  -0.00000855  0.50000647  1.0
  Ge  Ge27  1  -0.00001355  0.50000969  0.50001122  1.0
  Ge  Ge28  1  0.50000700  -0.00001304  -0.00000433  1.0

Get direct link