Hf6Co16Ge7
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-672657 · Space group: Fm-3m (#225)
Basic Information
Formula
Hf6Co16Ge7
MP-ID
mp-672657
Elements
3
Sites
29
Density
11.2934
g/cm³
Volume
370.88
ų
Cell a
8.0646
Å
Cell b
8.0646
Å
Cell c
8.0646
Å
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
cF
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.45 | 6.5847 | 4.7 | (1,0,0) |
| 13.45 | 6.5847 | 4.7 | (0,1,0) |
| 13.45 | 6.5847 | 4.7 | (0,0,1) |
| 13.45 | 6.5847 | 4.7 | (1,1,1) |
| 15.54 | 5.7025 | 3.4 | (0,1,1) |
| 15.54 | 5.7025 | 3.4 | (1,1,0) |
| 15.54 | 5.7025 | 3.4 | (1,0,1) |
| 22.04 | 4.0323 | 5.8 | (1,-1,0) |
| 22.04 | 4.0323 | 5.8 | (1,0,-1) |
| 22.04 | 4.0323 | 11.7 | (0,1,-1) |
| 22.04 | 4.0323 | 5.8 | (1,2,1) |
| 22.04 | 4.0323 | 5.8 | (1,1,2) |
| 25.91 | 3.4388 | 1.1 | (1,-1,-1) |
| 25.91 | 3.4388 | 1.1 | (2,0,1) |
| 25.91 | 3.4388 | 1.1 | (2,1,0) |
| 25.91 | 3.4388 | 1.1 | (1,-1,1) |
| 25.91 | 3.4388 | 1.1 | (0,2,1) |
| 25.91 | 3.4388 | 1.1 | (1,1,-1) |
| 25.91 | 3.4388 | 1.1 | (1,2,0) |
| 25.91 | 3.4388 | 1.1 | (0,1,2) |
| 25.91 | 3.4387 | 1.1 | (2,2,1) |
| 25.91 | 3.4387 | 1.1 | (1,0,2) |
| 25.91 | 3.4387 | 1.1 | (2,1,2) |
| 25.91 | 3.4387 | 1.1 | (1,2,2) |
Energy Properties
Formation Energy/atom
-0.46342
eV/atom
Energy/atom
-7.57511
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.3570
eV/atom
Volume/atom
12.79
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0088
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
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
0.7283
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.431%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2566
smaller = more stable mixing
VEC
6.759
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-20.334
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9077
SS Former
0
Phase Tendency
AM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.706
Family
Co-based Alloy
Matrix Element
Co · 0.552
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-672657
Reference Citation
The crystal structure and related material properties of Hf6Co16Ge7 were obtained from the Materials Project database (MP-ID: mp-672657, 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_Hf6Co16Ge7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.06458460
_cell_length_b 8.06457005
_cell_length_c 8.06454937
_cell_angle_alpha 60.00021840
_cell_angle_beta 60.00032308
_cell_angle_gamma 60.00036566
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf6Co16Ge7
_chemical_formula_sum 'Hf6 Co16 Ge7'
_cell_volume 370.87819898
_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
Hf Hf0 1 0.20376006 0.79625647 0.79625536 1.0
Hf Hf1 1 0.79624195 0.79626901 0.20374615 1.0
Hf Hf2 1 0.79624057 0.20374556 0.20374708 1.0
Hf Hf3 1 0.20376205 0.20373019 0.79625406 1.0
Hf Hf4 1 0.79624194 0.20374624 0.79626751 1.0
Hf Hf5 1 0.20376029 0.79625533 0.20372986 1.0
Co Co6 1 0.62053749 0.62055194 0.13835613 1.0
Co Co7 1 0.16998424 0.49007501 0.16996700 1.0
Co Co8 1 0.86161956 0.37945951 0.37946108 1.0
Co Co9 1 0.50993017 0.83002051 0.83002314 1.0
Co Co10 1 0.49008188 0.16997288 0.16997175 1.0
Co Co11 1 0.83000769 0.83002662 0.50993344 1.0
Co Co12 1 0.16998457 0.16996770 0.49007762 1.0
Co Co13 1 0.13836347 0.62054515 0.62054464 1.0
Co Co14 1 0.16998484 0.16996862 0.16996670 1.0
Co Co15 1 0.37946802 0.37945171 0.86162783 1.0
Co Co16 1 0.62053862 0.62055333 0.62055217 1.0
Co Co17 1 0.37946698 0.86163056 0.37945159 1.0
Co Co18 1 0.37946776 0.37945068 0.37945293 1.0
Co Co19 1 0.83000648 0.83002879 0.83003232 1.0
Co Co20 1 0.62053920 0.13835337 0.62055176 1.0
Co Co21 1 0.83000597 0.50993273 0.83002961 1.0
Ge Ge22 1 0.50003950 -0.00004373 0.50004044 1.0
Ge Ge23 1 0.50004022 0.50004091 -0.00004450 1.0
Ge Ge24 1 0.50000766 0.49999986 0.49999997 1.0
Ge Ge25 1 -0.00003300 -0.00002493 0.50002736 1.0
Ge Ge26 1 -0.00003353 0.50002804 -0.00002562 1.0
Ge Ge27 1 -0.00004421 0.50003558 0.50003725 1.0
Ge Ge28 1 0.50002958 -0.00003167 -0.00003263 1.0
