Basic Information
Formula
HoCuGe
MP-ID
mp-9389
Elements
3
Sites
6
Density
9.0654
g/cm³
Volume
110.31
ų
Cell a
4.2201
Å
Cell b
4.2201
Å
Cell c
7.1525
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3mc
Point Group
6mm
Crystal System
Hexagonal
Bravais Lattice
hP
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 |
|---|---|---|---|
| 24.36 | 3.6547 | 13.0 | (1,0,-1,0) |
| 24.36 | 3.6547 | 6.5 | (1,-1,0,0) |
| 27.41 | 3.2544 | 1.5 | (1,0,-1,1) |
| 35.11 | 2.5561 | 100.0 | (1,0,-1,2) |
| 42.86 | 2.1100 | 17.1 | (1,1,-2,0) |
| 42.86 | 2.1100 | 34.2 | (2,-1,-1,0) |
| 45.42 | 1.9968 | 4.4 | (1,0,-1,3) |
| 49.91 | 1.8273 | 2.0 | (2,0,-2,0) |
| 51.08 | 1.7881 | 7.6 | (0,0,0,4) |
| 56.56 | 1.6272 | 16.8 | (2,0,-2,2) |
| 56.56 | 1.6272 | 8.4 | (2,-2,0,2) |
| 57.37 | 1.6062 | 6.0 | (1,0,-1,4) |
| 68.82 | 1.3642 | 6.1 | (1,1,-2,4) |
| 68.82 | 1.3642 | 12.2 | (2,-1,-1,4) |
| 70.72 | 1.3321 | 2.5 | (1,0,-1,5) |
| 73.49 | 1.2886 | 7.6 | (2,1,-3,2) |
| 73.49 | 1.2886 | 7.6 | (3,-1,-2,2) |
| 73.49 | 1.2886 | 7.6 | (3,-2,-1,2) |
| 74.20 | 1.2780 | 1.9 | (2,0,-2,4) |
| 78.52 | 1.2182 | 5.6 | (3,0,-3,0) |
| 78.52 | 1.2182 | 2.8 | (3,-3,0,0) |
| 80.33 | 1.1952 | 1.0 | (3,-1,-2,3) |
| 85.72 | 1.1333 | 5.4 | (1,0,-1,6) |
| 89.70 | 1.0932 | 1.2 | (2,1,-3,4) |
Energy Properties
Formation Energy/atom
-0.68102
eV/atom
Energy/atom
-5.12099
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.9664
eV/atom
Volume/atom
18.39
ų
c/a Ratio
1.6949
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
89.851
GPa
GVRH
56.640
GPa
Young's Modulus E
140.415
GPa
Poisson Ratio ν
0.240
Pugh Ratio K/G
1.586
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.662
Lame λ
52.091
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
2.4567
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.049%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3447
smaller = more stable mixing
VEC
8.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-5.333
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-9389
Reference Citation
The crystal structure and related material properties of HoCuGe were obtained from the Materials Project database (MP-ID: mp-9389, 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_HoCuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22005206
_cell_length_b 4.22005206
_cell_length_c 7.15250689
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998529
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoCuGe
_chemical_formula_sum 'Ho2 Cu2 Ge2'
_cell_volume 110.31246734
_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
Ho Ho0 1 -0.00000000 -0.00000000 0.75004578 1.0
Ho Ho1 1 -0.00000000 -0.00000000 0.25004578 1.0
Cu Cu2 1 0.66666700 0.33333300 0.53660876 1.0
Cu Cu3 1 0.33333300 0.66666700 0.03660876 1.0
Ge Ge4 1 0.33333300 0.66666700 0.47404746 1.0
Ge Ge5 1 0.66666700 0.33333300 0.97404746 1.0
