HoLuZn14Cu3
High-Entropy Materials HEAMP-ID: mp-3292155 · Space group: P6_3/mmc (#194)
Basic Information
Formula
HoLuZn14Cu3
MP-ID
mp-3292155
Elements
4
Sites
38
Density
8.5188
g/cm³
Volume
563.83
ų
Cell a
8.6998
Å
Cell b
8.6998
Å
Cell c
8.6020
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 |
|---|---|---|---|
| 15.64 | 5.6676 | 1.4 | (1,-1,0,1) |
| 15.64 | 5.6676 | 2.8 | (1,0,-1,1) |
| 20.42 | 4.3499 | 2.3 | (2,-1,-1,0) |
| 20.65 | 4.3010 | 1.6 | (0,0,0,2) |
| 23.82 | 3.7352 | 4.1 | (1,0,-1,2) |
| 25.82 | 3.4507 | 9.0 | (2,0,-2,1) |
| 29.20 | 3.0584 | 29.7 | (2,-1,-1,2) |
| 29.20 | 3.0584 | 14.9 | (1,1,-2,2) |
| 31.57 | 2.8338 | 3.2 | (2,-2,0,2) |
| 31.57 | 2.8338 | 6.4 | (2,0,-2,2) |
| 33.14 | 2.7034 | 14.4 | (3,-1,-2,1) |
| 33.44 | 2.6798 | 11.3 | (1,0,-1,3) |
| 35.75 | 2.5114 | 62.3 | (3,0,-3,0) |
| 37.89 | 2.3744 | 1.5 | (2,-3,1,2) |
| 37.89 | 2.3744 | 7.7 | (3,-1,-2,2) |
| 39.50 | 2.2816 | 18.8 | (2,-2,0,3) |
| 39.50 | 2.2816 | 37.5 | (2,0,-2,3) |
| 41.52 | 2.1749 | 59.1 | (4,-2,-2,0) |
| 41.52 | 2.1749 | 29.5 | (2,2,-4,0) |
| 41.64 | 2.1688 | 50.0 | (3,-3,0,2) |
| 41.64 | 2.1688 | 100.0 | (3,0,-3,2) |
| 42.01 | 2.1505 | 50.5 | (0,0,0,4) |
| 43.78 | 2.0679 | 1.7 | (1,0,-1,4) |
| 44.86 | 2.0205 | 22.9 | (3,-1,-2,3) |
Energy Properties
Formation Energy/atom
-0.27273
eV/atom
Energy/atom
-12.28589
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-12.2859
eV/atom
Volume/atom
14.84
ų
c/a Ratio
0.9888
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0003
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.737
Element Family
3d-TM
Solute Fraction
0.263
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8264
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.8707
J/mol·K
Ω Parameter
2.2574
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.527%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1635
smaller = more stable mixing
VEC
11.263
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-2.792
kJ/mol; negative = exothermic mixing
Entropy Norm
0.5961
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292155
Reference Citation
The crystal structure and related material properties of HoLuZn14Cu3 were obtained from the Materials Project database (MP-ID: mp-3292155, 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_HoLuZn14Cu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.69976666
_cell_length_b 8.69976688
_cell_length_c 8.60200884
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000988
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoLuZn14Cu3
_chemical_formula_sum 'Ho2 Lu2 Zn28 Cu6'
_cell_volume 563.82677051
_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 0.25000000 1.0
Ho Ho1 1 0.00000000 0.00000000 0.75000000 1.0
Lu Lu2 1 0.33333300 0.66666700 0.75000000 1.0
Lu Lu3 1 0.66666700 0.33333300 0.25000000 1.0
Zn Zn4 1 0.33333300 0.66666700 0.40349319 1.0
Zn Zn5 1 0.66666700 0.33333300 0.59650681 1.0
Zn Zn6 1 0.66666700 0.33333300 0.90349319 1.0
Zn Zn7 1 0.33333300 0.66666700 0.09650681 1.0
Zn Zn8 1 0.33379432 0.36924548 0.25000000 1.0
Zn Zn9 1 0.63075452 0.96454884 0.25000000 1.0
Zn Zn10 1 0.03545116 0.66620568 0.25000000 1.0
Zn Zn11 1 0.63075452 0.66620568 0.25000000 1.0
Zn Zn12 1 0.03545116 0.36924548 0.25000000 1.0
Zn Zn13 1 0.33379432 0.96454884 0.25000000 1.0
Zn Zn14 1 0.66620568 0.63075452 0.75000000 1.0
Zn Zn15 1 0.36924548 0.03545116 0.75000000 1.0
Zn Zn16 1 0.96454884 0.33379432 0.75000000 1.0
Zn Zn17 1 0.36924548 0.33379432 0.75000000 1.0
Zn Zn18 1 0.96454884 0.63075452 0.75000000 1.0
Zn Zn19 1 0.66620568 0.03545116 0.75000000 1.0
Zn Zn20 1 0.16548121 0.83451879 0.52025679 1.0
Zn Zn21 1 0.16548121 0.33096142 0.52025679 1.0
Zn Zn22 1 0.66903858 0.83451879 0.52025679 1.0
Zn Zn23 1 0.83451879 0.16548121 0.47974321 1.0
Zn Zn24 1 0.83451879 0.66903858 0.47974321 1.0
Zn Zn25 1 0.33096142 0.16548121 0.47974321 1.0
Zn Zn26 1 0.83451879 0.16548121 0.02025679 1.0
Zn Zn27 1 0.83451879 0.66903858 0.02025679 1.0
Zn Zn28 1 0.33096142 0.16548121 0.02025679 1.0
Zn Zn29 1 0.16548121 0.83451879 0.97974321 1.0
Zn Zn30 1 0.16548121 0.33096142 0.97974321 1.0
Zn Zn31 1 0.66903858 0.83451879 0.97974321 1.0
Cu Cu32 1 0.50000000 0.50000000 0.50000000 1.0
Cu Cu33 1 0.50000000 0.00000000 0.50000000 1.0
Cu Cu34 1 0.00000000 0.50000000 0.50000000 1.0
Cu Cu35 1 0.50000000 0.50000000 0.00000000 1.0
Cu Cu36 1 0.50000000 0.00000000 0.00000000 1.0
Cu Cu37 1 0.00000000 0.50000000 0.00000000 1.0
