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HoMgZnNi2

High-Entropy Materials HEA

MP-ID: mp-3246348 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula
HoMgZnNi2
MP-ID
mp-3246348
Elements
4
Sites
5
Density
7.5780
g/cm³
Volume
81.52
ų
Cell a
5.1249
Å
Cell b
5.1249
Å
Cell c
5.1249
Å
α Angle
134.03
°
β Angle
119.63
°
γ Angle
79.08
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
Stability
Yes
Packing Fraction
-

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
20.57 4.3170 57.2 (0,1,-1)
22.50 3.9523 12.3 (1,1,-1)
24.94 3.5708 34.7 (1,0,-1)
28.23 3.1611 16.7 (0,0,1)
34.82 2.5768 7.8 (1,-1,1)
36.39 2.4686 100.0 (1,1,-2)
38.37 2.3460 17.5 (1,2,-2)
38.37 2.3460 17.5 (2,1,-1)
41.01 2.2008 29.7 (2,1,-2)
41.85 2.1585 13.3 (0,2,-2)
41.85 2.1585 13.3 (2,0,0)
43.30 2.0895 40.5 (0,1,-2)
43.30 2.0895 40.5 (1,0,1)
45.32 2.0012 32.4 (1,-1,-1)
45.92 1.9761 17.2 (2,2,-2)
50.25 1.8156 11.1 (1,0,-2)
51.16 1.7854 1.3 (2,0,-2)
51.16 1.7854 1.3 (0,2,0)
54.68 1.6787 2.4 (1,-2,2)
54.68 1.6787 2.4 (2,-1,1)
54.78 1.6757 2.1 (2,2,-3)
54.78 1.6757 6.2 (3,1,-2)
54.86 1.6735 2.1 (1,2,-3)
54.86 1.6735 2.1 (3,0,-1)
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Energy Properties

Formation Energy/atom
-0.37643
eV/atom
Energy/atom
-14.36137
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.3614
eV/atom
Volume/atom
16.30
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
0.0000
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
Ni · 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
1.3322
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0757
J/mol·K
Ω Parameter
1.4722
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.343%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2883
smaller = more stable mixing
VEC
9.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-10.240
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahcsho

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3246348
Reference Citation

The crystal structure and related material properties of HoMgZnNi2 were obtained from the Materials Project database (MP-ID: mp-3246348, 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
Raw CIF Data 
# generated using pymatgen
data_HoMgZnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12493912
_cell_length_b   5.12493990
_cell_length_c   5.12494018
_cell_angle_alpha   134.03032483
_cell_angle_beta   119.63083985
_cell_angle_gamma   79.07938406
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoMgZnNi2
_chemical_formula_sum   'Ho1 Mg1 Zn1 Ni2'
_cell_volume   81.52215072
_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
  Ho  Ho0  1  0.30011597  0.80011597  0.50000000  1.0
  Mg  Mg1  1  0.69917973  0.19917973  0.50000000  1.0
  Zn  Zn2  1  0.00218502  0.00218502  1.00000000  1.0
  Ni  Ni3  1  0.73349308  0.49925914  0.23423393  1.0
  Ni  Ni4  1  0.26502621  0.49925914  0.76576607  1.0
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