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HoTmCdNi2

High-Entropy Materials HEA

MP-ID: mp-3248328 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula
HoTmCdNi2
MP-ID
mp-3248328
Elements
4
Sites
5
Density
9.6249
g/cm³
Volume
97.25
ų
Cell a
7.3304
Å
Cell b
7.3304
Å
Cell c
3.5287
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
149.15
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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
12.53 7.0663 5.9 (1,-1,0)
23.67 3.7595 1.5 (0,1,0)
23.67 3.7595 1.5 (1,0,0)
25.21 3.5331 10.0 (2,-2,0)
25.24 3.5287 2.9 (0,0,1)
28.27 3.1570 3.0 (1,-1,1)
29.74 3.0041 24.8 (1,-2,0)
29.74 3.0041 24.8 (2,-1,0)
34.87 2.5729 100.0 (1,0,1)
35.97 2.4967 73.3 (2,-2,1)
38.21 2.3554 15.4 (3,-3,0)
39.37 2.2886 16.5 (2,-3,0)
39.37 2.2886 16.5 (3,-2,0)
39.39 2.2874 41.4 (2,-1,1)
46.57 1.9500 27.0 (1,1,0)
47.34 1.9202 2.8 (2,-3,1)
47.34 1.9202 2.8 (3,-2,1)
50.93 1.7929 6.4 (3,-4,0)
50.93 1.7929 6.4 (4,-3,0)
51.75 1.7666 4.0 (4,-4,0)
51.82 1.7644 19.6 (0,0,2)
53.69 1.7072 1.4 (1,-3,0)
53.69 1.7072 1.4 (3,-1,0)
57.67 1.5984 10.0 (3,-4,1)
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Energy Properties

Formation Energy/atom
-0.46119
eV/atom
Energy/atom
-22.87535
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.8754
eV/atom
Volume/atom
19.45
ų
c/a Ratio
0.4814

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
18.5306
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.231%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3032
smaller = more stable mixing
VEC
11.200
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.909
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahcvfs

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3248328
Reference Citation

The crystal structure and related material properties of HoTmCdNi2 were obtained from the Materials Project database (MP-ID: mp-3248328, 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_HoTmCdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33036759
_cell_length_b   7.33036880
_cell_length_c   3.52872659
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   149.14534556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTmCdNi2
_chemical_formula_sum   'Ho1 Tm1 Cd1 Ni2'
_cell_volume   97.24563224
_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  0.36099743  0.63900257  0.50000000  1.0
  Tm  Tm1  1  0.63988226  0.36011774  0.50000000  1.0
  Cd  Cd2  1  0.00089365  0.99910635  0.00000000  1.0
  Ni  Ni3  1  0.79929133  0.20070867  0.00000000  1.0
  Ni  Ni4  1  0.19893534  0.80106466  0.00000000  1.0
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