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TbHoNi2Ag

High-Entropy Materials HEA

MP-ID: mp-3248393 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula
TbHoNi2Ag
MP-ID
mp-3248393
Elements
4
Sites
5
Density
9.5009
g/cm³
Volume
95.97
ų
Cell a
7.1416
Å
Cell b
7.1416
Å
Cell c
3.5872
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
148.36
°
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
12.88 6.8711 2.1 (1,-1,0)
23.75 3.7463 1.6 (1,0,0)
23.75 3.7463 1.6 (0,1,0)
24.82 3.5872 2.4 (0,0,1)
25.93 3.4356 9.9 (2,-2,0)
28.06 3.1799 1.3 (1,-1,1)
30.12 2.9668 19.3 (2,-1,0)
30.12 2.9668 19.3 (1,-2,0)
34.62 2.5909 100.0 (1,0,1)
36.20 2.4812 70.6 (2,-2,1)
39.34 2.2904 9.2 (3,-3,0)
39.41 2.2862 17.1 (2,-1,1)
39.41 2.2862 17.1 (1,-2,1)
40.16 2.2454 38.4 (3,-2,0)
46.65 1.9469 25.3 (1,1,0)
47.79 1.9033 2.3 (3,-2,1)
50.91 1.7936 19.4 (0,0,2)
52.18 1.7530 4.9 (4,-3,0)
52.18 1.7530 4.9 (3,-4,0)
53.33 1.7178 4.6 (4,-4,0)
54.15 1.6938 1.4 (3,-1,0)
54.15 1.6938 1.4 (1,-3,0)
58.01 1.5900 2.3 (2,-2,2)
58.61 1.5750 7.8 (4,-3,1)
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Energy Properties

Formation Energy/atom
-0.40159
eV/atom
Energy/atom
-22.28701
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.2870
eV/atom
Volume/atom
19.19
ų
c/a Ratio
0.5023

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
3.9823
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.441%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3706
smaller = more stable mixing
VEC
10.200
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
4.480
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahcvif

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3248393
Reference Citation

The crystal structure and related material properties of TbHoNi2Ag were obtained from the Materials Project database (MP-ID: mp-3248393, 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_TbHoNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14160103
_cell_length_b   7.14160052
_cell_length_c   3.58715204
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   148.36074870
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbHoNi2Ag
_chemical_formula_sum   'Tb1 Ho1 Ni2 Ag1'
_cell_volume   95.97182836
_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
  Tb  Tb0  1  0.36608436  0.63391564  0.50000000  1.0
  Ho  Ho1  1  0.63463225  0.36536775  0.50000000  1.0
  Ni  Ni2  1  0.79984117  0.20015883  0.00000000  1.0
  Ni  Ni3  1  0.19869671  0.80130329  0.00000000  1.0
  Ag  Ag4  1  0.00074651  0.99925349  0.00000000  1.0
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