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TbYNi2Ag

High-Entropy Materials HEA

MP-ID: mp-3248274 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula
TbYNi2Ag
MP-ID
mp-3248274
Elements
4
Sites
5
Density
8.0800
g/cm³
Volume
97.23
ų
Cell a
7.1541
Å
Cell b
7.1541
Å
Cell c
3.6197
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
148.34
°
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
12.86 6.8828 11.6 (1,-1,0)
23.70 3.7545 3.2 (1,0,0)
25.89 3.4414 4.1 (2,-2,0)
27.85 3.2037 4.6 (1,-1,1)
30.06 2.9727 31.3 (2,-1,0)
34.42 2.6059 100.0 (1,0,1)
36.01 2.4941 66.1 (2,-2,1)
39.22 2.2973 26.9 (2,-1,1)
39.27 2.2943 10.2 (3,-3,0)
40.08 2.2496 41.9 (3,-2,0)
46.54 1.9512 24.5 (1,1,0)
46.89 1.9378 1.6 (3,-3,1)
47.59 1.9107 3.7 (3,-2,1)
47.59 1.9107 3.7 (2,-3,1)
50.42 1.8099 19.2 (0,0,2)
52.08 1.7562 7.4 (4,-3,0)
53.23 1.7207 3.7 (4,-4,0)
54.02 1.6974 1.2 (3,-1,0)
55.11 1.6665 1.5 (2,0,1)
58.41 1.5800 6.0 (4,-3,1)
58.41 1.5800 6.0 (3,-4,1)
59.48 1.5541 4.6 (4,-4,1)
59.83 1.5459 8.8 (2,-1,2)
60.22 1.5368 28.6 (3,-1,1)
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Energy Properties

Formation Energy/atom
-0.38029
eV/atom
Energy/atom
-19.75216
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.7522
eV/atom
Volume/atom
19.45
ų
c/a Ratio
0.5060

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
1.6170
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.151%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3727
smaller = more stable mixing
VEC
8.600
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.123
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahcvdq

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3248274
Reference Citation

The crystal structure and related material properties of TbYNi2Ag were obtained from the Materials Project database (MP-ID: mp-3248274, 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_TbYNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15407861
_cell_length_b   7.15407828
_cell_length_c   3.61970609
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   148.34473660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbYNi2Ag
_chemical_formula_sum   'Tb1 Y1 Ni2 Ag1'
_cell_volume   97.22556357
_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  0.36521454  0.63478546  0.50000000  1.0
  Y  Y1  1  0.63360716  0.36639284  0.50000000  1.0
  Ni  Ni2  1  0.80065221  0.19934779  0.00000000  1.0
  Ni  Ni3  1  0.20030501  0.79969499  0.00000000  1.0
  Ag  Ag4  1  0.00022008  0.99977992  0.00000000  1.0
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