Navigation

HEAS Data Platform · Materials Science Database

TmLuNi2Pb

High-Entropy Materials HEA

MP-ID: mp-3252292 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula
TmLuNi2Pb
MP-ID
mp-3252292
Elements
4
Sites
5
Density
11.2867
g/cm³
Volume
98.35
ų
Cell a
7.2455
Å
Cell b
7.2455
Å
Cell c
3.4943
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
147.58
°
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
28.59 3.1226 11.6 (1,-1,1)
29.29 3.0488 60.3 (2,-1,0)
34.52 2.5979 100.0 (1,0,1)
36.44 2.4653 63.6 (2,-2,1)
38.83 2.3191 18.0 (3,-3,0)
39.22 2.2973 14.3 (2,-1,1)
39.29 2.2928 28.4 (3,-2,0)
44.81 2.0227 26.5 (1,1,0)
47.43 1.9170 13.2 (3,-2,1)
51.20 1.7841 4.5 (4,-3,0)
52.37 1.7472 16.8 (0,0,2)
52.62 1.7394 3.7 (4,-4,0)
54.01 1.6977 4.4 (2,0,1)
58.05 1.5890 21.5 (4,-3,1)
59.08 1.5637 31.7 (3,-1,1)
60.76 1.5244 9.8 (4,-2,0)
61.14 1.5159 16.1 (2,-1,2)
64.53 1.4442 4.2 (5,-4,0)
67.07 1.3955 7.3 (3,-3,2)
67.39 1.3897 5.7 (3,-2,2)
67.39 1.3897 5.7 (2,-3,2)
70.56 1.3347 1.9 (5,-4,1)
71.33 1.3222 13.3 (1,1,2)
71.54 1.3188 3.1 (5,-3,0)
Get direct link

Energy Properties

Formation Energy/atom
-0.55167
eV/atom
Energy/atom
-31.24157
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.2416
eV/atom
Volume/atom
19.67
ų
c/a Ratio
0.4823

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
2.7678
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.161%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4163
smaller = more stable mixing
VEC
7.800
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
6.242
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahdbce

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3252292
Reference Citation

The crystal structure and related material properties of TmLuNi2Pb were obtained from the Materials Project database (MP-ID: mp-3252292, 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_TmLuNi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24549449
_cell_length_b   7.24549439
_cell_length_c   3.49433114
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.57889018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmLuNi2Pb
_chemical_formula_sum   'Tm1 Lu1 Ni2 Pb1'
_cell_volume   98.35050023
_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
  Tm  Tm0  1  0.35755162  0.64244838  0.50000000  1.0
  Lu  Lu1  1  0.64330434  0.35669566  0.50000000  1.0
  Ni  Ni2  1  0.79862505  0.20137495  0.00000000  1.0
  Ni  Ni3  1  0.19997455  0.80002545  0.00000000  1.0
  Pb  Pb4  1  0.00054343  0.99945657  0.00000000  1.0
Get direct link