Navigation

HEAS Data Platform · Materials Science Database

TmPaNi2Pb

High-Entropy Materials HEA

MP-ID: mp-3246663 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula
TmPaNi2Pb
MP-ID
mp-3246663
Elements
4
Sites
5
Density
11.9217
g/cm³
Volume
100.92
ų
Cell a
7.2663
Å
Cell b
7.2663
Å
Cell c
3.4543
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
146.40
°
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
12.73 6.9563 2.0 (1,-1,0)
22.11 4.0208 2.2 (1,0,0)
25.61 3.4781 4.3 (2,-2,0)
28.68 3.1131 69.3 (2,-1,0)
28.86 3.0939 13.7 (1,-1,1)
34.22 2.6202 100.0 (1,0,1)
36.67 2.4509 59.6 (2,-2,1)
38.82 2.3196 22.4 (3,-2,0)
38.84 2.3188 19.7 (3,-3,0)
38.95 2.3125 20.4 (2,-1,1)
43.07 2.1000 29.7 (1,1,0)
47.20 1.9257 15.5 (3,-2,1)
50.79 1.7977 1.4 (3,-1,0)
50.82 1.7965 6.3 (4,-3,0)
52.63 1.7391 3.0 (4,-4,0)
52.68 1.7375 2.8 (0,2,1)
52.68 1.7375 2.8 (2,0,1)
53.02 1.7272 16.2 (0,0,2)
57.82 1.5947 32.5 (3,-1,1)
57.85 1.5938 23.1 (4,-3,1)
59.38 1.5565 5.8 (2,-4,0)
59.38 1.5565 5.8 (4,-2,0)
59.51 1.5533 1.1 (4,-4,1)
61.39 1.5103 17.5 (2,-1,2)
Get direct link

Energy Properties

Formation Energy/atom
-0.46959
eV/atom
Energy/atom
-38.91472
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.9147
eV/atom
Volume/atom
20.18
ų
c/a Ratio
0.4754

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0002
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
2.7380
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.623%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3730
smaller = more stable mixing
VEC
9.250
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)
aaahcstr

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3246663
Reference Citation

The crystal structure and related material properties of TmPaNi2Pb were obtained from the Materials Project database (MP-ID: mp-3246663, 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_TmPaNi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26632444
_cell_length_b   7.26632458
_cell_length_c   3.45430675
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.40335091
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmPaNi2Pb
_chemical_formula_sum   'Tm1 Pa1 Ni2 Pb1'
_cell_volume   100.92174959
_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  0.36127298  0.63872702  0.50000000  1.0
  Pa  Pa1  1  0.65074257  0.34925743  0.50000000  1.0
  Ni  Ni2  1  0.79618024  0.20381976  0.00000000  1.0
  Ni  Ni3  1  0.19559254  0.80440746  0.00000000  1.0
  Pb  Pb4  1  0.99621167  0.00378833  0.00000000  1.0
Get direct link