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HEAS Data Platform · Materials Science Database

Er2NiRhPb

High-Entropy Materials HEA

MP-ID: mp-3247617 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula
Er2NiRhPb
MP-ID
mp-3247617
Elements
4
Sites
5
Density
11.1975
g/cm³
Volume
104.30
ų
Cell a
7.4660
Å
Cell b
7.4660
Å
Cell c
3.6283
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
148.96
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
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
23.10 3.8503 2.6 (1,0,0)
24.75 3.5969 1.5 (2,-2,0)
27.53 3.2395 7.6 (1,-1,1)
29.09 3.0700 21.1 (2,-1,0)
29.09 3.0700 21.1 (1,-2,0)
33.95 2.6406 100.0 (1,0,1)
35.13 2.5544 60.4 (2,-2,1)
37.51 2.3979 19.9 (3,-3,0)
38.41 2.3436 18.2 (2,-1,1)
38.56 2.3351 33.1 (3,-2,0)
45.39 1.9980 25.1 (1,1,0)
46.23 1.9636 16.1 (3,-2,1)
49.90 1.8278 4.3 (4,-3,0)
50.30 1.8141 18.6 (0,0,2)
50.77 1.7984 2.9 (4,-4,0)
53.91 1.7006 2.7 (2,0,1)
56.37 1.6323 19.2 (4,-3,1)
57.17 1.6113 1.5 (4,-4,1)
58.66 1.5738 28.0 (3,-1,1)
59.16 1.5618 12.2 (2,-1,2)
60.30 1.5350 10.1 (4,-2,0)
62.58 1.4842 3.1 (5,-4,0)
64.40 1.4467 8.3 (3,-3,2)
65.11 1.4326 7.1 (3,-2,2)
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Energy Properties

Formation Energy/atom
-0.69388
eV/atom
Energy/atom
-32.74467
eV/atom
Energy above Hull
0.0035
eV/atom
Uncorrected Energy
-32.7447
eV/atom
Volume/atom
20.86
ų
c/a Ratio
0.4860

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
Er · 0.400
Element Family
Lanthanide
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
4.1882
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.531%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4797
smaller = more stable mixing
VEC
9.400
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
4.321
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahcuej

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3247617
Reference Citation

The crystal structure and related material properties of Er2NiRhPb were obtained from the Materials Project database (MP-ID: mp-3247617, 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_Er2NiRhPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46601191
_cell_length_b   7.46601174
_cell_length_c   3.62825877
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   148.95522009
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2NiRhPb
_chemical_formula_sum   'Er2 Ni1 Rh1 Pb1'
_cell_volume   104.29880598
_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
  Er  Er0  1  0.35945056  0.64054944  0.50000000  1.0
  Er  Er1  1  0.64341523  0.35658477  0.50000000  1.0
  Ni  Ni2  1  0.19194003  0.80805997  0.00000000  1.0
  Rh  Rh3  1  0.80250776  0.19749224  0.00000000  1.0
  Pb  Pb4  1  0.00268642  0.99731358  0.00000000  1.0
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