Er5IrOsPt
High-Entropy Materials HEAMP-ID: mp-3293365 · Space group: P-4c2 (#116)
Basic Information
Formula
Er5IrOsPt
MP-ID
mp-3293365
Elements
4
Sites
32
Density
12.8152
g/cm³
Volume
732.79
ų
Cell a
10.7365
Å
Cell b
10.7365
Å
Cell c
6.3570
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P-4c2
Point Group
-42m
Crystal System
Tetragonal
Bravais Lattice
tP
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)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 11.66 | 7.5918 | 4.8 | (1,1,0) |
| 16.51 | 5.3682 | 8.0 | (2,0,0) |
| 23.22 | 3.8314 | 35.1 | (2,1,1) |
| 23.44 | 3.7959 | 5.6 | (2,2,0) |
| 28.07 | 3.1785 | 4.9 | (0,0,2) |
| 29.30 | 3.0478 | 14.2 | (1,0,2) |
| 29.83 | 2.9948 | 67.8 | (3,1,1) |
| 32.74 | 2.7351 | 25.2 | (2,0,2) |
| 33.22 | 2.6966 | 70.6 | (3,2,1) |
| 33.82 | 2.6504 | 77.5 | (2,1,2) |
| 35.47 | 2.5306 | 11.4 | (3,3,0) |
| 36.88 | 2.4370 | 3.1 | (2,2,2) |
| 37.32 | 2.4097 | 100.0 | (4,1,1) |
| 37.46 | 2.4008 | 90.5 | (4,2,0) |
| 37.86 | 2.3765 | 39.6 | (3,0,2) |
| 38.81 | 2.3204 | 51.9 | (3,1,2) |
| 40.15 | 2.2459 | 28.5 | (4,2,1) |
| 41.56 | 2.1731 | 26.2 | (3,2,2) |
| 42.95 | 2.1056 | 5.6 | (5,1,0) |
| 44.16 | 2.0507 | 27.2 | (4,0,2) |
| 44.54 | 2.0344 | 5.5 | (4,3,1) |
| 45.00 | 2.0143 | 3.4 | (4,1,2) |
| 45.37 | 1.9988 | 1.6 | (5,1,1) |
| 45.83 | 1.9798 | 4.1 | (3,3,2) |
Energy Properties
Formation Energy/atom
-0.87424
eV/atom
Energy/atom
-41.68168
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-41.6817
eV/atom
Volume/atom
22.90
ų
c/a Ratio
0.5921
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0006
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 · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0735
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.9254
J/mol·K
Ω Parameter
6.1036
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.572%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4782
smaller = more stable mixing
VEC
10.875
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.125
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7744
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293365
Reference Citation
The crystal structure and related material properties of Er5IrOsPt were obtained from the Materials Project database (MP-ID: mp-3293365, 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
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Raw CIF Data
# generated using pymatgen
data_Er5IrOsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.73648961
_cell_length_b 10.73648961
_cell_length_c 6.35703079
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er5IrOsPt
_chemical_formula_sum 'Er20 Ir4 Os4 Pt4'
_cell_volume 732.78898286
_cell_formula_units_Z 4
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 0.29754230 0.08746167 0.37302924 1.0
Er Er1 1 0.29754230 0.91253833 0.87302924 1.0
Er Er2 1 0.70245770 0.08746167 0.87302924 1.0
Er Er3 1 0.70245770 0.91253833 0.37302924 1.0
Er Er4 1 0.58351327 0.79308799 0.87709681 1.0
Er Er5 1 0.58351327 0.20691201 0.37709681 1.0
Er Er6 1 0.41648673 0.79308799 0.37709681 1.0
Er Er7 1 0.41648673 0.20691201 0.87709681 1.0
Er Er8 1 0.20691201 0.41648673 0.62290319 1.0
Er Er9 1 0.20691201 0.58351327 0.12290319 1.0
Er Er10 1 0.79308799 0.41648673 0.12290319 1.0
Er Er11 1 0.79308799 0.58351327 0.62290319 1.0
Er Er12 1 0.91253833 0.70245770 0.12697076 1.0
Er Er13 1 0.91253833 0.29754230 0.62697076 1.0
Er Er14 1 0.08746167 0.70245770 0.62697076 1.0
Er Er15 1 0.08746167 0.29754230 0.12697076 1.0
Er Er16 1 0.00000000 0.00000000 0.50000000 1.0
Er Er17 1 0.00000000 0.00000000 0.00000000 1.0
Er Er18 1 0.50000000 0.50000000 0.00000000 1.0
Er Er19 1 0.50000000 0.50000000 0.50000000 1.0
Ir Ir20 1 0.65302060 0.34697940 0.75000000 1.0
Ir Ir21 1 0.65302060 0.65302060 0.25000000 1.0
Ir Ir22 1 0.34697940 0.34697940 0.25000000 1.0
Ir Ir23 1 0.34697940 0.65302060 0.75000000 1.0
Os Os24 1 0.50000000 0.00000000 0.12474453 1.0
Os Os25 1 0.50000000 0.00000000 0.62474453 1.0
Os Os26 1 0.00000000 0.50000000 0.87525547 1.0
Os Os27 1 0.00000000 0.50000000 0.37525547 1.0
Pt Pt28 1 0.84812673 0.15187327 0.25000000 1.0
Pt Pt29 1 0.84812673 0.84812673 0.75000000 1.0
Pt Pt30 1 0.15187327 0.15187327 0.75000000 1.0
Pt Pt31 1 0.15187327 0.84812673 0.25000000 1.0
