Er20IrRuPt10
High-Entropy Materials HEAMP-ID: mp-3292369 · Space group: P4 (#75)
Basic Information
Formula
Er20IrRuPt10
MP-ID
mp-3292369
Elements
4
Sites
32
Density
12.4081
g/cm³
Volume
748.00
ų
Cell a
10.8369
Å
Cell b
10.8369
Å
Cell c
6.3693
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4
Point Group
4
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 |
|---|---|---|---|
| 8.16 | 10.8369 | 1.1 | (1,0,0) |
| 11.55 | 7.6628 | 2.1 | (1,1,0) |
| 16.36 | 5.4184 | 3.7 | (2,0,0) |
| 23.06 | 3.8569 | 37.2 | (2,1,1) |
| 23.22 | 3.8314 | 5.9 | (2,2,0) |
| 28.02 | 3.1847 | 3.5 | (0,0,2) |
| 29.23 | 3.0555 | 16.2 | (1,0,2) |
| 29.60 | 3.0178 | 74.3 | (3,1,1) |
| 32.61 | 2.7456 | 26.4 | (2,0,2) |
| 32.95 | 2.7182 | 67.7 | (3,2,1) |
| 33.68 | 2.6615 | 71.8 | (2,1,2) |
| 35.13 | 2.5543 | 11.7 | (3,3,0) |
| 36.69 | 2.4491 | 2.8 | (2,2,2) |
| 37.00 | 2.4296 | 100.0 | (4,1,1) |
| 37.10 | 2.4232 | 92.2 | (4,2,0) |
| 37.65 | 2.3889 | 39.3 | (3,0,2) |
| 38.59 | 2.3329 | 54.5 | (3,1,2) |
| 39.80 | 2.2648 | 29.9 | (4,2,1) |
| 41.30 | 2.1859 | 19.7 | (3,2,2) |
| 42.54 | 2.1253 | 4.1 | (5,1,0) |
| 43.87 | 2.0635 | 27.2 | (4,0,2) |
| 44.14 | 2.0518 | 5.6 | (4,3,1) |
| 44.71 | 2.0271 | 2.6 | (4,1,2) |
| 44.96 | 2.0160 | 1.1 | (5,1,1) |
Energy Properties
Formation Energy/atom
-1.11082
eV/atom
Energy/atom
-40.83487
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-40.8349
eV/atom
Volume/atom
23.38
ų
c/a Ratio
0.5878
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.3950
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.000530
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
0.8738
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2652
J/mol·K
Ω Parameter
7.1833
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.024%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4974
smaller = more stable mixing
VEC
11.156
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.953
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6303
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292369
Reference Citation
The crystal structure and related material properties of Er20IrRuPt10 were obtained from the Materials Project database (MP-ID: mp-3292369, 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_Er20IrRuPt10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.83686756
_cell_length_b 10.83686756
_cell_length_c 6.36933558
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er20IrRuPt10
_chemical_formula_sum 'Er20 Ir1 Ru1 Pt10'
_cell_volume 748.00011133
_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 0.29253250 0.08910372 0.37884203 1.0
Er Er1 1 0.29239509 0.91123681 0.87904079 1.0
Er Er2 1 0.70760491 0.08876319 0.87904079 1.0
Er Er3 1 0.70746750 0.91089628 0.37884203 1.0
Er Er4 1 0.58876319 0.79239509 0.87904079 1.0
Er Er5 1 0.58910372 0.20746750 0.37884203 1.0
Er Er6 1 0.41089628 0.79253250 0.37884203 1.0
Er Er7 1 0.41123681 0.20760491 0.87904079 1.0
Er Er8 1 0.20339557 0.41317301 0.62205294 1.0
Er Er9 1 0.20277793 0.58789002 0.11936843 1.0
Er Er10 1 0.79722207 0.41210998 0.11936843 1.0
Er Er11 1 0.79660443 0.58682699 0.62205294 1.0
Er Er12 1 0.91210998 0.70277793 0.11936843 1.0
Er Er13 1 0.91317301 0.29660443 0.62205294 1.0
Er Er14 1 0.08682699 0.70339557 0.62205294 1.0
Er Er15 1 0.08789002 0.29722207 0.11936843 1.0
Er Er16 1 0.00000000 0.00000000 0.50303621 1.0
Er Er17 1 0.00000000 0.00000000 0.00296635 1.0
Er Er18 1 0.50000000 0.50000000 0.00296635 1.0
Er Er19 1 0.50000000 0.50000000 0.50303621 1.0
Ir Ir20 1 0.00000000 0.50000000 0.37293100 1.0
Ru Ru21 1 0.00000000 0.50000000 0.87107342 1.0
Pt Pt22 1 0.84575022 0.15242746 0.25110950 1.0
Pt Pt23 1 0.84534398 0.84737814 0.75131877 1.0
Pt Pt24 1 0.15465602 0.15262186 0.75131877 1.0
Pt Pt25 1 0.15424978 0.84757254 0.25110950 1.0
Pt Pt26 1 0.65262186 0.34534398 0.75131877 1.0
Pt Pt27 1 0.65242746 0.65424978 0.25110950 1.0
Pt Pt28 1 0.34757254 0.34575022 0.25110950 1.0
Pt Pt29 1 0.34737814 0.65465602 0.75131877 1.0
Pt Pt30 1 0.50000000 0.00000000 0.11892695 1.0
Pt Pt31 1 0.50000000 0.00000000 0.61812168 1.0
