Navigation

HEAS Data Platform · Materials Science Database

Er20Ir7Os4Pt

High-Entropy Materials HEA

MP-ID: mp-3296147 · Space group: C2 (#5)

Basic Information

Formula
Er20Ir7Os4Pt
MP-ID
mp-3296147
Elements
4
Sites
32
Density
12.9429
g/cm³
Volume
724.46
ų
Cell a
10.6736
Å
Cell b
10.6736
Å
Cell c
6.3591
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
89.82
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.71 7.5589 4.6 (1,1,0)
11.74 7.5358 3.9 (1,-1,0)
16.61 5.3368 16.5 (2,0,0)
23.28 3.8206 18.8 (2,1,-1)
23.28 3.8204 17.9 (2,1,1)
23.32 3.8146 18.1 (2,-1,-1)
23.32 3.8145 17.6 (2,-1,1)
23.54 3.7795 5.7 (2,2,0)
23.61 3.7679 5.7 (2,-2,0)
28.06 3.1796 9.5 (0,0,2)
29.31 3.0473 14.0 (1,0,-2)
29.31 3.0472 15.6 (1,0,2)
29.95 2.9835 40.0 (3,1,-1)
29.95 2.9834 34.7 (3,1,1)
29.99 2.9792 39.4 (3,-1,-1)
29.99 2.9792 36.4 (3,-1,1)
32.79 2.7316 26.5 (2,0,-2)
32.79 2.7315 26.5 (2,0,2)
33.35 2.6869 36.3 (3,2,-1)
33.35 2.6868 41.1 (3,2,1)
33.43 2.6807 37.0 (3,-2,-1)
33.43 2.6806 37.2 (3,-2,1)
33.86 2.6473 42.2 (2,1,-2)
33.86 2.6472 42.2 (2,1,2)
Get direct link

Energy Properties

Formation Energy/atom
-0.80488
eV/atom
Energy/atom
-41.69403
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-41.6940
eV/atom
Volume/atom
22.64
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0023
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
0.9944
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2678
J/mol·K
Ω Parameter
16.9513
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.807%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4682
smaller = more stable mixing
VEC
10.781
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.074
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7173
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3296147
Reference Citation

The crystal structure and related material properties of Er20Ir7Os4Pt were obtained from the Materials Project database (MP-ID: mp-3296147, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Er20Ir7Os4Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67356436
_cell_length_b   10.67356436
_cell_length_c   6.35909621
_cell_angle_alpha   90.00216384
_cell_angle_beta   90.00216384
_cell_angle_gamma   89.82450869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er20Ir7Os4Pt
_chemical_formula_sum   'Er20 Ir7 Os4 Pt1'
_cell_volume   724.45648458
_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  0.29259831  0.08526881  0.37633505  1.0
  Er  Er1  1  0.29391844  0.91383683  0.87626176  1.0
  Er  Er2  1  0.70416533  0.08403786  0.87223872  1.0
  Er  Er3  1  0.70457050  0.91085596  0.37814945  1.0
  Er  Er4  1  0.58558565  0.79285254  0.87711329  1.0
  Er  Er5  1  0.58194940  0.20641684  0.37596717  1.0
  Er  Er6  1  0.41344123  0.79303039  0.37679848  1.0
  Er  Er7  1  0.41360333  0.20628008  0.87672873  1.0
  Er  Er8  1  0.20714746  0.41441435  0.62288671  1.0
  Er  Er9  1  0.20696961  0.58655877  0.12320152  1.0
  Er  Er10  1  0.79358316  0.41805060  0.12403283  1.0
  Er  Er11  1  0.79371992  0.58639667  0.62327127  1.0
  Er  Er12  1  0.91473119  0.70740169  0.12366495  1.0
  Er  Er13  1  0.91596214  0.29583467  0.62776128  1.0
  Er  Er14  1  0.08616317  0.70608156  0.62373824  1.0
  Er  Er15  1  0.08914404  0.29542950  0.12185055  1.0
  Er  Er16  1  0.00069620  0.99836254  0.50116679  1.0
  Er  Er17  1  0.00163746  0.99930380  0.99883321  1.0
  Er  Er18  1  0.50000792  0.49947326  0.99959707  1.0
  Er  Er19  1  0.50052674  0.49999208  0.50040293  1.0
  Ir  Ir20  1  0.84825694  0.84912891  0.75047534  1.0
  Ir  Ir21  1  0.15087109  0.15174306  0.74952466  1.0
  Ir  Ir22  1  0.15202184  0.84797816  0.25000000  1.0
  Ir  Ir23  1  0.65323759  0.34676241  0.75000000  1.0
  Ir  Ir24  1  0.65205227  0.65180607  0.24995486  1.0
  Ir  Ir25  1  0.34819393  0.34794773  0.25004514  1.0
  Ir  Ir26  1  0.34796614  0.65203386  0.75000000  1.0
  Os  Os27  1  0.49983553  0.99958278  0.12508879  1.0
  Os  Os28  1  0.49973344  0.99957104  0.62415210  1.0
  Os  Os29  1  0.00042896  0.50026656  0.87584790  1.0
  Os  Os30  1  0.00041722  0.50016447  0.37491121  1.0
  Pt  Pt31  1  0.84686486  0.15313514  0.25000000  1.0
Get direct link