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Er10In5PbO2

High-Entropy Materials HEA

MP-ID: mp-3295979 · Space group: I422 (#97)

Basic Information

Formula
Er10In5PbO2
MP-ID
mp-3295979
Elements
4
Sites
18
Density
9.1668
g/cm³
Volume
450.31
ų
Cell a
9.0395
Å
Cell b
9.0395
Å
Cell c
9.0378
Å
α Angle
127.55
°
β Angle
127.55
°
γ Angle
77.37
°
Space Group
I422
Point Group
422
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.73 6.9521 1.9 (1,0,0)
12.73 6.9521 1.9 (1,0,-1)
21.93 4.0535 1.5 (2,1,-1)
21.93 4.0535 1.5 (2,1,-2)
22.26 3.9944 4.5 (1,-1,1)
25.72 3.4640 5.7 (2,-1,0)
25.72 3.4640 5.7 (2,-1,-1)
25.73 3.4628 5.8 (1,0,1)
25.73 3.4628 5.8 (1,0,-2)
29.86 2.9926 34.1 (3,1,-2)
29.86 2.9922 16.9 (2,2,-1)
29.86 2.9922 16.9 (2,2,-3)
31.44 2.8455 95.1 (3,0,-1)
31.44 2.8455 95.2 (3,0,-2)
31.45 2.8448 95.1 (2,1,0)
31.45 2.8448 95.1 (2,1,-3)
31.67 2.8251 18.5 (2,-2,0)
31.69 2.8237 18.6 (0,0,2)
33.90 2.6443 41.2 (3,1,-1)
33.90 2.6443 41.2 (3,1,-3)
35.53 2.5266 100.0 (2,-2,1)
35.54 2.5259 99.6 (1,-1,2)
38.27 2.3520 39.5 (3,3,-3)
40.74 2.2149 1.8 (4,1,-2)
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Energy Properties

Formation Energy/atom
-1.22658
eV/atom
Energy/atom
-30.13644
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.1364
eV/atom
Volume/atom
25.02
ų
c/a Ratio
0.9998

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.0860
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.002410
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.556
Element Family
Lanthanide
Solute Fraction
0.444
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0871
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.0379
J/mol·K
Ω Parameter
12.8102
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
22.205%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6912
smaller = more stable mixing
VEC
8.167
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.818
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7842
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3295979
Reference Citation

The crystal structure and related material properties of Er10In5PbO2 were obtained from the Materials Project database (MP-ID: mp-3295979, 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_Er10In5PbO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03953392
_cell_length_b   9.03953351
_cell_length_c   9.03778618
_cell_angle_alpha   127.54732245
_cell_angle_beta   127.54732269
_cell_angle_gamma   77.37324210
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er10In5PbO2
_chemical_formula_sum   'Er10 In5 Pb1 O2'
_cell_volume   450.31188257
_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  0.99735660  0.19310322  0.49595916  1.0
  Er  Er1  1  0.80298604  0.30703903  0.80465508  1.0
  Er  Er2  1  0.50171718  0.99759439  0.80458674  1.0
  Er  Er3  1  0.50240561  0.99828282  0.19541326  1.0
  Er  Er4  1  0.99858040  0.80285898  0.49591067  1.0
  Er  Er5  1  0.50289338  0.50290340  0.99992608  1.0
  Er  Er6  1  0.19296097  0.69701396  0.19534492  1.0
  Er  Er7  1  0.69714102  0.50141960  0.50408933  1.0
  Er  Er8  1  0.30689678  0.50264340  0.50404084  1.0
  Er  Er9  1  0.99709660  0.99710662  0.00007392  1.0
  In  In10  1  0.86554758  0.36561336  0.23117840  1.0
  In  In11  1  0.13438664  0.63445242  0.76882160  1.0
  In  In12  1  0.36545100  0.13454900  0.50000000  1.0
  In  In13  1  0.74997415  0.75002585  0.00000000  1.0
  In  In14  1  0.63457694  0.86542306  0.50000000  1.0
  Pb  Pb15  1  0.25002219  0.24997781  1.00000000  1.0
  O  O16  1  0.74992184  0.24991694  0.49998546  1.0
  O  O17  1  0.25008306  0.75007816  0.50001454  1.0
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