Er20Sn15Pb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296306 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Er20Sn15Pb

MP-ID

mp-3296306

Elements

Sites

Density

9.0049

g/cm³

Volume

983.43

Å³

Cell a

7.9934

Cell b

8.0614

Cell c

15.2618

α Angle

89.99

β Angle

90.10

γ Angle

89.99

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
5.79	15.2617	3.4	(0,0,1)
11.60	7.6309	9.9	(0,0,2)
12.42	7.1287	3.7	(0,1,1)
15.61	5.6766	2.2	(1,1,0)
15.61	5.6756	2.9	(1,-1,0)
16.66	5.3224	1.0	(1,1,-1)
16.67	5.3185	1.0	(1,1,1)
16.67	5.3172	1.2	(1,-1,1)
20.65	4.3018	1.2	(0,1,-3)
22.24	3.9967	1.3	(2,0,0)
23.01	3.8646	3.3	(2,0,1)
23.31	3.8154	1.9	(0,0,4)
24.86	3.5810	16.6	(2,1,0)
24.87	3.5805	24.4	(2,-1,0)
25.42	3.5036	9.0	(1,2,-1)
25.42	3.5035	8.9	(1,-2,-1)
25.43	3.5027	8.2	(1,2,1)
25.43	3.5019	5.8	(1,-2,1)
25.54	3.4875	1.7	(2,1,-1)
25.54	3.4872	4.7	(2,-1,-1)
25.56	3.4852	4.3	(2,1,1)
25.56	3.4846	2.0	(2,-1,1)
27.39	3.2561	1.2	(1,2,-2)
27.41	3.2537	1.3	(1,-2,2)

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Energy Properties

Formation Energy/atom

-0.82274

eV/atom

Energy/atom

-31.54459

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.5446

eV/atom

Volume/atom

27.32

Å³

c/a Ratio

1.9093

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0445

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

μB/Å³

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

0.7909

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.5753

J/mol·K

Ω Parameter

174.4451

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.171%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3741

smaller = more stable mixing

VEC

8.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.046

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7199

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.611

Family

Er-rich Multi-Component

Matrix Element

Er · 0.556

Related Tasks

Related computation task IDs (1)

aaahfofa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296306

Reference Citation

The crystal structure and related material properties of Er20Sn15Pb were obtained from the Materials Project database (MP-ID: mp-3296306, 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…

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Raw CIF Data

# generated using pymatgen
data_Er20Sn15Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99338164
_cell_length_b   8.06138527
_cell_length_c   15.26174802
_cell_angle_alpha   89.98792814
_cell_angle_beta   90.10079418
_cell_angle_gamma   89.98989295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er20Sn15Pb
_chemical_formula_sum   'Er20 Sn15 Pb1'
_cell_volume   983.43082367
_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  0.37807652  0.83958695  0.87885970  1.0
  Er  Er1  1  0.87711256  0.66013359  0.62128015  1.0
  Er  Er2  1  0.62304406  0.16006694  0.37893501  1.0
  Er  Er3  1  0.12359264  0.34022549  0.12138484  1.0
  Er  Er4  1  0.62191131  0.15821838  0.12160949  1.0
  Er  Er5  1  0.12334048  0.33979323  0.37876782  1.0
  Er  Er6  1  0.37726354  0.83950034  0.62096966  1.0
  Er  Er7  1  0.87803632  0.66082383  0.87817876  1.0
  Er  Er8  1  0.52994124  0.32115058  0.89980312  1.0
  Er  Er9  1  0.03056183  0.17789726  0.59882511  1.0
  Er  Er10  1  0.46918206  0.67754216  0.40113620  1.0
  Er  Er11  1  0.96884963  0.82498053  0.09980788  1.0
  Er  Er12  1  0.46569578  0.67896432  0.10004125  1.0
  Er  Er13  1  0.96933459  0.82245735  0.40123034  1.0
  Er  Er14  1  0.53091989  0.32241629  0.59900045  1.0
  Er  Er15  1  0.03289508  0.17649665  0.89999278  1.0
  Er  Er16  1  0.20942364  0.50475695  0.74993979  1.0
  Er  Er17  1  0.70934829  0.99511780  0.74997843  1.0
  Er  Er18  1  0.79081731  0.49522775  0.25103788  1.0
  Er  Er19  1  0.29063064  0.00489079  0.25026644  1.0
  Sn  Sn20  1  0.28326028  0.03463603  0.04216551  1.0
  Sn  Sn21  1  0.78417047  0.46503977  0.45809347  1.0
  Sn  Sn22  1  0.71626675  0.96525602  0.54219898  1.0
  Sn  Sn23  1  0.21695353  0.53402831  0.95748226  1.0
  Sn  Sn24  1  0.71723240  0.96601482  0.95764926  1.0
  Sn  Sn25  1  0.21609266  0.53466954  0.54209056  1.0
  Sn  Sn26  1  0.28392075  0.03481066  0.45792363  1.0
  Sn  Sn27  1  0.57459996  0.61885733  0.74983155  1.0
  Sn  Sn28  1  0.07483371  0.88091558  0.74965237  1.0
  Sn  Sn29  1  0.42596165  0.38096230  0.25004461  1.0
  Sn  Sn30  1  0.92554137  0.11950937  0.25006116  1.0
  Sn  Sn31  1  0.34137929  0.14735993  0.74933951  1.0
  Sn  Sn32  1  0.84165990  0.35214108  0.74988805  1.0
  Sn  Sn33  1  0.65834810  0.85178047  0.25045846  1.0
  Sn  Sn34  1  0.15794113  0.64808942  0.25032157  1.0
  Pb  Pb35  1  0.78186364  0.46568120  0.04175495  1.0

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