Er3InC

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10275 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Er3InC

MP-ID

mp-10275

Elements

Sites

Density

6.1600

g/cm³

Volume

169.45

Å³

Cell a

5.5337

Cell b

5.5337

Cell c

5.5337

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 17)

2θ	d (Å)	I	hkl
16.02	5.5337	100.0	(1,0,0)
22.73	3.9129	1.5	(1,1,0)
27.93	3.1949	74.2	(1,1,1)
32.36	2.7669	97.6	(2,0,0)
36.30	2.4748	54.4	(2,1,0)
46.41	1.9565	71.3	(2,2,0)
49.41	1.8446	28.4	(2,2,1)
55.04	1.6685	34.1	(3,1,1)
57.71	1.5974	24.8	(2,2,2)
60.30	1.5348	12.5	(3,2,0)
67.73	1.3834	11.4	(4,0,0)
70.12	1.3421	15.9	(4,1,0)
74.78	1.2695	13.8	(3,3,1)
77.08	1.2374	31.7	(4,2,0)
79.35	1.2076	11.4	(4,2,1)
86.08	1.1296	24.4	(4,2,2)
88.30	1.1067	5.6	(5,0,0)

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Energy Properties

Formation Energy/atom

1.61021

eV/atom

Energy/atom

-3.52845

eV/atom

Energy above Hull

1.9686

eV/atom

Uncorrected Energy

-3.5285

eV/atom

Volume/atom

33.89

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0021

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

40.114

GPa

G_VRH

12.572

GPa

Young's Modulus E

34.149

GPa

Poisson Ratio ν

0.358

Pugh Ratio K/G

3.191

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

64.078

Lame λ

31.733

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.600

Element Family

Lanthanide

Solute Fraction

0.400

Interstitial Fraction

0.200

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

4.9970

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

25.049%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5144

smaller = more stable mixing

VEC

8.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.054

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.374

Family

Interstitial Alloy

Matrix Element

Er · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

64.0780

Homogeneous Poisson ν

0.3580

Debye Temperature

252.2

Sound Velocity

1,608.0

m/s

Homogeneity

0.3580

Related Tasks

Related computation task IDs (5)

aaaddhdz aaadmtld aaadsoxw aaaeusbm aaafxgzx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10275

Reference Citation

The crystal structure and related material properties of Er3InC were obtained from the Materials Project database (MP-ID: mp-10275, 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_Er3InC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53370700
_cell_length_b   5.53370700
_cell_length_c   5.53370700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3InC
_chemical_formula_sum   'Er3 In1 C1'
_cell_volume   169.45269522
_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  0.00000000  0.50000000  0.50000000  1.0
  Er  Er1  1  0.50000000  0.00000000  0.50000000  1.0
  Er  Er2  1  0.50000000  0.50000000  0.00000000  1.0
  In  In3  1  0.50000000  0.50000000  0.50000000  1.0
  C  C4  1  0.00000000  0.00000000  0.00000000  1.0

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