ErAl2Ni

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-31182 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

ErAl2Ni

MP-ID

mp-31182

Elements

Sites

Density

6.7578

g/cm³

Volume

137.56

Å³

Cell a

4.0125

Cell b

5.4055

Cell c

6.8302

α Angle

90.00

β Angle

90.00

γ Angle

111.79

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

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
17.67	5.0194	6.8	(0,1,0)
21.98	4.0447	30.8	(0,1,1)
23.88	3.7259	100.0	(1,0,0)
26.09	3.4151	76.2	(0,0,2)
27.26	3.2709	1.2	(1,0,1)
31.69	2.8235	15.4	(0,1,2)
34.91	2.5699	13.7	(1,1,0)
35.66	2.5176	69.2	(1,0,2)
35.66	2.5176	69.2	(1,-1,2)
37.39	2.4053	70.8	(1,1,1)
37.39	2.4053	70.8	(1,-2,1)
38.20	2.3557	82.2	(0,2,1)
43.65	2.0734	18.1	(0,1,3)
44.82	2.0223	6.1	(0,2,2)
45.20	2.0063	39.4	(2,-1,0)
46.76	1.9428	2.7	(1,0,3)
50.80	1.7973	3.6	(2,0,1)
50.80	1.7973	3.6	(2,-2,1)
52.71	1.7365	7.5	(1,2,1)
52.71	1.7365	7.5	(1,-3,1)
52.93	1.7298	21.9	(2,-1,2)
53.68	1.7076	17.0	(0,0,4)
53.79	1.7042	22.1	(1,1,3)
53.79	1.7042	22.1	(1,-2,3)

Get direct link

Energy Properties

Formation Energy/atom

-0.64882

eV/atom

Energy/atom

-5.10857

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.5329

eV/atom

Volume/atom

17.20

Å³

c/a Ratio

1.7022

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

93.639

GPa

G_VRH

57.442

GPa

Young's Modulus E

143.071

GPa

Poisson Ratio ν

0.245

Pugh Ratio K/G

1.630

Vickers Hardness Est.

9.075

GPa

Ductility

Ductile

Anisotropy

0.582

Lame λ

55.344

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

1.0603

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.528%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2375

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.634

Family

Al-based Alloy

Matrix Element

Al · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.5820

Homogeneous Poisson ν

0.2450

Debye Temperature

505.3

Sound Velocity

3,235.0

m/s

Homogeneity

0.2450

Related Tasks

Related computation task IDs (5)

aaadmuaa aaadsuny aaaemmru aaaeukxu aaafdggq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-31182

Reference Citation

The crystal structure and related material properties of ErAl2Ni were obtained from the Materials Project database (MP-ID: mp-31182, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_ErAl2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01249959
_cell_length_b   5.40547757
_cell_length_c   6.83022955
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.78662422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErAl2Ni
_chemical_formula_sum   'Er2 Al4 Ni2'
_cell_volume   137.56254015
_cell_formula_units_Z   2
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  0.06063660  0.12127419  0.75000000  1.0
  Er  Er1  1  0.93936340  0.87872581  0.25000000  1.0
  Al  Al2  1  0.34219230  0.68438561  0.94538462  1.0
  Al  Al3  1  0.65780770  0.31561439  0.05461538  1.0
  Al  Al4  1  0.65780770  0.31561439  0.44538462  1.0
  Al  Al5  1  0.34219230  0.68438561  0.55461538  1.0
  Ni  Ni6  1  0.78441008  0.56882016  0.75000000  1.0
  Ni  Ni7  1  0.21558992  0.43117984  0.25000000  1.0

Get direct link