Er2InNi2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079954 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Er2InNi2

MP-ID

mp-1079954

Elements

Sites

Density

10.1096

g/cm³

Volume

186.17

Å³

Cell a

3.4729

Cell b

7.3217

Cell c

7.3217

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

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
24.31	3.6609	2.9	(0,2,0)
25.65	3.4729	2.0	(1,0,0)
27.24	3.2744	24.6	(0,2,1)
31.01	2.8841	10.7	(1,1,1)
34.65	2.5886	15.3	(0,2,2)
35.63	2.5195	55.0	(1,2,0)
37.76	2.3824	100.0	(1,2,1)
38.90	2.3153	45.7	(0,3,1)
44.62	2.0307	5.5	(0,3,2)
49.82	1.8304	1.5	(0,4,0)
51.46	1.7758	16.1	(0,4,1)
52.18	1.7530	1.4	(1,3,2)
52.71	1.7365	14.6	(2,0,0)
53.07	1.7257	5.9	(0,3,3)
56.18	1.6372	4.2	(0,4,2)
56.86	1.6193	1.4	(1,4,0)
58.36	1.5811	18.5	(1,4,1)
59.85	1.5455	18.6	(1,3,3)
60.33	1.5341	5.8	(2,2,1)
64.63	1.4421	4.9	(2,2,2)
67.41	1.3892	17.5	(2,3,1)
69.09	1.3596	1.3	(0,5,2)
71.04	1.3270	12.4	(1,5,1)
71.49	1.3197	2.5	(2,3,2)

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Energy Properties

Formation Energy/atom

-0.52191

eV/atom

Energy/atom

-5.21289

eV/atom

Energy above Hull

0.0203

eV/atom

Uncorrected Energy

-5.2129

eV/atom

Volume/atom

18.62

Å³

c/a Ratio

2.1082

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

1.8662

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.593%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3107

smaller = more stable mixing

VEC

9.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.040

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.454

Family

Er-rich Multi-Component

Matrix Element

Er · 0.400

Related Tasks

Related computation task IDs (6)

aaadisnr aaadnakm aaadsxmt aaadxtko aaaeucmv aaafcrse

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079954

Reference Citation

The crystal structure and related material properties of Er2InNi2 were obtained from the Materials Project database (MP-ID: mp-1079954, 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_Er2InNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47291345
_cell_length_b   7.32169660
_cell_length_c   7.32169660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2InNi2
_chemical_formula_sum   'Er4 In2 Ni4'
_cell_volume   186.17330864
_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  0.50000000  0.17407789  0.67407789  1.0
  Er  Er1  1  0.50000000  0.82592211  0.32592211  1.0
  Er  Er2  1  0.50000000  0.32592211  0.17407789  1.0
  Er  Er3  1  0.50000000  0.67407789  0.82592211  1.0
  In  In4  1  0.00000000  0.50000000  0.50000000  1.0
  In  In5  1  -0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni6  1  -0.00000000  0.61914118  0.11914118  1.0
  Ni  Ni7  1  0.00000000  0.38085882  0.88085882  1.0
  Ni  Ni8  1  -0.00000000  0.88085882  0.61914118  1.0
  Ni  Ni9  1  0.00000000  0.11914118  0.38085882  1.0

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