EuInNi5

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1006242 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

EuInNi5

MP-ID

mp-1006242

Elements

Sites

Density

9.1595

g/cm³

Volume

203.14

Å³

Cell a

10.2296

Cell b

10.2296

Cell c

10.2296

α Angle

27.62

β Angle

27.62

γ Angle

27.62

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

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
8.99	9.8333	2.3	(1,1,1)
21.22	4.1869	1.2	(1,0,0)
21.86	4.0658	2.6	(1,1,0)
21.86	4.0658	5.2	(1,0,1)
24.26	3.6691	4.1	(2,1,1)
25.92	3.4376	4.7	(2,2,1)
27.21	3.2778	1.9	(3,3,3)
32.21	2.7795	74.4	(3,3,2)
36.55	2.4583	12.2	(4,4,4)
36.80	2.4420	40.6	(1,-1,0)
36.80	2.4420	81.1	(1,0,-1)
37.16	2.4196	100.0	(4,3,3)
37.96	2.3700	5.4	(2,1,0)
37.96	2.3700	2.7	(1,0,2)
41.28	2.1871	55.4	(3,2,1)
41.28	2.1871	27.7	(2,1,3)
42.87	2.1094	45.5	(1,1,-1)
43.22	2.0935	21.9	(2,0,0)
43.22	2.0935	11.0	(0,0,2)
45.35	1.9996	22.6	(5,4,4)
45.35	1.9996	11.3	(4,4,5)
45.57	1.9908	12.3	(3,1,1)
45.57	1.9908	6.2	(1,1,3)
46.16	1.9667	12.5	(5,5,5)

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Energy Properties

Formation Energy/atom

-0.18957

eV/atom

Energy/atom

-6.18214

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.4608

eV/atom

Volume/atom

14.51

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

10.7569

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.052950

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.714

Element Family

3d-TM

Solute Fraction

0.286

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7963

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6205

J/mol·K

Ω Parameter

1.0710

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.269%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2450

smaller = more stable mixing

VEC

8.571

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.980

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7248

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (4)

aaadnnlu aaadrkad aaaeueoi aaagizzo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1006242

Reference Citation

The crystal structure and related material properties of EuInNi5 were obtained from the Materials Project database (MP-ID: mp-1006242, 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_EuInNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.22958112
_cell_length_b   10.22958112
_cell_length_c   10.22958020
_cell_angle_alpha   27.62222909
_cell_angle_beta   27.62222909
_cell_angle_gamma   27.62222900
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuInNi5
_chemical_formula_sum   'Eu2 In2 Ni10'
_cell_volume   203.13658507
_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
  Eu  Eu0  1  0.00000000  -0.00000000  0.00000000  1.0
  Eu  Eu1  1  0.50000000  0.50000000  0.50000000  1.0
  In  In2  1  0.11037377  0.11037377  0.11037377  1.0
  In  In3  1  0.88962623  0.88962623  0.88962623  1.0
  Ni  Ni4  1  0.33390895  0.33390895  0.33390895  1.0
  Ni  Ni5  1  0.56656741  0.56656741  0.06881534  1.0
  Ni  Ni6  1  0.06881534  0.56656741  0.56656741  1.0
  Ni  Ni7  1  0.56656741  0.06881534  0.56656741  1.0
  Ni  Ni8  1  0.79991916  0.79991916  0.79991916  1.0
  Ni  Ni9  1  0.20008084  0.20008084  0.20008084  1.0
  Ni  Ni10  1  0.43343259  0.93118466  0.43343259  1.0
  Ni  Ni11  1  0.93118466  0.43343259  0.43343259  1.0
  Ni  Ni12  1  0.43343259  0.43343259  0.93118466  1.0
  Ni  Ni13  1  0.66609105  0.66609105  0.66609105  1.0

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