Dy2InNi2

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1068319 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Dy2InNi2

MP-ID

mp-1068319

Elements

Sites

Density

9.2278

g/cm³

Volume

100.27

Å³

Cell a

3.6888

Cell b

3.8434

Cell c

7.3289

α Angle

105.20

β Angle

90.00

γ Angle

90.00

Space Group

Cmmm

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
12.52	7.0724	3.5	(0,0,1)
23.99	3.7089	2.3	(0,1,-1)
24.13	3.6888	2.2	(1,0,0)
25.18	3.5362	8.8	(0,0,2)
27.27	3.2707	2.5	(1,0,1)
30.00	2.9791	42.9	(0,1,-2)
34.29	2.6155	100.0	(1,1,-1)
35.16	2.5527	74.7	(1,0,2)
38.17	2.3575	12.8	(0,0,3)
38.86	2.3176	36.4	(1,1,-2)
39.56	2.2783	34.5	(0,1,-3)
46.87	1.9384	4.6	(1,1,-3)
47.30	1.9217	24.2	(0,2,-1)
49.41	1.8444	21.2	(2,0,0)
51.07	1.7886	10.9	(0,1,-4)
51.70	1.7681	4.3	(0,0,4)
54.33	1.6885	2.3	(0,2,-3)
56.25	1.6353	2.1	(2,0,2)
57.24	1.6094	18.2	(1,1,-4)
57.83	1.5944	5.0	(1,0,4)
58.89	1.5682	13.0	(2,1,-2)
60.28	1.5353	30.9	(1,2,-3)
62.34	1.4895	5.9	(0,2,-4)
64.00	1.4547	1.0	(0,1,-5)

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Energy Properties

Formation Energy/atom

-0.52401

eV/atom

Energy/atom

-5.23525

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.6705

eV/atom

Volume/atom

20.05

Å³

c/a Ratio

1.9868

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

Shared across all datasets

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

HEA

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

1.8054

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.593%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3203

smaller = more stable mixing

VEC

8.600

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

TRA

ROM Blended-Feature Radar

Rating & Classification

Related Tasks

Related computation task IDs (5)

aaacivnz aaadsnob aaaemlnk aaaeutub aaafsrfn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1068319

Reference Citation

The crystal structure and related material properties of Dy2InNi2 were obtained from the Materials Project database (MP-ID: mp-1068319, 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

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Raw CIF Data

# generated using pymatgen
data_Dy2InNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68878778
_cell_length_b   3.84339893
_cell_length_c   7.32886324
_cell_angle_alpha   105.20122197
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2InNi2
_chemical_formula_sum   'Dy2 In1 Ni2'
_cell_volume   100.26929768
_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
  Dy  Dy0  1  0.50000000  0.63755310  0.27510720  1.0
  Dy  Dy1  1  0.50000000  0.36244690  0.72489280  1.0
  In  In2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.00000000  0.79993825  0.59987351  1.0
  Ni  Ni4  1  0.00000000  0.20006175  0.40012649  1.0

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