Y2Ni2Sn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1068331 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Y2Ni2Sn

MP-ID

mp-1068331

Elements

Sites

Density

6.9350

g/cm³

Volume

99.11

Å³

Cell a

5.4389

Cell b

5.4389

Cell c

5.4389

α Angle

133.76

β Angle

118.08

γ Angle

80.66

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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
19.13	4.6385	2.8	(1,0,0)
21.43	4.1464	8.7	(1,1,-1)
23.43	3.7974	2.4	(0,1,0)
26.25	3.3953	1.0	(0,0,1)
31.99	2.7978	11.2	(1,-1,1)
34.13	2.6270	100.0	(1,1,0)
36.25	2.4784	24.5	(2,1,-1)
38.80	2.3207	8.3	(1,2,-1)
38.83	2.3192	7.8	(2,0,0)
40.03	2.2525	58.7	(1,0,1)
42.32	2.1357	27.9	(1,-1,-1)
43.66	2.0732	14.1	(2,2,-2)
47.91	1.8987	2.2	(0,2,0)
50.13	1.8198	4.4	(2,-1,1)
51.14	1.7862	3.3	(2,1,0)
51.66	1.7694	2.4	(2,2,-1)
53.62	1.7094	2.8	(1,-1,2)
54.02	1.6977	5.3	(0,0,2)
56.91	1.6179	13.3	(1,2,0)
58.39	1.5803	8.3	(2,0,1)
58.77	1.5711	4.1	(1,1,1)
59.82	1.5462	12.7	(3,0,0)
59.82	1.5461	3.3	(2,3,-2)
62.43	1.4876	9.5	(1,3,-1)

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Energy Properties

Formation Energy/atom

-0.57301

eV/atom

Energy/atom

-6.29062

eV/atom

Energy above Hull

0.0030

eV/atom

Uncorrected Energy

-18.4527

eV/atom

Volume/atom

19.82

Å³

c/a Ratio

1.0000

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

Y · 0.400

Element Family

4d-TM

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

0.3901

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.500%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3467

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-33.987

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.466

Family

Y-rich Multi-Component

Matrix Element

Y · 0.400

Related Tasks

Related computation task IDs (5)

aaaciupc aaaemjpw aaaeumwa aaafajza aaafwwua

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1068331

Reference Citation

The crystal structure and related material properties of Y2Ni2Sn were obtained from the Materials Project database (MP-ID: mp-1068331, 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_Y2Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43894151
_cell_length_b   5.43894151
_cell_length_c   5.43894151
_cell_angle_alpha   133.75776905
_cell_angle_beta   118.08415498
_cell_angle_gamma   80.65499617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Ni2Sn
_chemical_formula_sum   'Y2 Ni2 Sn1'
_cell_volume   99.10704986
_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
  Y  Y0  1  0.70322189  0.20322189  0.50000000  1.0
  Y  Y1  1  0.29677811  0.79677811  0.50000000  1.0
  Ni  Ni2  1  0.71179623  0.50000000  0.21179623  1.0
  Ni  Ni3  1  0.28820377  0.50000000  0.78820377  1.0
  Sn  Sn4  1  -0.00000000  -0.00000000  -0.00000000  1.0

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