Y2Ni2Ag

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3201282 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Y2Ni2Ag

MP-ID

mp-3201282

Elements

Sites

Density

6.8820

g/cm³

Volume

97.26

Å³

Cell a

7.1474

Cell b

7.1474

Cell c

3.6188

α Angle

90.00

β Angle

90.00

γ Angle

148.26

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
23.66	3.7601	1.7	(1,0,0)
24.60	3.6188	3.0	(0,0,1)
30.05	2.9742	23.0	(2,-1,0)
34.40	2.6074	100.0	(1,0,1)
36.04	2.4923	63.8	(2,-2,1)
39.21	2.2978	18.2	(2,-1,1)
39.32	2.2917	10.2	(3,-3,0)
40.09	2.2492	47.5	(3,-2,0)
46.46	1.9545	25.1	(1,1,0)
46.93	1.9361	2.3	(3,-3,1)
47.60	1.9103	12.3	(3,-2,1)
50.44	1.8094	19.5	(0,0,2)
52.11	1.7552	5.1	(4,-3,0)
53.30	1.7188	2.7	(4,-4,0)
58.44	1.5792	8.4	(4,-3,1)
59.54	1.5525	3.2	(4,-4,1)
59.83	1.5458	3.1	(2,-1,2)
59.83	1.5458	3.1	(1,-2,2)
60.17	1.5380	27.1	(3,-1,1)
62.45	1.4871	4.9	(4,-2,0)
65.76	1.4201	4.2	(3,-3,2)
66.30	1.4098	19.8	(3,-2,2)
70.99	1.3278	13.2	(1,1,2)
71.20	1.3243	6.1	(5,-4,1)

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Energy Properties

Formation Energy/atom

-0.36570

eV/atom

Energy/atom

-17.55500

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.5550

eV/atom

Volume/atom

19.45

Å³

c/a Ratio

0.5063

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

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

0.5441

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.787%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3414

smaller = more stable mixing

VEC

7.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-26.725

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.468

Family

Y-rich Multi-Component

Matrix Element

Y · 0.400

Related Tasks

Related computation task IDs (1)

aaahadqg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3201282

Reference Citation

The crystal structure and related material properties of Y2Ni2Ag were obtained from the Materials Project database (MP-ID: mp-3201282, 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_Y2Ni2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14742264
_cell_length_b   7.14742244
_cell_length_c   3.61881142
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   148.25938047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Ni2Ag
_chemical_formula_sum   'Y2 Ni2 Ag1'
_cell_volume   97.25507666
_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  0.36620066  0.63379934  0.50000000  1.0
  Y  Y1  1  0.63379934  0.36620066  0.50000000  1.0
  Ni  Ni2  1  0.79988172  0.20011828  0.00000000  1.0
  Ni  Ni3  1  0.20011828  0.79988172  0.00000000  1.0
  Ag  Ag4  1  0.00000000  0.00000000  0.00000000  1.0

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