Sm2Ni2Ag

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3252546 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Sm2Ni2Ag

MP-ID

mp-3252546

Elements

Sites

Density

8.6178

g/cm³

Volume

101.35

Å³

Cell a

7.2069

Cell b

7.2069

Cell c

3.7254

α Angle

90.00

β Angle

90.00

γ Angle

148.41

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
12.77	6.9349	2.5	(1,-1,0)
23.57	3.7748	2.8	(1,0,0)
23.89	3.7254	2.0	(0,0,1)
25.69	3.4674	11.1	(2,-2,0)
27.17	3.2819	1.7	(1,-1,1)
29.87	2.9912	50.2	(2,-1,0)
33.80	2.6516	71.4	(1,0,1)
33.80	2.6516	71.4	(0,1,1)
35.36	2.5382	100.0	(2,-2,1)
38.60	2.3324	45.5	(2,-1,1)
38.96	2.3116	12.8	(3,-3,0)
39.80	2.2649	27.1	(3,-2,0)
39.80	2.2649	27.1	(2,-3,0)
46.29	1.9614	34.7	(1,1,0)
46.95	1.9353	2.1	(3,-2,1)
46.95	1.9353	2.1	(2,-3,1)
48.90	1.8627	29.4	(0,0,2)
51.68	1.7686	12.6	(4,-3,0)
52.80	1.7337	6.1	(4,-4,0)
53.69	1.7072	3.2	(3,-1,0)
56.04	1.6409	2.8	(2,-2,2)
57.70	1.5977	20.4	(4,-3,1)
58.36	1.5812	7.6	(2,-1,2)
58.36	1.5812	7.6	(1,-2,2)

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Energy Properties

Formation Energy/atom

-0.33947

eV/atom

Energy/atom

-21.29650

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.2965

eV/atom

Volume/atom

20.27

Å³

c/a Ratio

0.5169

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

Sm · 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

2.8900

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.111%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3659

smaller = more stable mixing

VEC

8.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

4.480

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

Sm-rich Multi-Component

Matrix Element

Sm · 0.400

Related Tasks

Related computation task IDs (1)

aaahdbly

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252546

Reference Citation

The crystal structure and related material properties of Sm2Ni2Ag were obtained from the Materials Project database (MP-ID: mp-3252546, 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_Sm2Ni2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20692058
_cell_length_b   7.20692018
_cell_length_c   3.72542216
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   148.41444919
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Ni2Ag
_chemical_formula_sum   'Sm2 Ni2 Ag1'
_cell_volume   101.34830043
_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
  Sm  Sm0  1  0.63424349  0.36575651  0.50000000  1.0
  Sm  Sm1  1  0.36575651  0.63424349  0.50000000  1.0
  Ni  Ni2  1  0.80029246  0.19970754  0.00000000  1.0
  Ni  Ni3  1  0.19970754  0.80029246  0.00000000  1.0
  Ag  Ag4  1  0.00000000  0.00000000  0.00000000  1.0

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