La2Ni2Ag

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3247754 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

La2Ni2Ag

MP-ID

mp-3247754

Elements

Sites

Density

7.6295

g/cm³

Volume

109.49

Å³

Cell a

7.3715

Cell b

7.3715

Cell c

3.8233

α Angle

90.00

β Angle

90.00

γ Angle

148.20

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
12.49	7.0894	1.8	(1,-1,0)
25.12	3.5447	5.8	(2,-2,0)
26.49	3.3651	1.4	(1,-1,1)
29.08	3.0707	33.0	(2,-1,0)
32.87	2.7250	100.0	(1,0,1)
34.50	2.5994	67.3	(2,-2,1)
37.57	2.3942	30.2	(2,-1,1)
38.08	2.3631	10.0	(3,-3,0)
38.80	2.3210	38.0	(3,-2,0)
44.88	2.0198	24.7	(1,1,0)
45.73	1.9840	4.8	(3,-2,1)
47.57	1.9117	20.8	(0,0,2)
50.40	1.8107	8.1	(4,-3,0)
51.57	1.7723	3.7	(4,-4,0)
52.12	1.7549	1.7	(3,-1,0)
54.54	1.6826	1.5	(2,-2,2)
56.21	1.6364	13.8	(4,-3,1)
56.72	1.6229	10.1	(2,-1,2)
57.30	1.6080	5.0	(4,-4,1)
57.81	1.5949	29.5	(3,-1,1)
60.28	1.5354	5.0	(4,-2,0)
62.49	1.4862	4.4	(3,-3,2)
62.99	1.4756	17.2	(3,-2,2)
67.46	1.3884	14.0	(1,1,2)

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Energy Properties

Formation Energy/atom

-0.30410

eV/atom

Energy/atom

-21.26588

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.2659

eV/atom

Volume/atom

21.90

Å³

c/a Ratio

0.5187

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

La · 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

0.4744

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

20.685%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4002

smaller = more stable mixing

VEC

7.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-26.170

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

La-rich Multi-Component

Matrix Element

La · 0.400

Related Tasks

Related computation task IDs (1)

aaahcujq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247754

Reference Citation

The crystal structure and related material properties of La2Ni2Ag were obtained from the Materials Project database (MP-ID: mp-3247754, 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_La2Ni2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37148059
_cell_length_b   7.37148065
_cell_length_c   3.82331115
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   148.19554565
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Ni2Ag
_chemical_formula_sum   'La2 Ni2 Ag1'
_cell_volume   109.49082686
_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
  La  La0  1  0.63507718  0.36492282  0.50000000  1.0
  La  La1  1  0.36492282  0.63507718  0.50000000  1.0
  Ni  Ni2  1  0.80100290  0.19899710  0.00000000  1.0
  Ni  Ni3  1  0.19899710  0.80100290  0.00000000  1.0
  Ag  Ag4  1  0.00000000  0.00000000  0.00000000  1.0

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