La2Ga3Ni2Sn

High-Entropy Materials HEA

MP-ID: mp-3247766 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

La2Ga3Ni2Sn

MP-ID

mp-3247766

Elements

Sites

Density

7.2504

g/cm³

Volume

165.61

Å³

Cell a

9.1871

Cell b

9.1871

Cell c

4.3025

α Angle

90.00

β Angle

90.00

γ Angle

152.87

Space Group

Amm2

Point Group

mm2

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
9.90	8.9308	1.6	(1,-1,0)
19.88	4.4654	1.1	(2,-2,0)
21.21	4.1896	1.4	(1,0,0)
25.51	3.4912	7.7	(2,-1,0)
28.82	3.0983	33.2	(2,-2,1)
29.76	3.0016	23.8	(1,0,1)
30.02	2.9769	4.4	(3,-3,0)
32.56	2.7504	5.5	(3,-2,0)
32.56	2.7504	5.5	(2,-3,0)
33.04	2.7110	100.0	(2,-1,1)
36.71	2.4481	8.3	(3,-3,1)
38.86	2.3173	5.2	(3,-2,1)
40.40	2.2327	1.3	(4,-4,0)
41.11	2.1957	19.1	(4,-3,0)
41.11	2.1957	19.1	(3,-4,0)
41.92	2.1549	30.3	(1,1,0)
42.00	2.1512	30.2	(0,0,2)
45.79	1.9818	17.6	(4,-4,1)
46.43	1.9557	2.9	(4,-3,1)
46.43	1.9557	2.9	(3,-4,1)
49.79	1.8315	2.4	(2,-1,2)
51.67	1.7691	6.6	(3,-1,1)
51.67	1.7691	6.6	(1,-3,1)
52.48	1.7436	1.9	(3,-3,2)

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Energy Properties

Formation Energy/atom

-0.69759

eV/atom

Energy/atom

-18.51352

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.5135

eV/atom

Volume/atom

20.70

Å³

c/a Ratio

0.4683

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

Ga · 0.375

Element Family

PostTransition-Noble

Solute Fraction

0.625

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3209

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.9819

J/mol·K

Ω Parameter

0.3315

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.461%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3368

smaller = more stable mixing

VEC

4.875

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-30.043

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9528

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcukc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247766

Reference Citation

The crystal structure and related material properties of La2Ga3Ni2Sn were obtained from the Materials Project database (MP-ID: mp-3247766, 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_La2Ga3Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18711027
_cell_length_b   9.18710942
_cell_length_c   4.30248193
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   152.86854718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Ga3Ni2Sn
_chemical_formula_sum   'La2 Ga3 Ni2 Sn1'
_cell_volume   165.60507609
_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  0.13851615  0.86148385  0.00000000  1.0
  La  La1  1  0.86354105  0.13645895  0.00000000  1.0
  Ga  Ga2  1  0.50134356  0.49865644  0.00000000  1.0
  Ga  Ga3  1  0.00075555  0.99924445  0.50000000  1.0
  Ga  Ga4  1  0.70188352  0.29811648  0.50000000  1.0
  Ni  Ni5  1  0.43320985  0.56679015  0.50000000  1.0
  Ni  Ni6  1  0.57000035  0.42999965  0.50000000  1.0
  Sn  Sn7  1  0.29074797  0.70925203  0.50000000  1.0

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