La3(Sn3Pd2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-31295 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

La3(Sn3Pd2)2

MP-ID

mp-31295

Elements

Sites

Density

8.1268

g/cm³

Volume

1,270.64

Å³

Cell a

4.6854

Cell b

15.8453

Cell c

17.1149

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

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
11.17	7.9227	2.2	(0,2,0)
12.31	7.1897	3.9	(0,2,1)
15.24	5.8136	1.2	(0,2,2)
19.75	4.4946	1.1	(0,3,2)
19.76	4.4931	2.2	(1,1,0)
27.08	3.2932	4.2	(1,2,3)
28.25	3.1595	3.7	(1,0,4)
28.81	3.0985	18.3	(1,1,4)
29.92	2.9864	1.7	(1,3,3)
30.07	2.9718	1.4	(0,5,2)
30.46	2.9348	6.9	(1,2,4)
30.76	2.9068	1.9	(0,4,4)
31.14	2.8725	3.3	(0,3,5)
31.36	2.8525	3.9	(0,0,6)
31.36	2.8521	100.0	(1,4,2)
31.88	2.8074	1.3	(0,1,6)
32.31	2.7703	7.7	(0,5,3)
32.89	2.7229	38.4	(1,1,5)
33.04	2.7114	4.0	(1,3,4)
33.39	2.6838	3.2	(0,2,6)
33.53	2.6726	3.6	(1,4,3)
33.95	2.6409	3.7	(0,6,0)
34.36	2.6100	9.0	(0,6,1)
34.36	2.6097	4.9	(1,2,5)

Get direct link

Energy Properties

Formation Energy/atom

-0.82348

eV/atom

Energy/atom

-5.40694

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-5.4069

eV/atom

Volume/atom

24.44

Å³

c/a Ratio

3.6528

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

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

Sn · 0.462

Element Family

PostTransition-Noble

Solute Fraction

0.538

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0579

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7954

J/mol·K

Ω Parameter

0.2415

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.865%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4158

smaller = more stable mixing

VEC

5.615

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-38.997

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9629

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.654

Family

Sn-rich Multi-Component

Matrix Element

Sn · 0.462

Related Tasks

Related computation task IDs (2)

aaacejpa aaaebdjk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-31295

Reference Citation

The crystal structure and related material properties of La3(Sn3Pd2)2 were obtained from the Materials Project database (MP-ID: mp-31295, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_La3(Sn3Pd2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68543600
_cell_length_b   15.84529300
_cell_length_c   17.11487200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3(Sn3Pd2)2
_chemical_formula_sum   'La12 Sn24 Pd16'
_cell_volume   1270.64414553
_cell_formula_units_Z   4
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  0.25000000  0.88196600  0.14163300  1.0
  La  La1  1  0.75000000  0.11803400  0.85836700  1.0
  La  La2  1  0.75000000  0.38196600  0.35836700  1.0
  La  La3  1  0.25000000  0.61803400  0.64163300  1.0
  La  La4  1  0.25000000  0.01721100  0.35066100  1.0
  La  La5  1  0.75000000  0.98278900  0.64933900  1.0
  La  La6  1  0.75000000  0.51721100  0.14933900  1.0
  La  La7  1  0.25000000  0.48278900  0.85066100  1.0
  La  La8  1  0.25000000  0.75137000  0.38405900  1.0
  La  La9  1  0.75000000  0.24863000  0.61594100  1.0
  La  La10  1  0.75000000  0.25137000  0.11594100  1.0
  La  La11  1  0.25000000  0.74863000  0.88405900  1.0
  Sn  Sn12  1  0.25000000  0.58228800  0.02582100  1.0
  Sn  Sn13  1  0.75000000  0.41771200  0.97417900  1.0
  Sn  Sn14  1  0.75000000  0.08228800  0.47417900  1.0
  Sn  Sn15  1  0.25000000  0.91771200  0.52582100  1.0
  Sn  Sn16  1  0.25000000  0.10570900  0.17118000  1.0
  Sn  Sn17  1  0.75000000  0.89429100  0.82882000  1.0
  Sn  Sn18  1  0.75000000  0.60570900  0.32882000  1.0
  Sn  Sn19  1  0.25000000  0.39429100  0.67118000  1.0
  Sn  Sn20  1  0.25000000  0.66334800  0.18909200  1.0
  Sn  Sn21  1  0.75000000  0.33665200  0.81090800  1.0
  Sn  Sn22  1  0.75000000  0.16334800  0.31090800  1.0
  Sn  Sn23  1  0.25000000  0.83665200  0.68909200  1.0
  Sn  Sn24  1  0.25000000  0.37959300  0.20631000  1.0
  Sn  Sn25  1  0.75000000  0.62040700  0.79369000  1.0
  Sn  Sn26  1  0.75000000  0.87959300  0.29369000  1.0
  Sn  Sn27  1  0.25000000  0.12040700  0.70631000  1.0
  Sn  Sn28  1  0.25000000  0.22986200  0.44294600  1.0
  Sn  Sn29  1  0.75000000  0.77013800  0.55705400  1.0
  Sn  Sn30  1  0.75000000  0.72986200  0.05705400  1.0
  Sn  Sn31  1  0.25000000  0.27013800  0.94294600  1.0
  Sn  Sn32  1  0.25000000  0.53833400  0.44760300  1.0
  Sn  Sn33  1  0.75000000  0.46166600  0.55239700  1.0
  Sn  Sn34  1  0.75000000  0.03833400  0.05239700  1.0
  Sn  Sn35  1  0.25000000  0.96166600  0.94760300  1.0
  Pd  Pd36  1  0.25000000  0.12130100  0.01129400  1.0
  Pd  Pd37  1  0.75000000  0.87869900  0.98870600  1.0
  Pd  Pd38  1  0.75000000  0.62130100  0.48870600  1.0
  Pd  Pd39  1  0.25000000  0.37869900  0.51129400  1.0
  Pd  Pd40  1  0.25000000  0.40028500  0.04781100  1.0
  Pd  Pd41  1  0.75000000  0.59971500  0.95218900  1.0
  Pd  Pd42  1  0.75000000  0.90028500  0.45218900  1.0
  Pd  Pd43  1  0.25000000  0.09971500  0.54781100  1.0
  Pd  Pd44  1  0.25000000  0.23354700  0.28257900  1.0
  Pd  Pd45  1  0.75000000  0.76645300  0.71742100  1.0
  Pd  Pd46  1  0.75000000  0.73354700  0.21742100  1.0
  Pd  Pd47  1  0.25000000  0.26645300  0.78257900  1.0
  Pd  Pd48  1  0.25000000  0.52535100  0.29071800  1.0
  Pd  Pd49  1  0.75000000  0.47464900  0.70928200  1.0
  Pd  Pd50  1  0.75000000  0.02535100  0.20928200  1.0
  Pd  Pd51  1  0.25000000  0.97464900  0.79071800  1.0

Get direct link