LaSnPt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3076 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

LaSnPt

MP-ID

mp-3076

Elements

Sites

Density

10.6224

g/cm³

Volume

283.07

Å³

Cell a

4.6420

Cell b

7.5793

Cell c

8.0458

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
16.07	5.5169	8.0	(0,1,1)
22.10	4.0229	1.1	(0,0,2)
22.11	4.0208	2.7	(1,0,1)
23.48	3.7896	8.7	(0,2,0)
25.06	3.5534	7.1	(0,1,2)
25.07	3.5519	13.5	(1,1,1)
25.99	3.4284	1.2	(0,2,1)
30.45	2.9356	1.1	(1,2,0)
31.71	2.8216	57.3	(1,1,2)
32.46	2.7585	32.5	(0,2,2)
32.47	2.7578	100.0	(1,2,1)
35.51	2.5283	7.8	(0,1,3)
37.31	2.4104	38.3	(0,3,1)
38.78	2.3222	70.2	(1,0,3)
38.80	2.3210	50.1	(2,0,0)
40.63	2.2203	1.8	(1,1,3)
42.24	2.1395	7.7	(0,3,2)
42.24	2.1394	1.5	(2,1,1)
42.25	2.1392	6.0	(1,3,1)
45.07	2.0115	4.7	(0,0,4)
45.83	1.9800	17.5	(1,2,3)
45.85	1.9793	3.2	(2,2,0)
46.75	1.9432	2.7	(2,1,2)
46.75	1.9431	12.3	(1,3,2)

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Energy Properties

Formation Energy/atom

-1.15016

eV/atom

Energy/atom

-36.47639

eV/atom

Energy above Hull

0.0230

eV/atom

Uncorrected Energy

-6.0609

eV/atom

Volume/atom

23.59

Å³

c/a Ratio

1.7333

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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 · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

0.2606

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.891%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4983

smaller = more stable mixing

VEC

5.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-43.689

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.414

Family

La-rich Multi-Component

Matrix Element

La · 0.333

Related Tasks

Related computation task IDs (6)

aaadjyrk aaadnfya aaadsolp aaadyvhy aaaeudlu aaafyiok

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3076

Reference Citation

The crystal structure and related material properties of LaSnPt were obtained from the Materials Project database (MP-ID: mp-3076, 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…

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Raw CIF Data

# generated using pymatgen
data_LaSnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64194870
_cell_length_b   7.57926586
_cell_length_c   8.04579489
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSnPt
_chemical_formula_sum   'La4 Sn4 Pt4'
_cell_volume   283.07168806
_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  0.75000000  0.48343700  0.19334009  1.0
  La  La1  1  0.25000000  0.01656300  0.69334009  1.0
  La  La2  1  0.75000000  0.98343700  0.30665991  1.0
  La  La3  1  0.25000000  0.51656300  0.80665991  1.0
  Sn  Sn4  1  0.25000000  0.67217080  0.41738274  1.0
  Sn  Sn5  1  0.25000000  0.17217080  0.08261726  1.0
  Sn  Sn6  1  0.75000000  0.32782920  0.58261726  1.0
  Sn  Sn7  1  0.75000000  0.82782920  0.91738274  1.0
  Pt  Pt8  1  0.25000000  0.79170031  0.09255821  1.0
  Pt  Pt9  1  0.25000000  0.29170031  0.40744179  1.0
  Pt  Pt10  1  0.75000000  0.70829969  0.59255821  1.0
  Pt  Pt11  1  0.75000000  0.20829969  0.90744179  1.0

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