AcLa(Sn2Pd)2

High-Entropy Materials HEA

MP-ID: mp-3247336 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

AcLa(Sn2Pd)2

MP-ID

mp-3247336

Elements

Sites

Density

8.3951

g/cm³

Volume

208.40

Å³

Cell a

9.8870

Cell b

9.8870

Cell c

4.6906

α Angle

90.00

β Angle

90.00

γ Angle

152.97

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
9.20	9.6132	23.3	(1,-1,0)
18.92	4.6906	2.2	(0,0,1)
19.76	4.4936	3.6	(1,0,0)
21.07	4.2156	1.8	(1,-1,1)
23.74	3.7486	7.6	(2,-1,0)
26.55	3.3570	7.9	(2,-2,1)
27.49	3.2449	34.9	(1,0,1)
27.84	3.2044	9.3	(3,-3,0)
30.24	2.9559	73.3	(3,-2,0)
30.53	2.9284	100.0	(1,-2,1)
30.53	2.9284	100.0	(2,-1,1)
33.88	2.6459	61.5	(3,-3,1)
35.91	2.5008	17.1	(3,-2,1)
37.42	2.4033	1.9	(4,-4,0)
38.38	2.3453	64.8	(0,0,2)
38.98	2.3108	62.1	(1,1,0)
39.55	2.2785	1.5	(1,-1,2)
40.13	2.2468	1.4	(2,0,0)
42.25	2.1389	30.2	(4,-4,1)
42.88	2.1090	19.2	(4,-3,1)
45.63	1.9882	3.1	(2,-1,2)
46.85	1.9391	31.0	(5,-4,0)
47.78	1.9035	3.1	(3,-1,1)
48.08	1.8926	4.5	(3,-3,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.84795

eV/atom

Energy/atom

-31.25893

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.2589

eV/atom

Volume/atom

26.05

Å³

c/a Ratio

0.4744

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0010

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 · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2130

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0849

J/mol·K

Ω Parameter

0.4549

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.776%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4187

smaller = more stable mixing

VEC

5.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-22.702

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8750

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahctto

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247336

Reference Citation

The crystal structure and related material properties of AcLa(Sn2Pd)2 were obtained from the Materials Project database (MP-ID: mp-3247336, 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_AcLa(Sn2Pd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88700331
_cell_length_b   9.88700360
_cell_length_c   4.69062960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   152.96730401
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcLa(Sn2Pd)2
_chemical_formula_sum   'Ac1 La1 Sn4 Pd2'
_cell_volume   208.39789597
_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
  Ac  Ac0  1  0.89133518  0.10866482  0.75000000  1.0
  La  La1  1  0.10864097  0.89135903  0.25000000  1.0
  Sn  Sn2  1  0.24935693  0.75064307  0.75000000  1.0
  Sn  Sn3  1  0.74735671  0.25264329  0.25000000  1.0
  Sn  Sn4  1  0.54338381  0.45661619  0.75000000  1.0
  Sn  Sn5  1  0.45977659  0.54022341  0.25000000  1.0
  Pd  Pd6  1  0.67799924  0.32200076  0.75000000  1.0
  Pd  Pd7  1  0.32215057  0.67784943  0.25000000  1.0

Get direct link