La(In2Pd)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294882 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

La(In2Pd)2

MP-ID

mp-3294882

Elements

Sites

Density

8.6490

g/cm³

Volume

622.84

Å³

Cell a

4.6503

Cell b

7.1802

Cell c

18.6537

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
19.03	4.6634	2.2	(0,0,4)
26.61	3.3504	1.0	(0,2,2)
26.93	3.3105	3.3	(0,1,5)
28.71	3.1091	1.6	(0,2,3)
28.71	3.1089	3.1	(0,0,6)
31.45	2.8447	9.1	(0,2,4)
31.85	2.8093	11.1	(1,2,1)
32.95	2.7184	100.0	(1,2,2)
33.22	2.6969	60.6	(1,1,5)
34.71	2.5846	25.5	(1,0,6)
35.95	2.4983	27.5	(0,1,7)
37.05	2.4267	1.6	(1,2,4)
37.90	2.3739	1.7	(0,3,1)
38.30	2.3502	6.9	(0,2,6)
38.61	2.3317	6.9	(0,0,8)
38.73	2.3251	51.2	(2,0,0)
39.88	2.2606	4.8	(1,2,5)
40.38	2.2336	14.8	(0,3,3)
42.24	2.1398	3.6	(0,2,7)
42.45	2.1293	2.6	(0,3,4)
42.77	2.1144	5.7	(1,3,1)
43.13	2.0975	24.0	(1,2,6)
43.41	2.0844	7.6	(1,0,8)
43.63	2.0748	11.2	(1,3,2)

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Energy Properties

Formation Energy/atom

-0.68451

eV/atom

Energy/atom

-24.39595

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.3960

eV/atom

Volume/atom

22.24

Å³

c/a Ratio

4.0113

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

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

In · 0.571

Element Family

PostTransition-Noble

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

0.2794

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.489%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3405

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-26.678

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.562

Family

In-rich Multi-Component

Matrix Element

In · 0.571

Related Tasks

Related computation task IDs (1)

aaahfmcg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294882

Reference Citation

The crystal structure and related material properties of La(In2Pd)2 were obtained from the Materials Project database (MP-ID: mp-3294882, 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_La(In2Pd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65027535
_cell_length_b   7.18014841
_cell_length_c   18.65364882
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La(In2Pd)2
_chemical_formula_sum   'La4 In16 Pd8'
_cell_volume   622.83912515
_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  0.98221648  0.63999937  1.0
  La  La1  1  0.25000000  0.01778352  0.36000063  1.0
  La  La2  1  0.25000000  0.48221648  0.86000063  1.0
  La  La3  1  0.75000000  0.51778352  0.13999937  1.0
  In  In4  1  0.25000000  0.26992572  0.69303278  1.0
  In  In5  1  0.75000000  0.73007428  0.30696722  1.0
  In  In6  1  0.75000000  0.76992572  0.80696722  1.0
  In  In7  1  0.25000000  0.23007428  0.19303278  1.0
  In  In8  1  0.25000000  0.67762006  0.68473638  1.0
  In  In9  1  0.75000000  0.32237994  0.31526362  1.0
  In  In10  1  0.75000000  0.17762006  0.81526362  1.0
  In  In11  1  0.25000000  0.82237994  0.18473638  1.0
  In  In12  1  0.25000000  0.15876138  0.53429709  1.0
  In  In13  1  0.75000000  0.84123862  0.46570291  1.0
  In  In14  1  0.75000000  0.65876138  0.96570291  1.0
  In  In15  1  0.25000000  0.34123862  0.03429709  1.0
  In  In16  1  0.25000000  0.49530019  0.42905239  1.0
  In  In17  1  0.75000000  0.50469981  0.57094761  1.0
  In  In18  1  0.75000000  0.99530019  0.07094761  1.0
  In  In19  1  0.25000000  0.00469981  0.92905239  1.0
  Pd  Pd20  1  0.25000000  0.75458737  0.53829679  1.0
  Pd  Pd21  1  0.75000000  0.24541263  0.46170321  1.0
  Pd  Pd22  1  0.75000000  0.25458737  0.96170321  1.0
  Pd  Pd23  1  0.25000000  0.74541263  0.03829679  1.0
  Pd  Pd24  1  0.25000000  0.96996695  0.78294142  1.0
  Pd  Pd25  1  0.75000000  0.03003305  0.21705858  1.0
  Pd  Pd26  1  0.75000000  0.46996695  0.71705858  1.0
  Pd  Pd27  1  0.25000000  0.53003305  0.28294142  1.0

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