Gd4In2PdPt3

High-Entropy Materials HEA

MP-ID: mp-3249891 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Gd4In2PdPt3

MP-ID

mp-3249891

Elements

Sites

Density

11.4491

g/cm³

Volume

224.85

Å³

Cell a

7.7903

Cell b

7.7902

Cell c

3.7051

α Angle

90.00

β Angle

90.00

γ Angle

89.93

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
11.36	7.7903	5.1	(1,0,0)
11.36	7.7902	5.1	(0,1,0)
16.08	5.5118	11.5	(1,1,0)
16.10	5.5053	30.4	(1,-1,0)
22.83	3.8951	4.7	(2,0,0)
22.83	3.8951	4.7	(0,2,0)
24.02	3.7051	12.8	(0,0,1)
26.64	3.3459	1.1	(1,0,1)
26.64	3.3459	1.1	(0,1,1)
29.04	3.0749	1.7	(1,1,1)
32.49	2.7559	8.3	(2,2,0)
32.53	2.7526	16.9	(2,-2,0)
33.38	2.6846	37.3	(2,0,1)
33.38	2.6845	37.3	(0,2,1)
35.36	2.5387	100.0	(2,1,1)
35.36	2.5387	100.0	(1,2,1)
35.37	2.5375	96.4	(2,-1,1)
35.37	2.5374	96.4	(1,-2,1)
36.46	2.4644	41.4	(3,1,0)
36.46	2.4644	41.4	(1,3,0)
36.49	2.4626	36.7	(3,-1,0)
36.49	2.4626	36.7	(1,-3,0)
40.84	2.2096	1.5	(2,-2,1)
41.78	2.1618	8.0	(3,2,0)

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Energy Properties

Formation Energy/atom

-1.07891

eV/atom

Energy/atom

-40.69580

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.6958

eV/atom

Volume/atom

22.49

Å³

c/a Ratio

0.4756

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.3594

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.063860

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Gd · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2799

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6407

J/mol·K

Ω Parameter

0.3098

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.707%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4750

smaller = more stable mixing

VEC

5.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-52.043

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9232

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcxnv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249891

Reference Citation

The crystal structure and related material properties of Gd4In2PdPt3 were obtained from the Materials Project database (MP-ID: mp-3249891, 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_Gd4In2PdPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79028998
_cell_length_b   7.79018556
_cell_length_c   3.70506296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.93248203
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd4In2PdPt3
_chemical_formula_sum   'Gd4 In2 Pd1 Pt3'
_cell_volume   224.85198066
_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
  Gd  Gd0  1  0.32398563  0.83106051  0.50000000  1.0
  Gd  Gd1  1  0.83238485  0.66759375  0.50000000  1.0
  Gd  Gd2  1  0.17280043  0.32721750  0.50000000  1.0
  Gd  Gd3  1  0.66893354  0.17602709  0.50000000  1.0
  In  In4  1  0.99504996  0.00024261  0.00000000  1.0
  In  In5  1  0.49974857  0.50494676  0.00000000  1.0
  Pd  Pd6  1  0.63217669  0.86777547  0.00000000  1.0
  Pt  Pt7  1  0.37309792  0.12695182  0.00000000  1.0
  Pt  Pt8  1  0.87074517  0.36893060  0.00000000  1.0
  Pt  Pt9  1  0.13107724  0.62925388  0.00000000  1.0

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