Ga4PdPt7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294862 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Ga4PdPt7

MP-ID

mp-3294862

Elements

Sites

Density

16.2632

g/cm³

Volume

178.77

Å³

Cell a

4.0625

Cell b

5.5729

Cell c

7.8969

α Angle

89.45

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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
11.21	7.8965	3.0	(0,0,1)
15.90	5.5726	1.4	(0,1,0)
19.41	4.5737	3.9	(0,1,1)
19.59	4.5326	2.4	(0,1,-1)
24.64	3.6124	4.1	(1,0,1)
27.56	3.2363	10.5	(0,1,2)
27.82	3.2072	3.8	(0,1,-2)
29.41	3.0373	6.5	(1,1,1)
29.53	3.0252	17.1	(1,1,-1)
35.46	2.5313	22.4	(1,1,2)
35.67	2.5173	25.4	(1,1,-2)
37.65	2.3889	11.3	(0,1,3)
37.94	2.3713	13.0	(0,1,-3)
39.21	2.2978	78.5	(1,2,0)
39.40	2.2869	15.6	(0,2,2)
39.77	2.2663	13.9	(0,2,-2)
40.81	2.2110	35.4	(1,2,1)
40.85	2.2090	100.0	(1,0,3)
40.99	2.2016	32.3	(1,2,-1)
43.97	2.0592	9.8	(1,1,3)
44.23	2.0479	5.2	(1,1,-3)
44.61	2.0312	56.0	(2,0,0)
45.52	1.9928	1.5	(1,2,2)
45.85	1.9792	1.2	(1,2,-2)

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Energy Properties

Formation Energy/atom

-0.60330

eV/atom

Energy/atom

-36.36543

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-36.3654

eV/atom

Volume/atom

14.90

Å³

c/a Ratio

1.9439

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

Pt · 0.583

Element Family

5d-TM

Solute Fraction

0.417

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8877

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.3803

J/mol·K

Ω Parameter

0.4534

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.344%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2179

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-23.502

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8080

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.589

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.583

Related Tasks

Related computation task IDs (1)

aaahfmbm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294862

Reference Citation

The crystal structure and related material properties of Ga4PdPt7 were obtained from the Materials Project database (MP-ID: mp-3294862, 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_Ga4PdPt7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06245171
_cell_length_b   5.57289406
_cell_length_c   7.89685757
_cell_angle_alpha   89.45132512
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga4PdPt7
_chemical_formula_sum   'Ga4 Pd1 Pt7'
_cell_volume   178.77360213
_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
  Ga  Ga0  1  0.75000000  0.20228213  0.39236675  1.0
  Ga  Ga1  1  0.25000000  0.79797604  0.60514414  1.0
  Ga  Ga2  1  0.75000000  0.70507491  0.10870883  1.0
  Ga  Ga3  1  0.25000000  0.29763213  0.89337046  1.0
  Pd  Pd4  1  0.25000000  0.45642975  0.20440807  1.0
  Pt  Pt5  1  0.75000000  0.16119200  0.06901138  1.0
  Pt  Pt6  1  0.25000000  0.84018668  0.93056487  1.0
  Pt  Pt7  1  0.75000000  0.65767956  0.43100644  1.0
  Pt  Pt8  1  0.25000000  0.34082408  0.56889207  1.0
  Pt  Pt9  1  0.75000000  0.04313955  0.70556920  1.0
  Pt  Pt10  1  0.25000000  0.95504589  0.29316878  1.0
  Pt  Pt11  1  0.75000000  0.54253528  0.79779001  1.0

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