K4Ge8IrPt7

High-Entropy Materials HEA

MP-ID: mp-3294726 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

K4Ge8IrPt7

MP-ID

mp-3294726

Elements

Sites

Density

8.6048

g/cm³

Volume

442.95

Å³

Cell a

6.7207

Cell b

8.0566

Cell c

8.2184

α Angle

84.51

β Angle

90.20

γ Angle

89.83

Space Group

Point Group

Crystal System

Triclinic

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
10.81	8.1806	1.5	(0,0,1)
17.04	5.2025	99.6	(1,0,-1)
17.11	5.1834	100.0	(1,0,1)
17.19	5.1594	74.4	(1,1,0)
17.24	5.1426	73.5	(1,-1,0)
19.79	4.4856	2.3	(1,-1,-1)
19.80	4.4844	2.9	(1,1,1)
22.17	4.0098	5.1	(0,2,0)
23.76	3.7450	2.2	(0,2,1)
25.84	3.4485	1.0	(1,2,0)
25.91	3.4385	1.1	(1,-2,0)
26.53	3.3603	1.1	(2,0,0)
26.97	3.3064	18.2	(1,-1,-2)
27.01	3.3010	16.6	(1,1,2)
27.24	3.2733	23.4	(1,2,1)
27.28	3.2695	22.2	(1,-2,-1)
28.64	3.1174	1.7	(1,1,-2)
28.75	3.1055	1.4	(1,-1,2)
28.84	3.0956	1.1	(2,-1,0)
29.67	3.0111	19.3	(0,2,2)
30.46	2.9348	16.1	(2,-1,-1)
30.47	2.9341	17.0	(2,1,1)
31.17	2.8694	41.3	(2,1,-1)
31.31	2.8573	41.1	(2,-1,1)

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Energy Properties

Formation Energy/atom

-0.53076

eV/atom

Energy/atom

-27.92188

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.9219

eV/atom

Volume/atom

22.15

Å³

c/a Ratio

1.2229

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0008

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

Ge · 0.400

Element Family

PostTransition-Noble

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2056

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0236

J/mol·K

Ω Parameter

2.1450

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

23.956%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5409

smaller = more stable mixing

VEC

5.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.557

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8697

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflwg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294726

Reference Citation

The crystal structure and related material properties of K4Ge8IrPt7 were obtained from the Materials Project database (MP-ID: mp-3294726, 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

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Raw CIF Data

# generated using pymatgen
data_K4Ge8IrPt7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72068876
_cell_length_b   8.05662063
_cell_length_c   8.21838717
_cell_angle_alpha   84.50769679
_cell_angle_beta   90.19759232
_cell_angle_gamma   89.83022817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4Ge8IrPt7
_chemical_formula_sum   'K4 Ge8 Ir1 Pt7'
_cell_volume   442.94512531
_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
  K  K0  1  0.38244682  0.99976691  0.23488793  1.0
  K  K1  1  0.88012169  0.49976218  0.76390669  1.0
  K  K2  1  0.11975228  0.50350169  0.23252649  1.0
  K  K3  1  0.62088165  0.00117280  0.77232294  1.0
  Ge  Ge4  1  0.41846806  0.36307392  0.92992998  1.0
  Ge  Ge5  1  0.14255725  0.19644911  0.55014043  1.0
  Ge  Ge6  1  0.65130310  0.29928639  0.44893762  1.0
  Ge  Ge7  1  0.83835722  0.81126776  0.44852046  1.0
  Ge  Ge8  1  0.92622622  0.14088443  0.07855024  1.0
  Ge  Ge9  1  0.58919941  0.63627188  0.06606554  1.0
  Ge  Ge10  1  0.08355063  0.86254006  0.92846860  1.0
  Ge  Ge11  1  0.34700925  0.69157971  0.55030341  1.0
  Ir  Ir12  1  0.89247853  0.10458745  0.37547784  1.0
  Pt  Pt13  1  0.39246944  0.39029157  0.62600201  1.0
  Pt  Pt14  1  0.60554473  0.60324578  0.37138361  1.0
  Pt  Pt15  1  0.10576878  0.89364518  0.62490156  1.0
  Pt  Pt16  1  0.16772169  0.16179364  0.85521951  1.0
  Pt  Pt17  1  0.67050635  0.33791883  0.14647478  1.0
  Pt  Pt18  1  0.83370325  0.83972252  0.14410138  1.0
  Pt  Pt19  1  0.33193166  0.66323520  0.85188200  1.0

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