K(GePt)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3200891 · Space group: I4 (#79)

Materials Project API

Basic Information

Formula

K(GePt)4

MP-ID

mp-3200891

Elements

Sites

Density

10.3271

g/cm³

Volume

178.48

Å³

Cell a

6.5617

Cell b

6.5617

Cell c

6.5617

α Angle

97.62

β Angle

97.62

γ Angle

137.29

Space Group

Point Group

Crystal System

Tetragonal

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
14.49	6.1111	100.0	(1,-1,0)
20.55	4.3212	38.2	(1,-1,1)
20.55	4.3212	38.2	(1,-1,-1)
21.24	4.1823	1.3	(1,0,-1)
29.23	3.0555	20.7	(2,-2,0)
29.73	3.0052	68.6	(2,-1,0)
29.73	3.0052	44.1	(1,-2,1)
32.77	2.7330	22.7	(2,-2,1)
32.77	2.7330	74.8	(1,-1,2)
37.64	2.3896	64.7	(1,1,-1)
40.53	2.2255	12.7	(2,0,-1)
40.53	2.2255	12.7	(1,1,0)
41.81	2.1606	12.1	(2,-2,2)
41.81	2.1606	12.1	(2,-2,-2)
42.18	2.1426	27.4	(3,-2,0)
42.18	2.1426	9.1	(0,1,2)
43.27	2.0912	16.5	(2,0,-2)
43.27	2.0912	16.5	(0,2,-2)
44.48	2.0370	26.0	(3,-3,0)
44.48	2.0370	26.0	(0,0,3)
47.02	1.9325	3.5	(3,-3,1)
47.36	1.9196	57.6	(3,-2,1)
47.36	1.9196	57.6	(2,-3,-1)
48.35	1.8823	3.0	(3,-1,-1)

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Energy Properties

Formation Energy/atom

-0.52515

eV/atom

Energy/atom

-30.24259

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.2426

eV/atom

Volume/atom

19.83

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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 · 0.444

Element Family

PostTransition-Noble

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9650

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.0227

J/mol·K

Ω Parameter

1.7175

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

20.054%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4354

smaller = more stable mixing

VEC

6.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.927

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8783

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.498

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.444

Related Tasks

Related computation task IDs (1)

aaahadbf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3200891

Reference Citation

The crystal structure and related material properties of K(GePt)4 were obtained from the Materials Project database (MP-ID: mp-3200891, 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_K(GePt)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56166440
_cell_length_b   6.56166319
_cell_length_c   6.56166357
_cell_angle_alpha   97.62127591
_cell_angle_beta   97.62127533
_cell_angle_gamma   137.28619190
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K(GePt)4
_chemical_formula_sum   'K1 Ge4 Pt4'
_cell_volume   178.48052954
_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  0.29712761  0.29712761  1.00000000  1.0
  Ge  Ge1  1  0.38137680  0.88247146  0.26316337  1.0
  Ge  Ge2  1  0.61930709  0.11821243  0.73683663  1.0
  Ge  Ge3  1  0.11821243  0.38137680  0.49890534  1.0
  Ge  Ge4  1  0.88247146  0.61930709  0.50109466  1.0
  Pt  Pt5  1  0.17248809  0.67570611  0.84744190  1.0
  Pt  Pt6  1  0.82826421  0.32504619  0.15255810  1.0
  Pt  Pt7  1  0.32504619  0.17248809  0.49678198  1.0
  Pt  Pt8  1  0.67570611  0.82826421  0.50321802  1.0

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