K2CdPt2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202651 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

K2CdPt2

MP-ID

mp-3202651

Elements

Sites

Density

7.3731

g/cm³

Volume

130.80

Å³

Cell a

6.3025

Cell b

6.3025

Cell c

6.3025

α Angle

137.02

β Angle

128.70

γ Angle

69.10

Space Group

Immm

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
17.08	5.1910	100.0	(1,1,-1)
18.37	4.8299	3.6	(1,0,0)
21.06	4.2194	19.8	(0,1,0)
21.06	4.2194	19.8	(1,0,-1)
25.27	3.5250	1.6	(0,0,1)
30.59	2.9224	3.0	(2,1,-1)
30.59	2.9224	3.0	(1,2,-2)
30.66	2.9162	18.6	(1,1,0)
30.66	2.9162	6.2	(1,1,-2)
32.33	2.7694	12.8	(1,2,-1)
32.33	2.7694	12.8	(2,1,-2)
32.83	2.7282	3.7	(1,-1,1)
34.56	2.5955	27.7	(2,2,-2)
37.23	2.4150	17.7	(2,0,0)
39.01	2.3090	23.7	(1,-1,-1)
39.33	2.2910	73.9	(1,0,1)
42.87	2.1097	10.2	(0,2,0)
42.87	2.1097	10.2	(2,0,-2)
43.29	2.0901	1.3	(2,2,-1)
43.29	2.0901	1.3	(3,1,-2)
46.74	1.9435	8.0	(2,1,0)
46.74	1.9435	24.1	(3,0,-1)
48.04	1.8938	1.5	(2,3,-2)
48.04	1.8938	1.5	(3,2,-3)

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Energy Properties

Formation Energy/atom

-0.24783

eV/atom

Energy/atom

-27.27122

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.2712

eV/atom

Volume/atom

26.16

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

K · 0.400

Element Family

Alkali-AlkEarth

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

2.1021

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

21.850%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6553

smaller = more stable mixing

VEC

6.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.464

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

K-rich Multi-Component

Matrix Element

K · 0.400

Related Tasks

Related computation task IDs (1)

aaahafqx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202651

Reference Citation

The crystal structure and related material properties of K2CdPt2 were obtained from the Materials Project database (MP-ID: mp-3202651, 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_K2CdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30245105
_cell_length_b   6.30245120
_cell_length_c   6.30245023
_cell_angle_alpha   137.01647331
_cell_angle_beta   128.70021314
_cell_angle_gamma   69.09647831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CdPt2
_chemical_formula_sum   'K2 Cd1 Pt2'
_cell_volume   130.79943743
_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  0.29617795  0.79617795  0.50000000  1.0
  K  K1  1  0.70382205  0.20382205  0.50000000  1.0
  Cd  Cd2  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt3  1  0.73768533  0.50000000  0.23768533  1.0
  Pt  Pt4  1  0.26231467  0.50000000  0.76231467  1.0

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