CeInPt4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1071478 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

CeInPt4

MP-ID

mp-1071478

Elements

Sites

Density

15.4990

g/cm³

Volume

110.92

Å³

Cell a

5.3931

Cell b

5.3931

Cell c

5.3931

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
20.17	4.4035	33.5	(1,0,0)
33.22	2.6966	16.2	(1,2,1)
33.22	2.6966	8.1	(0,1,-1)
39.17	2.2996	50.0	(0,2,1)
39.17	2.2996	100.0	(2,1,0)
40.99	2.2017	81.5	(2,0,0)
47.70	1.9068	5.9	(0,2,2)
47.70	1.9068	11.9	(2,2,0)
52.28	1.7498	5.9	(1,3,1)
52.28	1.7498	2.9	(0,2,-1)
59.36	1.5569	3.0	(0,3,1)
59.36	1.5569	6.0	(3,1,0)
63.37	1.4678	12.3	(1,3,3)
63.37	1.4678	12.2	(3,0,0)
63.37	1.4678	24.5	(3,2,0)
69.75	1.3483	30.4	(2,4,2)
69.75	1.3483	15.2	(0,2,-2)
73.45	1.2892	2.2	(1,4,2)
73.45	1.2892	4.4	(4,2,1)
79.48	1.2059	1.3	(1,4,3)
79.48	1.2059	1.3	(3,4,1)
79.48	1.2059	1.3	(2,3,-1)
83.03	1.1631	5.8	(0,4,1)
83.03	1.1631	11.7	(4,1,0)

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Energy Properties

Formation Energy/atom

-0.80718

eV/atom

Energy/atom

-6.30396

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-44.1186

eV/atom

Volume/atom

18.49

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.1692

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.001530

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.667

Element Family

5d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

0.3580

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.026%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4352

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-32.444

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.626

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.667

Related Tasks

Related computation task IDs (5)

aaacizqv aaadsuii aaaemccb aaaeunzc aaafsbph

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1071478

Reference Citation

The crystal structure and related material properties of CeInPt4 were obtained from the Materials Project database (MP-ID: mp-1071478, 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_CeInPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39309881
_cell_length_b   5.39309954
_cell_length_c   5.39309954
_cell_angle_alpha   59.99999107
_cell_angle_beta   60.00000447
_cell_angle_gamma   60.00000447
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeInPt4
_chemical_formula_sum   'Ce1 In1 Pt4'
_cell_volume   110.91754572
_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
  Ce  Ce0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  In  In1  1  0.25000000  0.25000000  0.25000000  1.0
  Pt  Pt2  1  0.62443975  0.62443975  0.12668075  1.0
  Pt  Pt3  1  0.62443975  0.12668075  0.62443975  1.0
  Pt  Pt4  1  0.12668075  0.62443975  0.62443975  1.0
  Pt  Pt5  1  0.62443975  0.62443975  0.62443975  1.0

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