CeAl3Pt2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025102 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

CeAl3Pt2

MP-ID

mp-1025102

Elements

Sites

Density

9.2653

g/cm³

Volume

109.55

Å³

Cell a

5.4670

Cell b

5.4670

Cell c

4.2322

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6/mmm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

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 19)

2θ	d (Å)	I	hkl
18.74	4.7346	6.7	(1,0,-1,0)
20.99	4.2322	51.8	(0,0,0,1)
32.76	2.7335	66.0	(2,-1,-1,0)
39.23	2.2962	100.0	(2,-1,-1,1)
42.73	2.1161	15.8	(0,0,0,2)
43.82	2.0660	4.3	(2,0,-2,1)
51.04	1.7895	1.0	(3,-1,-2,0)
54.87	1.6733	31.1	(2,-1,-1,2)
58.48	1.5782	8.6	(3,0,-3,0)
58.48	1.5782	4.3	(3,-3,0,0)
62.84	1.4787	25.4	(3,0,-3,1)
66.25	1.4107	2.4	(0,0,0,3)
68.67	1.3668	11.7	(4,-2,-2,0)
72.70	1.3006	3.6	(2,2,-4,1)
72.70	1.3006	7.2	(4,-2,-2,1)
75.09	1.2651	12.4	(3,0,-3,2)
75.90	1.2536	14.7	(2,-1,-1,3)
84.36	1.1481	4.5	(2,2,-4,2)
84.36	1.1481	9.1	(4,-2,-2,2)

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Energy Properties

Formation Energy/atom

-0.97239

eV/atom

Energy/atom

-5.85838

eV/atom

Energy above Hull

0.0403

eV/atom

Uncorrected Energy

-5.8584

eV/atom

Volume/atom

18.26

Å³

c/a Ratio

0.7741

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.3458

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003160

μB/Å³

Elastic Properties

K_VRH

130.404

GPa

G_VRH

65.017

GPa

Young's Modulus E

167.254

GPa

Poisson Ratio ν

0.286

Pugh Ratio K/G

2.006

Vickers Hardness Est.

7.186

GPa

Ductility

Brittle

Anisotropy

0.040

Lame λ

87.059

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

0.1978

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.996%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4118

smaller = more stable mixing

VEC

5.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-56.337

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.656

Family

Al-based Alloy

Matrix Element

Al · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0400

Homogeneous Poisson ν

0.2860

Debye Temperature

333.9

Sound Velocity

2,953.8

m/s

Homogeneity

0.2860

Related Tasks

Related computation task IDs (5)

aaadcbfm aaadopmx aaadutze aaaepqyk aaafbixj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025102

Reference Citation

The crystal structure and related material properties of CeAl3Pt2 were obtained from the Materials Project database (MP-ID: mp-1025102, 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_CeAl3Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46698175
_cell_length_b   5.46698175
_cell_length_c   4.23221700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeAl3Pt2
_chemical_formula_sum   'Ce1 Al3 Pt2'
_cell_volume   109.54531790
_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
  Al  Al1  1  0.50000000  0.00000000  0.50000000  1.0
  Al  Al2  1  0.00000000  0.50000000  0.50000000  1.0
  Al  Al3  1  0.50000000  0.50000000  0.50000000  1.0
  Pt  Pt4  1  0.33333300  0.66666700  0.00000000  1.0
  Pt  Pt5  1  0.66666700  0.33333300  0.00000000  1.0

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