LaYb2(AlPt)4

High-Entropy Materials HEA

MP-ID: mp-3252081 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

LaYb2(AlPt)4

MP-ID

mp-3252081

Elements

Sites

Density

10.7943

g/cm³

Volume

211.25

Å³

Cell a

8.1334

Cell b

8.1334

Cell c

8.1334

α Angle

150.57

β Angle

126.28

γ Angle

62.44

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
12.73	6.9555	7.5	(1,1,-1)
13.63	6.4985	17.7	(1,0,0)
24.22	3.6749	23.1	(1,-1,1)
24.72	3.6021	13.6	(0,0,1)
25.61	3.4777	21.3	(2,2,-2)
27.45	3.2492	32.7	(2,0,0)
27.89	3.1986	1.4	(1,1,0)
27.89	3.1986	2.7	(0,2,-1)
27.89	3.1986	1.4	(2,0,-1)
28.94	3.0851	19.6	(1,2,-1)
28.94	3.0851	19.6	(2,1,-2)
33.26	2.6941	33.3	(1,0,1)
33.26	2.6941	100.0	(2,-1,0)
34.47	2.6020	19.2	(3,2,-2)
34.47	2.6020	19.2	(2,3,-3)
35.54	2.5259	1.8	(3,1,-1)
35.54	2.5259	1.8	(1,3,-3)
35.89	2.5020	63.7	(2,2,-1)
35.89	2.5020	31.8	(2,2,-3)
35.89	2.5020	31.8	(3,1,-2)
37.27	2.4128	3.0	(2,-1,1)
38.84	2.3185	2.9	(3,3,-3)
39.03	2.3079	3.9	(2,3,-2)
39.03	2.3079	3.9	(3,2,-3)

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Energy Properties

Formation Energy/atom

-1.24991

eV/atom

Energy/atom

-31.76653

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.7665

eV/atom

Volume/atom

19.20

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

Al · 0.364

Element Family

PostTransition-Noble

Solute Fraction

0.636

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2637

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.5060

J/mol·K

Ω Parameter

0.3978

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.391%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4725

smaller = more stable mixing

VEC

7.545

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-36.694

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9115

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdaub

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252081

Reference Citation

The crystal structure and related material properties of LaYb2(AlPt)4 were obtained from the Materials Project database (MP-ID: mp-3252081, 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_LaYb2(AlPt)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13339412
_cell_length_b   8.13339513
_cell_length_c   8.13339389
_cell_angle_alpha   150.56609085
_cell_angle_beta   126.27868071
_cell_angle_gamma   62.44262980
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYb2(AlPt)4
_chemical_formula_sum   'La1 Yb2 Al4 Pt4'
_cell_volume   211.25429870
_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
  La  La0  1  0.50000000  0.00000000  0.50000000  1.0
  Yb  Yb1  1  0.88447454  0.88447454  1.00000000  1.0
  Yb  Yb2  1  0.11552546  0.11552546  0.00000000  1.0
  Al  Al3  1  0.48321269  0.68087955  0.80233314  1.0
  Al  Al4  1  0.87854542  0.68087955  0.19766686  1.0
  Al  Al5  1  0.12145458  0.31912045  0.80233314  1.0
  Al  Al6  1  0.51678731  0.31912045  0.19766686  1.0
  Pt  Pt7  1  0.27729314  0.77729314  0.50000000  1.0
  Pt  Pt8  1  0.72270686  0.22270686  0.50000000  1.0
  Pt  Pt9  1  0.79627532  0.50000000  0.29627532  1.0
  Pt  Pt10  1  0.20372468  0.50000000  0.70372468  1.0

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