LaBiPt

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1018136 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

LaBiPt

MP-ID

mp-1018136

Elements

Sites

Density

10.8061

g/cm³

Volume

83.44

Å³

Cell a

4.9048

Cell b

4.9048

Cell c

4.9048

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 14)

2θ	d (Å)	I	hkl
22.20	4.0048	34.0	(1,1,1)
25.69	3.4682	10.1	(1,1,0)
36.64	2.4524	100.0	(2,1,1)
43.26	2.0914	18.5	(2,2,1)
45.29	2.0024	3.0	(2,2,2)
52.79	1.7341	17.8	(2,2,0)
57.95	1.5913	8.0	(3,2,2)
59.61	1.5510	4.0	(3,2,1)
65.98	1.4159	36.8	(3,3,2)
70.55	1.3349	6.0	(3,3,3)
77.91	1.2262	11.6	(4,2,2)
82.22	1.1725	6.1	(4,3,2)
83.65	1.1561	2.0	(4,3,3)
89.32	1.0968	17.3	(3,2,-1)

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Energy Properties

Formation Energy/atom

-1.17991

eV/atom

Energy/atom

-47.75817

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-47.7582

eV/atom

Volume/atom

27.81

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

78.997

GPa

G_VRH

33.230

GPa

Young's Modulus E

87.431

GPa

Poisson Ratio ν

0.316

Pugh Ratio K/G

2.377

Vickers Hardness Est.

2.638

GPa

Ductility

Brittle

Anisotropy

0.200

Lame λ

56.844

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

La · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

0.2968

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.028%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5062

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-38.764

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

La-rich Multi-Component

Matrix Element

La · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2000

Homogeneous Poisson ν

0.3160

Debye Temperature

192.8

Sound Velocity

1,962.6

m/s

Homogeneity

0.3160

Related Tasks

Related computation task IDs (5)

aaacikyq aaadwkwx aaaegpob aaaesaaz aaafcmub

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018136

Reference Citation

The crystal structure and related material properties of LaBiPt were obtained from the Materials Project database (MP-ID: mp-1018136, 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_LaBiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90482372
_cell_length_b   4.90482372
_cell_length_c   4.90482372
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBiPt
_chemical_formula_sum   'La1 Bi1 Pt1'
_cell_volume   83.43633348
_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  0.25000000  0.25000000  0.25000000  1.0
  Bi  Bi1  1  0.75000000  0.75000000  0.75000000  1.0
  Pt  Pt2  1  0.00000000  -0.00000000  0.00000000  1.0

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