YbAsPt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1101973 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

YbAsPt

MP-ID

mp-1101973

Elements

Sites

Density

12.6448

g/cm³

Volume

232.73

Å³

Cell a

4.2314

Cell b

4.2314

Cell c

15.0086

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

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 24)

2θ	d (Å)	I	hkl
23.71	3.7522	3.5	(0,0,0,4)
24.29	3.6645	1.7	(1,0,-1,0)
25.01	3.5599	16.4	(1,0,-1,1)
30.23	2.9563	1.4	(1,0,-1,3)
34.20	2.6216	100.0	(1,0,-1,4)
38.78	2.3221	12.3	(1,0,-1,5)
42.74	2.1157	39.1	(2,-1,-1,0)
42.74	2.1157	19.6	(1,1,-2,0)
48.53	1.8761	10.8	(0,0,0,8)
49.46	1.8429	2.9	(2,-1,-1,4)
50.16	1.8188	2.6	(2,0,-2,1)
54.99	1.6700	1.1	(1,0,-1,8)
55.84	1.6464	8.3	(2,-2,0,4)
55.84	1.6464	16.6	(2,0,-2,4)
59.07	1.5639	3.7	(2,0,-2,5)
61.05	1.5179	5.0	(1,0,-1,9)
66.63	1.4037	25.1	(2,-1,-1,8)
67.97	1.3792	1.5	(3,-1,-2,1)
72.78	1.2994	7.6	(3,-2,-1,4)
72.78	1.2994	15.1	(3,-1,-2,4)
75.61	1.2576	3.6	(3,-1,-2,5)
77.38	1.2333	2.6	(2,0,-2,9)
78.27	1.2215	3.4	(3,-3,0,0)
78.27	1.2215	6.7	(3,0,-3,0)

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Energy Properties

Formation Energy/atom

-1.34193

eV/atom

Energy/atom

-35.58347

eV/atom

Energy above Hull

0.0365

eV/atom

Uncorrected Energy

-35.5835

eV/atom

Volume/atom

19.39

Å³

c/a Ratio

3.5470

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

Yb · 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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.243%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5342

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.365

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.333

Related Tasks

Related computation task IDs (5)

aaadmxgz aaadsvru aaaetxdq aaafieiz aaahbafr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1101973

Reference Citation

The crystal structure and related material properties of YbAsPt were obtained from the Materials Project database (MP-ID: mp-1101973, 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_YbAsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23142370
_cell_length_b   4.23142370
_cell_length_c   15.00862352
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000378
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbAsPt
_chemical_formula_sum   'Yb4 As4 Pt4'
_cell_volume   232.72578645
_cell_formula_units_Z   4
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
  Yb  Yb0  1  0.00000000  0.00000000  0.50000000  1.0
  Yb  Yb1  1  0.00000000  0.00000000  0.00000000  1.0
  Yb  Yb2  1  0.00000000  0.00000000  0.75000000  1.0
  Yb  Yb3  1  0.00000000  0.00000000  0.25000000  1.0
  As  As4  1  0.33333300  0.66666700  0.11457369  1.0
  As  As5  1  0.66666700  0.33333300  0.88542631  1.0
  As  As6  1  0.66666700  0.33333300  0.61457369  1.0
  As  As7  1  0.33333300  0.66666700  0.38542631  1.0
  Pt  Pt8  1  0.33333300  0.66666700  0.63774753  1.0
  Pt  Pt9  1  0.66666700  0.33333300  0.36225247  1.0
  Pt  Pt10  1  0.66666700  0.33333300  0.13774753  1.0
  Pt  Pt11  1  0.33333300  0.66666700  0.86225247  1.0

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