UInPt2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079904 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

UInPt2

MP-ID

mp-1079904

Elements

Sites

Density

14.6590

g/cm³

Volume

168.33

Å³

Cell a

4.7542

Cell b

4.7542

Cell c

8.5997

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
20.66	4.2998	27.1	(0,0,0,2)
23.96	3.7136	12.6	(1,0,-1,1)
30.05	2.9738	47.7	(1,0,-1,2)
37.85	2.3771	50.0	(1,1,-2,0)
37.85	2.3771	100.0	(2,-1,-1,0)
38.26	2.3525	99.7	(1,0,-1,3)
43.50	2.0804	25.2	(2,-1,-1,2)
45.29	2.0021	2.5	(2,0,-2,1)
47.72	1.9058	28.2	(1,0,-1,4)
49.06	1.8568	8.3	(2,0,-2,2)
49.06	1.8568	4.2	(2,-2,0,2)
54.91	1.6721	23.4	(2,0,-2,3)
54.91	1.6721	11.7	(2,-2,0,3)
60.46	1.5313	2.3	(3,-1,-2,1)
62.46	1.4869	13.0	(2,0,-2,4)
63.58	1.4633	11.8	(3,-1,-2,2)
65.08	1.4333	1.1	(0,0,0,6)
68.35	1.3724	18.1	(3,0,-3,0)
68.35	1.3724	9.0	(3,-3,0,0)
68.62	1.3677	12.0	(2,1,-3,3)
68.62	1.3677	24.0	(3,-1,-2,3)
69.44	1.3536	21.1	(1,0,-1,6)
72.26	1.3075	6.1	(3,0,-3,2)
75.40	1.2606	15.6	(3,-1,-2,4)

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Energy Properties

Formation Energy/atom

-0.41365

eV/atom

Energy/atom

-6.96187

eV/atom

Energy above Hull

0.1743

eV/atom

Uncorrected Energy

-6.9619

eV/atom

Volume/atom

21.04

Å³

c/a Ratio

1.8088

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0698

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000410

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.500

Element Family

5d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

4.8563

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.483%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3775

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.633

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.352

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.500

Related Tasks

Related computation task IDs (5)

aaadmpfz aaadsxpu aaaeakhz aaaeunly aaafxgwb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079904

Reference Citation

The crystal structure and related material properties of UInPt2 were obtained from the Materials Project database (MP-ID: mp-1079904, 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_UInPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75424170
_cell_length_b   4.75424170
_cell_length_c   8.59964700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999581
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UInPt2
_chemical_formula_sum   'U2 In2 Pt4'
_cell_volume   168.33475389
_cell_formula_units_Z   2
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
  U  U0  1  0.00000000  0.00000000  0.50000000  1.0
  U  U1  1  0.00000000  0.00000000  0.00000000  1.0
  In  In2  1  0.33333300  0.66666700  0.25000000  1.0
  In  In3  1  0.66666700  0.33333300  0.75000000  1.0
  Pt  Pt4  1  0.33333300  0.66666700  0.90554400  1.0
  Pt  Pt5  1  0.66666700  0.33333300  0.09445600  1.0
  Pt  Pt6  1  0.66666700  0.33333300  0.40554400  1.0
  Pt  Pt7  1  0.33333300  0.66666700  0.59445600  1.0

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