YSnPt2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078547 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

YSnPt2

MP-ID

mp-1078547

Elements

Sites

Density

12.2849

g/cm³

Volume

161.60

Å³

Cell a

4.5277

Cell b

4.5277

Cell c

9.1028

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

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 24)

2θ	d (Å)	I	hkl
19.50	4.5514	30.3	(0,0,0,2)
22.68	3.9211	21.9	(1,0,-1,0)
24.72	3.6012	15.5	(1,0,-1,1)
24.72	3.6012	7.8	(1,-1,0,1)
30.08	2.9707	7.2	(1,0,-1,2)
30.08	2.9707	3.6	(1,-1,0,2)
37.48	2.3997	100.0	(1,0,-1,3)
37.48	2.3997	50.0	(1,-1,0,3)
39.82	2.2638	45.0	(1,1,-2,0)
39.82	2.2638	89.9	(2,-1,-1,0)
44.71	2.0269	22.9	(2,-1,-1,2)
46.12	1.9682	12.5	(1,0,-1,4)
46.12	1.9682	6.3	(1,-1,0,4)
46.31	1.9605	2.2	(2,0,-2,0)
46.31	1.9605	1.1	(2,-2,0,0)
47.44	1.9166	3.0	(2,0,-2,1)
47.44	1.9166	1.5	(2,-2,0,1)
50.70	1.8006	1.7	(2,0,-2,2)
55.83	1.6467	47.7	(2,0,-2,3)
61.08	1.5171	4.3	(0,0,0,6)
62.53	1.4853	5.2	(2,0,-2,4)
62.53	1.4853	2.6	(2,-2,0,4)
62.69	1.4820	1.7	(3,-1,-2,0)
63.61	1.4628	1.3	(2,1,-3,1)

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Energy Properties

Formation Energy/atom

-0.98807

eV/atom

Energy/atom

-6.65330

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.1048

eV/atom

Volume/atom

20.20

Å³

c/a Ratio

2.0105

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

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

0.2868

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.004%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4330

smaller = more stable mixing

VEC

6.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-48.125

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.509

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.500

Related Tasks

Related computation task IDs (5)

aaadmniv aaadsumw aaaemtla aaaeuksa aaafiifa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078547

Reference Citation

The crystal structure and related material properties of YSnPt2 were obtained from the Materials Project database (MP-ID: mp-1078547, 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_YSnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52766581
_cell_length_b   4.52766581
_cell_length_c   9.10278163
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999024
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSnPt2
_chemical_formula_sum   'Y2 Sn2 Pt4'
_cell_volume   161.60452862
_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
  Y  Y0  1  0.33333300  0.66666700  0.25000000  1.0
  Y  Y1  1  0.66666700  0.33333300  0.75000000  1.0
  Sn  Sn2  1  0.00000000  -0.00000000  0.50000000  1.0
  Sn  Sn3  1  0.00000000  -0.00000000  -0.00000000  1.0
  Pt  Pt4  1  0.33333300  0.66666700  0.91178199  1.0
  Pt  Pt5  1  0.66666700  0.33333300  0.08821801  1.0
  Pt  Pt6  1  0.66666700  0.33333300  0.41178199  1.0
  Pt  Pt7  1  0.33333300  0.66666700  0.58821801  1.0

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