BaSn3Pt

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30433 · Space group: I4mm (#107)

Materials Project API

Basic Information

Formula

BaSn3Pt

MP-ID

mp-30433

Elements

Sites

Density

8.3754

g/cm³

Volume

136.51

Å³

Cell a

4.9337

Cell b

4.9337

Cell c

6.6088

α Angle

111.97

β Angle

111.97

γ Angle

89.98

Space Group

I4mm

Point Group

4mm

Crystal System

Tetragonal

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
15.80	5.6084	14.6	(0,0,1)
19.65	4.5175	15.5	(1,0,-1)
19.66	4.5147	15.6	(1,0,0)
25.53	3.4893	10.8	(1,1,-1)
25.54	3.4879	10.8	(1,-1,0)
29.97	2.9811	37.6	(1,0,-2)
30.00	2.9787	37.4	(1,0,1)
30.15	2.9643	24.7	(1,1,-2)
30.17	2.9618	49.5	(1,-1,1)
30.18	2.9611	24.9	(1,1,0)
31.91	2.8042	11.3	(0,0,2)
36.42	2.4668	100.0	(2,0,-1)
39.91	2.2588	3.1	(2,0,-2)
39.94	2.2574	3.1	(2,0,0)
41.28	2.1871	12.0	(1,1,-3)
41.31	2.1855	11.9	(1,-1,-2)
41.31	2.1855	11.9	(1,-1,2)
41.33	2.1845	11.9	(1,1,1)
41.71	2.1657	2.3	(2,1,-2)
41.72	2.1648	2.4	(2,1,-1)
41.73	2.1647	2.4	(2,-1,-1)
41.73	2.1644	1.2	(1,-2,0)
41.73	2.1644	1.2	(2,-1,0)
44.34	2.0428	13.6	(1,0,-3)

Get direct link

Energy Properties

Formation Energy/atom

-0.68118

eV/atom

Energy/atom

-4.68495

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.1545

eV/atom

Volume/atom

27.30

Å³

c/a Ratio

1.3395

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

60.919

GPa

G_VRH

26.771

GPa

Young's Modulus E

70.052

GPa

Poisson Ratio ν

0.308

Pugh Ratio K/G

2.276

Vickers Hardness Est.

2.229

GPa

Ductility

Brittle

Anisotropy

0.028

Lame λ

43.072

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.600

Element Family

PostTransition-Noble

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

1.7479

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.853%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4764

smaller = more stable mixing

VEC

4.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.119

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.699

Family

Sn-rich Multi-Component

Matrix Element

Sn · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0280

Homogeneous Poisson ν

0.3080

Debye Temperature

212.8

Sound Velocity

1,999.1

m/s

Homogeneity

0.3080

Related Tasks

Related computation task IDs (5)

aaadmqvs aaaemghd aaaeussv aaafajiw aaafsclx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30433

Reference Citation

The crystal structure and related material properties of BaSn3Pt were obtained from the Materials Project database (MP-ID: mp-30433, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_BaSn3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93364896
_cell_length_b   4.93364903
_cell_length_c   6.60881991
_cell_angle_alpha   111.97083013
_cell_angle_beta   111.97083750
_cell_angle_gamma   89.97635850
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn3Pt
_chemical_formula_sum   'Ba1 Sn3 Pt1'
_cell_volume   136.51347261
_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
  Ba  Ba0  1  0.00160499  0.00160499  0.00319497  1.0
  Sn  Sn1  1  0.75282643  0.25286142  0.50569775  1.0
  Sn  Sn2  1  0.25286142  0.75282643  0.50569775  1.0
  Sn  Sn3  1  0.41779245  0.41779245  0.83505322  1.0
  Pt  Pt4  1  0.65401571  0.65401571  0.30855530  1.0

Get direct link