TbSnPt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079790 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

TbSnPt

MP-ID

mp-1079790

Elements

Sites

Density

12.0546

g/cm³

Volume

195.35

Å³

Cell a

4.0248

Cell b

7.4864

Cell c

7.4864

α Angle

120.00

β Angle

90.00

γ Angle

90.00

Space Group

P-62m

Point Group

-6m2

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
23.77	3.7432	13.9	(0,1,-1,-2)
23.77	3.7432	7.0	(0,2,-2,-1)
26.06	3.4195	5.2	(1,0,-1,1)
26.06	3.4195	10.4	(1,1,-2,-1)
27.51	3.2417	2.0	(0,0,0,2)
27.52	3.2417	4.0	(0,2,-2,-2)
32.67	2.7410	81.7	(1,1,-2,-2)
32.67	2.7410	40.9	(1,2,-3,-1)
35.56	2.5247	50.0	(1,0,-1,2)
35.56	2.5246	100.0	(1,2,-3,-2)
36.67	2.4505	16.4	(0,1,-1,-3)
36.67	2.4505	16.4	(0,2,-2,-3)
36.67	2.4505	16.4	(0,3,-3,-2)
41.80	2.1612	23.8	(0,0,0,3)
41.80	2.1611	23.8	(0,3,-3,-3)
41.80	2.1611	23.8	(0,3,-3,0)
43.22	2.0931	19.6	(1,1,-2,-3)
43.22	2.0931	9.8	(1,2,-3,-3)
43.22	2.0931	9.8	(1,2,-3,1)
43.22	2.0931	19.6	(1,3,-4,-2)
45.05	2.0124	42.4	(2,0,-2,0)
47.77	1.9040	1.3	(1,3,-4,-3)
48.65	1.8716	7.8	(0,2,-2,-4)
48.65	1.8716	3.9	(0,4,-4,-2)

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Energy Properties

Formation Energy/atom

-1.08791

eV/atom

Energy/atom

-5.99410

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.0249

eV/atom

Volume/atom

21.71

Å³

c/a Ratio

1.8601

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

Tb · 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

3.3330

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.656%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4983

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.814

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

Tb-rich Multi-Component

Matrix Element

Tb · 0.333

Related Tasks

Related computation task IDs (5)

aaadncez aaadsaxp aaaemgsy aaaeucgu aaafiwak

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079790

Reference Citation

The crystal structure and related material properties of TbSnPt were obtained from the Materials Project database (MP-ID: mp-1079790, 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_TbSnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02479341
_cell_length_b   7.48639701
_cell_length_c   7.48642184
_cell_angle_alpha   119.99989710
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbSnPt
_chemical_formula_sum   'Tb3 Sn3 Pt3'
_cell_volume   195.35378250
_cell_formula_units_Z   3
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
  Tb  Tb0  1  0.50000000  0.59360233  1.00000000  1.0
  Tb  Tb1  1  0.50000000  0.40638213  0.40638951  1.0
  Tb  Tb2  1  0.50000000  0.99999162  0.59361049  1.0
  Sn  Sn3  1  -0.00000000  0.25818865  0.00000000  1.0
  Sn  Sn4  1  -0.00000000  0.74179178  0.74179762  1.0
  Sn  Sn5  1  -0.00000000  0.99999216  0.25820238  1.0
  Pt  Pt6  1  -0.00000000  0.33331822  0.66667193  1.0
  Pt  Pt7  1  -0.00000000  0.66664629  0.33332807  1.0
  Pt  Pt8  1  0.50000000  0.99998783  -0.00000000  1.0

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