TmSnPt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1080806 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

TmSnPt

MP-ID

mp-1080806

Elements

Sites

Density

12.7148

g/cm³

Volume

189.13

Å³

Cell a

7.4247

Cell b

7.4247

Cell c

3.9616

α Angle

90.00

β Angle

90.00

γ Angle

120.00

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
23.97	3.7124	12.7	(2,-1,-1,0)
26.43	3.3729	9.9	(1,0,-1,1)
27.75	3.2150	4.6	(2,0,-2,0)
33.07	2.7089	29.2	(1,1,-2,1)
33.07	2.7089	58.4	(2,-1,-1,1)
35.98	2.4964	100.0	(2,0,-2,1)
36.99	2.4303	33.0	(3,-1,-2,0)
42.16	2.1433	50.4	(3,0,-3,0)
43.70	2.0716	37.5	(3,-1,-2,1)
45.81	1.9808	28.3	(0,0,0,2)
49.08	1.8562	7.3	(4,-2,-2,0)
51.23	1.7834	9.9	(4,-1,-3,0)
52.35	1.7476	3.1	(2,-1,-1,2)
54.40	1.6864	1.4	(2,0,-2,2)
54.60	1.6808	3.6	(4,-2,-2,1)
56.60	1.6262	10.2	(4,-1,-3,1)
57.32	1.6075	1.1	(4,0,-4,0)
60.28	1.5354	16.4	(3,-1,-2,2)
63.01	1.4751	2.3	(5,-2,-3,0)
64.00	1.4547	29.8	(3,0,-3,2)
66.66	1.4031	5.6	(5,-1,-4,0)
66.66	1.4031	2.8	(5,-4,-1,0)
67.79	1.3824	35.5	(5,-2,-3,1)
69.39	1.3544	5.2	(4,-2,-2,2)

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Energy Properties

Formation Energy/atom

-1.08190

eV/atom

Energy/atom

-5.93630

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.3127

eV/atom

Volume/atom

21.01

Å³

c/a Ratio

0.5336

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

Tm · 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

3.4839

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.656%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4304

smaller = more stable mixing

VEC

9.000

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

Tm-rich Multi-Component

Matrix Element

Tm · 0.333

Related Tasks

Related computation task IDs (5)

aaadndbo aaadsmao aaaemblq aaaeubmd aaafcsab

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1080806

Reference Citation

The crystal structure and related material properties of TmSnPt were obtained from the Materials Project database (MP-ID: mp-1080806, 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_TmSnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42471250
_cell_length_b   7.42471250
_cell_length_c   3.96164208
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmSnPt
_chemical_formula_sum   'Tm3 Sn3 Pt3'
_cell_volume   189.13206626
_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
  Tm  Tm0  1  -0.00000000  0.40457809  -0.00000000  1.0
  Tm  Tm1  1  0.59542191  0.59542191  0.00000000  1.0
  Tm  Tm2  1  0.40457809  -0.00000000  0.00000000  1.0
  Sn  Sn3  1  -0.00000000  0.73939955  0.50000000  1.0
  Sn  Sn4  1  0.26060045  0.26060045  0.50000000  1.0
  Sn  Sn5  1  0.73939955  -0.00000000  0.50000000  1.0
  Pt  Pt6  1  0.33333300  0.66666700  0.50000000  1.0
  Pt  Pt7  1  0.66666700  0.33333300  0.50000000  1.0
  Pt  Pt8  1  0.00000000  0.00000000  -0.00000000  1.0

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