Tm4Si10(OsPt)3

High-Entropy Materials HEA

MP-ID: mp-3294718 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Tm4Si10(OsPt)3

MP-ID

mp-3294718

Elements

Sites

Density

10.6557

g/cm³

Volume

329.21

Å³

Cell a

8.0654

Cell b

8.0894

Cell c

8.0894

α Angle

137.41

β Angle

104.87

γ Angle

90.46

Space Group

Point Group

Crystal System

Monoclinic

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
15.58	5.6888	4.5	(1,1,-1)
23.86	3.7297	6.7	(0,2,-2)
23.94	3.7169	7.2	(2,0,0)
24.84	3.5851	9.7	(1,-2,1)
24.84	3.5851	9.7	(0,1,-2)
24.88	3.5794	18.8	(2,-1,0)
25.13	3.5433	35.3	(1,2,-2)
25.19	3.5351	36.2	(2,1,-1)
28.27	3.1573	19.2	(1,-2,2)
28.32	3.1514	18.8	(2,-1,1)
30.43	2.9378	35.5	(1,-1,-1)
31.45	2.8444	29.0	(2,2,-2)
32.76	2.7335	27.7	(1,0,-2)
32.78	2.7322	28.6	(2,-1,-1)
33.45	2.6788	1.4	(0,3,-2)
33.54	2.6717	1.2	(3,0,-1)
34.36	2.6103	11.8	(2,0,-2)
35.02	2.5626	79.4	(1,-3,2)
35.10	2.5564	79.9	(3,-1,0)
35.58	2.5230	30.4	(2,-2,0)
35.58	2.5230	30.4	(0,0,2)
36.12	2.4865	1.4	(0,3,-3)
36.25	2.4779	1.4	(3,0,0)
36.42	2.4668	27.8	(1,3,-3)

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Energy Properties

Formation Energy/atom

-0.92183

eV/atom

Energy/atom

-28.00387

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.0039

eV/atom

Volume/atom

16.46

Å³

c/a Ratio

1.0030

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0019

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2376

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.2894

J/mol·K

Ω Parameter

2.5359

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.349%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3448

smaller = more stable mixing

VEC

7.300

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.152

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8927

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflvy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294718

Reference Citation

The crystal structure and related material properties of Tm4Si10(OsPt)3 were obtained from the Materials Project database (MP-ID: mp-3294718, 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

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Raw CIF Data

# generated using pymatgen
data_Tm4Si10(OsPt)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06536368
_cell_length_b   8.08943650
_cell_length_c   8.08943566
_cell_angle_alpha   137.41049615
_cell_angle_beta   104.86821987
_cell_angle_gamma   90.45662959
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm4Si10(OsPt)3
_chemical_formula_sum   'Tm4 Si10 Os3 Pt3'
_cell_volume   329.20761444
_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
  Tm  Tm0  1  0.86381268  0.62952261  0.23429007  1.0
  Tm  Tm1  1  0.14069921  0.37057259  0.77012663  1.0
  Tm  Tm2  1  0.39830780  0.13083906  0.26746874  1.0
  Tm  Tm3  1  0.60102977  0.87094295  0.73008683  1.0
  Si  Si4  1  0.49556235  0.75155517  0.25069442  1.0
  Si  Si5  1  0.49556235  0.24486793  0.74400718  1.0
  Si  Si6  1  0.21973195  0.97362249  0.74525867  1.0
  Si  Si7  1  0.77642808  0.52315264  0.74542962  1.0
  Si  Si8  1  0.77642808  0.03099846  0.25327645  1.0
  Si  Si9  1  0.21973195  0.47447328  0.24610847  1.0
  Si  Si10  1  0.05502784  0.89837664  0.15665019  1.0
  Si  Si11  1  0.95245106  0.10231477  0.85013629  1.0
  Si  Si12  1  0.74528909  0.39545197  0.34983712  1.0
  Si  Si13  1  0.25419695  0.60312990  0.65106606  1.0
  Os  Os14  1  0.00000170  0.75022744  0.75184590  1.0
  Os  Os15  1  0.00000170  0.24815579  0.24977325  1.0
  Os  Os16  1  0.24575522  0.85967761  0.38607861  1.0
  Pt  Pt17  1  0.75575985  0.13999988  0.61575898  1.0
  Pt  Pt18  1  0.47561743  0.35965833  0.11595911  1.0
  Pt  Pt19  1  0.52860692  0.64246051  0.88614741  1.0

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