Tm3Ga8SnOs3

High-Entropy Materials HEA

MP-ID: mp-3292954 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Tm3Ga8SnOs3

MP-ID

mp-3292954

Elements

Sites

Density

11.2465

g/cm³

Volume

258.98

Å³

Cell a

6.3741

Cell b

6.3741

Cell c

6.3741

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 23)

2θ	d (Å)	I	hkl
19.70	4.5072	8.6	(1,1,0)
24.18	3.6801	2.5	(1,1,1)
28.00	3.1871	21.5	(2,0,0)
31.38	2.8506	7.9	(2,1,0)
34.47	2.6022	7.9	(2,1,1)
40.01	2.2536	100.0	(2,2,0)
42.55	2.1247	4.1	(3,0,0)
44.97	2.0157	6.1	(3,1,0)
47.30	1.9219	2.0	(3,1,1)
49.54	1.8401	8.8	(2,2,2)
51.71	1.7679	2.2	(3,2,0)
53.81	1.7036	1.3	(3,2,1)
57.87	1.5935	14.2	(4,0,0)
59.82	1.5460	3.9	(4,1,0)
65.49	1.4253	15.4	(4,2,0)
69.12	1.3590	3.3	(3,3,2)
72.67	1.3011	26.3	(4,2,2)
74.42	1.2748	1.8	(4,3,0)
76.15	1.2501	1.9	(5,1,0)
81.28	1.1836	3.3	(5,2,0)
82.97	1.1638	2.2	(5,2,1)
86.34	1.1268	7.8	(4,4,0)
89.70	1.0932	2.9	(5,3,0)

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Energy Properties

Formation Energy/atom

-0.57077

eV/atom

Energy/atom

-25.94458

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.9446

eV/atom

Volume/atom

17.27

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

μB

Mag. Ordering

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

Ga · 0.533

Element Family

PostTransition-Noble

Solute Fraction

0.467

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1596

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6407

J/mol·K

Ω Parameter

8.2333

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.081%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3067

smaller = more stable mixing

VEC

6.067

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.429

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8365

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjgc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292954

Reference Citation

The crystal structure and related material properties of Tm3Ga8SnOs3 were obtained from the Materials Project database (MP-ID: mp-3292954, 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_Tm3Ga8SnOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37410823
_cell_length_b   6.37410823
_cell_length_c   6.37410823
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Ga8SnOs3
_chemical_formula_sum   'Tm3 Ga8 Sn1 Os3'
_cell_volume   258.97527308
_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  0.50000000  0.00000000  0.00000000  1.0
  Tm  Tm1  1  0.00000000  0.50000000  0.00000000  1.0
  Tm  Tm2  1  0.00000000  0.00000000  0.50000000  1.0
  Ga  Ga3  1  0.29076591  0.29076591  0.29076591  1.0
  Ga  Ga4  1  0.70923409  0.70923409  0.70923409  1.0
  Ga  Ga5  1  0.70923409  0.70923409  0.29076591  1.0
  Ga  Ga6  1  0.70923409  0.29076591  0.70923409  1.0
  Ga  Ga7  1  0.29076591  0.29076591  0.70923409  1.0
  Ga  Ga8  1  0.29076591  0.70923409  0.29076591  1.0
  Ga  Ga9  1  0.29076591  0.70923409  0.70923409  1.0
  Ga  Ga10  1  0.70923409  0.29076591  0.29076591  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os12  1  0.00000000  0.50000000  0.50000000  1.0
  Os  Os13  1  0.50000000  0.00000000  0.50000000  1.0
  Os  Os14  1  0.50000000  0.50000000  0.00000000  1.0

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