Tm4Ga20Tc5Pt

High-Entropy Materials HEA

MP-ID: mp-3296919 · Space group: P4/m (#83)

Materials Project API

Basic Information

Formula

Tm4Ga20Tc5Pt

MP-ID

mp-3296919

Elements

Sites

Density

9.1549

g/cm³

Volume

499.76

Å³

Cell a

8.9470

Cell b

8.9470

Cell c

6.2432

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/m

Point Group

4/m

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
9.89	8.9470	2.5	(1,0,0)
14.00	6.3265	2.4	(1,1,0)
14.19	6.2432	3.4	(0,0,1)
17.32	5.1199	1.6	(1,0,1)
19.85	4.4735	4.2	(2,0,0)
19.98	4.4438	13.2	(1,1,1)
22.22	4.0012	38.5	(2,1,0)
26.46	3.3687	16.7	(2,1,1)
28.21	3.1633	4.4	(2,2,0)
31.71	2.8217	22.9	(2,2,1)
31.97	2.7994	1.1	(1,1,2)
34.81	2.5770	31.7	(3,1,1)
35.05	2.5600	20.0	(2,0,2)
36.20	2.4815	6.1	(3,2,0)
36.51	2.4612	95.3	(2,1,2)
39.06	2.3060	4.5	(3,2,1)
40.32	2.2368	9.9	(4,0,0)
40.60	2.2219	44.3	(2,2,2)
41.62	2.1700	100.0	(4,1,0)
42.89	2.1088	28.1	(3,3,0)
43.15	2.0964	98.8	(3,1,2)
43.49	2.0811	18.9	(0,0,3)
45.33	2.0006	20.3	(4,2,0)
45.39	1.9979	1.3	(3,3,1)

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Energy Properties

Formation Energy/atom

-0.53175

eV/atom

Energy/atom

-18.88678

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.8868

eV/atom

Volume/atom

16.66

Å³

c/a Ratio

0.6978

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0012

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 · 0.667

Element Family

PostTransition-Noble

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9510

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9063

J/mol·K

Ω Parameter

3.7709

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.656%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2204

smaller = more stable mixing

VEC

4.900

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.923

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6860

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfpcp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296919

Reference Citation

The crystal structure and related material properties of Tm4Ga20Tc5Pt were obtained from the Materials Project database (MP-ID: mp-3296919, 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_Tm4Ga20Tc5Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94702016
_cell_length_b   8.94702016
_cell_length_c   6.24315016
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm4Ga20Tc5Pt
_chemical_formula_sum   'Tm4 Ga20 Tc5 Pt1'
_cell_volume   499.75898691
_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  0.18612583  0.32034034  0.00000000  1.0
  Tm  Tm1  1  0.67965966  0.18612583  0.00000000  1.0
  Tm  Tm2  1  0.81387417  0.67965966  0.00000000  1.0
  Tm  Tm3  1  0.32034034  0.81387417  0.00000000  1.0
  Ga  Ga4  1  0.50000000  0.00000000  0.28369062  1.0
  Ga  Ga5  1  0.50000000  0.00000000  0.71630938  1.0
  Ga  Ga6  1  0.29488536  0.55915626  0.70701349  1.0
  Ga  Ga7  1  0.00000000  0.50000000  0.28369062  1.0
  Ga  Ga8  1  0.00000000  0.50000000  0.71630938  1.0
  Ga  Ga9  1  0.06171219  0.79010214  0.70683297  1.0
  Ga  Ga10  1  0.20989786  0.06171219  0.29316703  1.0
  Ga  Ga11  1  0.06171219  0.79010214  0.29316703  1.0
  Ga  Ga12  1  0.70511464  0.44084374  0.70701349  1.0
  Ga  Ga13  1  0.20989786  0.06171219  0.70683297  1.0
  Ga  Ga14  1  0.93828781  0.20989786  0.70683297  1.0
  Ga  Ga15  1  0.70511464  0.44084374  0.29298651  1.0
  Ga  Ga16  1  0.55915626  0.70511464  0.29298651  1.0
  Ga  Ga17  1  0.93828781  0.20989786  0.29316703  1.0
  Ga  Ga18  1  0.55915626  0.70511464  0.70701349  1.0
  Ga  Ga19  1  0.79010214  0.93828781  0.29316703  1.0
  Ga  Ga20  1  0.44084374  0.29488536  0.70701349  1.0
  Ga  Ga21  1  0.79010214  0.93828781  0.70683297  1.0
  Ga  Ga22  1  0.44084374  0.29488536  0.29298651  1.0
  Ga  Ga23  1  0.29488536  0.55915626  0.29298651  1.0
  Tc  Tc24  1  0.17590718  0.31902316  0.50000000  1.0
  Tc  Tc25  1  0.31902316  0.82409282  0.50000000  1.0
  Tc  Tc26  1  0.82409282  0.68097684  0.50000000  1.0
  Tc  Tc27  1  0.68097684  0.17590718  0.50000000  1.0
  Tc  Tc28  1  0.50000000  0.50000000  0.00000000  1.0
  Pt  Pt29  1  0.00000000  0.00000000  0.00000000  1.0

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