Tb4AlZn5Pt8

High-Entropy Materials HEA

MP-ID: mp-3296654 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Tb4AlZn5Pt8

MP-ID

mp-3296654

Elements

Sites

Density

13.3326

g/cm³

Volume

317.65

Å³

Cell a

8.0831

Cell b

8.0831

Cell c

7.4964

α Angle

90.42

β Angle

89.58

γ Angle

139.57

Space Group

C2/m

Point Group

2/m

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
16.56	5.3527	2.1	(1,-1,1)
16.69	5.3110	2.4	(1,-1,-1)
23.46	3.7925	5.4	(2,-2,0)
26.25	3.3947	16.6	(2,-2,1)
26.42	3.3734	9.2	(2,-2,-1)
26.44	3.3707	11.5	(1,-1,2)
26.52	3.3608	9.3	(2,-1,1)
26.61	3.3498	10.8	(1,-1,-2)
26.65	3.3452	8.3	(2,-1,-1)
29.33	3.0451	1.0	(1,0,-2)
32.04	2.7932	3.9	(1,1,0)
33.48	2.6763	8.8	(2,-2,2)
33.72	2.6583	6.7	(2,-1,2)
33.72	2.6583	6.7	(1,-2,2)
33.75	2.6555	8.0	(2,-2,-2)
33.92	2.6430	7.2	(2,-1,-2)
34.21	2.6212	10.4	(2,0,0)
35.66	2.5175	20.0	(3,-2,1)
35.66	2.5175	20.0	(2,-3,1)
35.82	2.5066	41.0	(3,-2,-1)
36.28	2.4763	14.4	(2,0,1)
36.28	2.4763	14.4	(0,2,-1)
36.34	2.4722	30.8	(2,0,-1)
37.45	2.4014	16.9	(3,-3,1)

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Energy Properties

Formation Energy/atom

-1.05719

eV/atom

Energy/atom

-33.72900

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.7290

eV/atom

Volume/atom

17.65

Å³

c/a Ratio

0.9274

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0028

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

Pt · 0.444

Element Family

5d-TM

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2110

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0686

J/mol·K

Ω Parameter

0.9678

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.823%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4685

smaller = more stable mixing

VEC

9.944

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-15.745

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8736

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfosk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296654

Reference Citation

The crystal structure and related material properties of Tb4AlZn5Pt8 were obtained from the Materials Project database (MP-ID: mp-3296654, 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_Tb4AlZn5Pt8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08309368
_cell_length_b   8.08309304
_cell_length_c   7.49643582
_cell_angle_alpha   90.42048180
_cell_angle_beta   89.57951691
_cell_angle_gamma   139.56741669
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4AlZn5Pt8
_chemical_formula_sum   'Tb4 Al1 Zn5 Pt8'
_cell_volume   317.64507318
_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
  Tb  Tb0  1  0.10970198  0.89029802  0.40503867  1.0
  Tb  Tb1  1  0.89029802  0.10970198  0.59496133  1.0
  Tb  Tb2  1  0.38724908  0.61275092  0.91733134  1.0
  Tb  Tb3  1  0.61275092  0.38724908  0.08266866  1.0
  Al  Al4  1  0.50000000  0.50000000  0.50000000  1.0
  Zn  Zn5  1  0.00000000  0.00000000  0.00000000  1.0
  Zn  Zn6  1  0.02016836  0.47593519  0.25430486  1.0
  Zn  Zn7  1  0.47593519  0.02016836  0.74569514  1.0
  Zn  Zn8  1  0.97983164  0.52406481  0.74569514  1.0
  Zn  Zn9  1  0.52406481  0.97983164  0.25430486  1.0
  Pt  Pt10  1  0.19081544  0.30572511  0.25530723  1.0
  Pt  Pt11  1  0.30572511  0.19081544  0.74469277  1.0
  Pt  Pt12  1  0.80918456  0.69427489  0.74469277  1.0
  Pt  Pt13  1  0.69427489  0.80918456  0.25530723  1.0
  Pt  Pt14  1  0.18090876  0.81909124  0.02687382  1.0
  Pt  Pt15  1  0.81909124  0.18090876  0.97312618  1.0
  Pt  Pt16  1  0.32700248  0.67299752  0.52774527  1.0
  Pt  Pt17  1  0.67299752  0.32700248  0.47225473  1.0

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