TbHoAl3Pt4

High-Entropy Materials HEA

MP-ID: mp-3296765 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

TbHoAl3Pt4

MP-ID

mp-3296765

Elements

Sites

Density

12.3789

g/cm³

Volume

317.96

Å³

Cell a

8.2003

Cell b

8.2003

Cell c

7.4234

α Angle

89.88

β Angle

90.12

γ Angle

140.43

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
11.47	7.7163	12.1	(1,-1,0)
16.55	5.3558	3.9	(1,-1,-1)
16.59	5.3436	5.2	(1,-1,1)
23.05	3.8582	35.2	(2,-2,0)
23.98	3.7117	2.9	(0,0,2)
26.00	3.4266	41.4	(2,-2,-1)
26.05	3.4202	37.9	(2,-2,1)
26.48	3.3658	34.9	(2,-1,-1)
26.52	3.3613	16.9	(1,-2,1)
26.52	3.3612	16.9	(2,-1,1)
26.63	3.3479	50.1	(1,-1,-2)
26.68	3.3419	50.2	(1,-1,2)
29.51	3.0267	1.1	(1,0,-2)
29.51	3.0267	1.1	(0,1,2)
29.53	3.0245	1.3	(0,1,-2)
29.53	3.0245	1.3	(1,0,2)
32.25	2.7754	17.5	(1,1,0)
33.46	2.6779	7.3	(2,-2,-2)
33.54	2.6718	7.2	(2,-2,2)
33.85	2.6482	16.1	(2,-1,-2)
33.85	2.6482	16.1	(1,-2,-2)
33.91	2.6438	15.8	(1,-2,2)
33.91	2.6438	15.8	(2,-1,2)
34.34	2.6116	22.3	(0,2,0)

Get direct link

Energy Properties

Formation Energy/atom

-1.27946

eV/atom

Energy/atom

-33.53001

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.5300

eV/atom

Volume/atom

17.66

Å³

c/a Ratio

0.9053

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

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

1.2149

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.1006

J/mol·K

Ω Parameter

0.6030

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.681%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4527

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-26.667

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8764

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfowr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296765

Reference Citation

The crystal structure and related material properties of TbHoAl3Pt4 were obtained from the Materials Project database (MP-ID: mp-3296765, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_TbHoAl3Pt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20026479
_cell_length_b   8.20027183
_cell_length_c   7.42341433
_cell_angle_alpha   89.87613204
_cell_angle_beta   90.12394656
_cell_angle_gamma   140.43492484
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbHoAl3Pt4
_chemical_formula_sum   'Tb2 Ho2 Al6 Pt8'
_cell_volume   317.95589848
_cell_formula_units_Z   2
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  0.10591805  0.89407899  0.40882983  1.0
  Tb  Tb1  1  0.89408195  0.10592101  0.59117017  1.0
  Ho  Ho2  1  0.39450208  0.60550103  0.90792198  1.0
  Ho  Ho3  1  0.60549792  0.39449897  0.09207802  1.0
  Al  Al4  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al5  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al6  1  0.01966558  0.48046420  0.24906242  1.0
  Al  Al7  1  0.48046470  0.01966612  0.75094018  1.0
  Al  Al8  1  0.98033442  0.51953580  0.75093758  1.0
  Al  Al9  1  0.51953530  0.98033388  0.24905982  1.0
  Pt  Pt10  1  0.18800578  0.31313135  0.24884939  1.0
  Pt  Pt11  1  0.31312607  0.18799925  0.75114868  1.0
  Pt  Pt12  1  0.81199422  0.68686865  0.75115061  1.0
  Pt  Pt13  1  0.68687393  0.81200075  0.24885132  1.0
  Pt  Pt14  1  0.18004566  0.81994849  0.02592551  1.0
  Pt  Pt15  1  0.81995434  0.18005151  0.97407449  1.0
  Pt  Pt16  1  0.31897172  0.68104156  0.52639509  1.0
  Pt  Pt17  1  0.68102828  0.31895844  0.47360491  1.0

Get direct link