TbTm3(Al3Pt4)2

High-Entropy Materials HEA

MP-ID: mp-3296026 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

TbTm3(Al3Pt4)2

MP-ID

mp-3296026

Elements

Sites

Density

12.6163

g/cm³

Volume

314.34

Å³

Cell a

8.0500

Cell b

8.0500

Cell c

7.5199

α Angle

90.12

β Angle

89.88

γ Angle

139.83

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
11.71	7.5604	6.6	(1,-1,0)
16.61	5.3374	1.2	(1,-1,1)
16.65	5.3258	1.7	(1,-1,-1)
23.53	3.7802	12.9	(2,-2,0)
23.66	3.7600	1.6	(0,0,2)
26.37	3.3804	19.3	(2,-2,1)
26.41	3.3745	18.0	(2,-2,-1)
26.45	3.3695	26.8	(1,-1,2)
26.50	3.3637	26.7	(1,-1,-2)
26.69	3.3399	16.0	(2,-1,1)
26.73	3.3357	7.8	(2,-1,-1)
26.73	3.3357	7.8	(1,-2,-1)
29.32	3.0465	1.1	(1,0,2)
32.38	2.7645	9.2	(1,1,0)
33.58	2.6687	3.9	(2,-2,2)
33.66	2.6629	3.8	(2,-2,-2)
33.85	2.6483	17.6	(2,-1,2)
33.90	2.6441	17.3	(2,-1,-2)
34.55	2.5964	23.1	(2,0,0)
35.63	2.5201	2.1	(3,-3,0)
35.87	2.5035	58.6	(3,-2,1)
35.91	2.5005	58.4	(3,-2,-1)
36.61	2.4548	36.1	(2,0,1)
36.62	2.4537	17.9	(2,0,-1)

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Energy Properties

Formation Energy/atom

-1.29003

eV/atom

Energy/atom

-34.00581

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.0058

eV/atom

Volume/atom

17.46

Å³

c/a Ratio

0.9342

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0020

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

1.1858

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.8589

J/mol·K

Ω Parameter

0.5959

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.681%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4378

smaller = more stable mixing

VEC

8.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-26.667

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8554

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnug

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296026

Reference Citation

The crystal structure and related material properties of TbTm3(Al3Pt4)2 were obtained from the Materials Project database (MP-ID: mp-3296026, 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_TbTm3(Al3Pt4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04996170
_cell_length_b   8.04996114
_cell_length_c   7.51991731
_cell_angle_alpha   90.11698832
_cell_angle_beta   89.88301331
_cell_angle_gamma   139.82933082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbTm3(Al3Pt4)2
_chemical_formula_sum   'Tb1 Tm3 Al6 Pt8'
_cell_volume   314.34328914
_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  0.60530553  0.39469447  0.09139608  1.0
  Tm  Tm1  1  0.10518354  0.89481646  0.40841378  1.0
  Tm  Tm2  1  0.89490909  0.10509091  0.59227664  1.0
  Tm  Tm3  1  0.39403896  0.60596104  0.90889428  1.0
  Al  Al4  1  0.99842231  0.00157769  0.99754425  1.0
  Al  Al5  1  0.49920274  0.50079726  0.49975078  1.0
  Al  Al6  1  0.02133976  0.47873909  0.25148072  1.0
  Al  Al7  1  0.47936127  0.02041152  0.75012198  1.0
  Al  Al8  1  0.97958848  0.52063873  0.75012198  1.0
  Al  Al9  1  0.52126091  0.97866024  0.25148072  1.0
  Pt  Pt10  1  0.18885790  0.30984829  0.25019755  1.0
  Pt  Pt11  1  0.30958841  0.18955567  0.74750300  1.0
  Pt  Pt12  1  0.81044433  0.69041159  0.74750300  1.0
  Pt  Pt13  1  0.69015171  0.81114210  0.25019755  1.0
  Pt  Pt14  1  0.18366839  0.81633161  0.02797944  1.0
  Pt  Pt15  1  0.81799229  0.18200771  0.97261344  1.0
  Pt  Pt16  1  0.31823318  0.68176682  0.52848140  1.0
  Pt  Pt17  1  0.68245222  0.31754778  0.47404239  1.0

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