TmLu2In3Pt2

High-Entropy Materials HEA

MP-ID: mp-3248721 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

TmLu2In3Pt2

MP-ID

mp-3248721

Elements

Sites

Density

11.7643

g/cm³

Volume

176.93

Å³

Cell a

7.5578

Cell b

7.5553

Cell c

3.5783

α Angle

90.00

β Angle

90.00

γ Angle

120.01

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
13.53	6.5445	26.0	(1,0,-1,0)
13.53	6.5423	16.3	(0,1,-1,0)
23.54	3.7789	2.0	(2,-1,-1,0)
23.55	3.7776	4.6	(1,1,-2,0)
24.88	3.5783	5.5	(0,0,0,1)
28.43	3.1397	2.3	(1,0,-1,1)
28.43	3.1394	1.1	(0,1,-1,1)
34.52	2.5983	51.0	(2,-1,-1,1)
34.53	2.5979	100.0	(1,1,-2,1)
36.32	2.4738	33.2	(3,-1,-2,0)
36.32	2.4732	33.1	(2,1,-3,0)
36.33	2.4729	35.2	(1,2,-3,0)
37.24	2.4148	71.2	(2,0,-2,1)
37.24	2.4144	33.1	(0,2,-2,1)
41.39	2.1815	19.1	(3,0,-3,0)
41.40	2.1808	9.4	(0,3,-3,0)
44.53	2.0349	6.3	(3,-1,-2,1)
44.53	2.0346	5.7	(2,1,-3,1)
44.54	2.0344	7.6	(1,2,-3,1)
48.16	1.8894	4.0	(4,-2,-2,0)
48.18	1.8888	7.5	(2,2,-4,0)
48.90	1.8627	5.7	(3,0,-3,1)
48.91	1.8622	3.0	(0,3,-3,1)
50.26	1.8153	8.6	(4,-1,-3,0)

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Energy Properties

Formation Energy/atom

-1.02629

eV/atom

Energy/atom

-36.27529

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-36.2753

eV/atom

Volume/atom

22.12

Å³

c/a Ratio

0.4735

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

In · 0.375

Element Family

PostTransition-Noble

Solute Fraction

0.625

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3209

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.9819

J/mol·K

Ω Parameter

7.6736

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.762%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3974

smaller = more stable mixing

VEC

5.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.975

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9528

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcvuv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248721

Reference Citation

The crystal structure and related material properties of TmLu2In3Pt2 were obtained from the Materials Project database (MP-ID: mp-3248721, 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_TmLu2In3Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55777174
_cell_length_b   7.55526819
_cell_length_c   3.57830299
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.01096205
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmLu2In3Pt2
_chemical_formula_sum   'Tm1 Lu2 In3 Pt2'
_cell_volume   176.93078990
_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  0.57912790  0.00000000  0.50000000  1.0
  Lu  Lu1  1  0.42117760  0.42094863  0.50000000  1.0
  Lu  Lu2  1  0.00022896  0.57905137  0.50000000  1.0
  In  In3  1  0.23186117  0.00000000  0.00000000  1.0
  In  In4  1  0.00046414  0.23232239  0.00000000  1.0
  In  In5  1  0.76814275  0.76767861  0.00000000  1.0
  Pt  Pt6  1  0.66785624  0.33671601  0.00000000  1.0
  Pt  Pt7  1  0.33114123  0.66328399  0.00000000  1.0

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