TmLu(GePt2)2

High-Entropy Materials HEA

MP-ID: mp-3248723 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

TmLu(GePt2)2

MP-ID

mp-3248723

Elements

Sites

Density

15.0738

g/cm³

Volume

139.85

Å³

Cell a

5.4578

Cell b

5.4578

Cell c

7.1418

α Angle

90.00

β Angle

90.00

γ Angle

138.90

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
21.38	4.1560	3.5	(1,-1,1)
24.82	3.5879	12.0	(1,0,0)
24.94	3.5709	3.4	(0,0,2)
27.83	3.2061	10.5	(1,0,1)
30.54	2.9271	12.1	(1,-1,2)
35.12	2.5552	19.9	(2,-2,0)
35.25	2.5461	59.8	(2,-1,0)
35.25	2.5461	59.8	(1,-2,0)
35.47	2.5310	100.0	(1,0,2)
35.47	2.5310	100.0	(0,1,2)
37.38	2.4059	28.4	(2,-2,1)
37.50	2.3982	44.8	(2,-1,1)
37.50	2.3982	44.8	(1,-2,1)
41.86	2.1580	68.6	(1,-1,3)
43.55	2.0780	77.0	(2,-2,2)
43.66	2.0731	11.4	(2,-1,2)
43.66	2.0731	11.4	(1,-2,2)
45.74	1.9837	47.3	(1,0,3)
47.45	1.9159	62.7	(1,1,0)
50.61	1.8036	6.6	(3,-2,0)
50.61	1.8036	6.6	(2,-3,0)
51.16	1.7855	16.6	(0,0,4)
52.54	1.7418	2.6	(2,-2,3)
55.45	1.6570	11.5	(3,-3,1)

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Energy Properties

Formation Energy/atom

-1.12798

eV/atom

Energy/atom

-39.48995

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-39.4900

eV/atom

Volume/atom

17.48

Å³

c/a Ratio

1.3086

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

Pt · 0.500

Element Family

5d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2130

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0849

J/mol·K

Ω Parameter

4.1211

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.812%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4175

smaller = more stable mixing

VEC

7.875

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.383

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8750

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcvux

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248723

Reference Citation

The crystal structure and related material properties of TmLu(GePt2)2 were obtained from the Materials Project database (MP-ID: mp-3248723, 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…

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Raw CIF Data

# generated using pymatgen
data_TmLu(GePt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45775578
_cell_length_b   5.45775443
_cell_length_c   7.14179917
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   138.89804003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmLu(GePt2)2
_chemical_formula_sum   'Tm1 Lu1 Ge2 Pt4'
_cell_volume   139.85116813
_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  0.54680553  0.45319647  0.25000100  1.0
  Lu  Lu1  1  0.45369205  0.54630995  0.75000000  1.0
  Ge  Ge2  1  0.26465486  0.73534814  0.25000100  1.0
  Ge  Ge3  1  0.73559276  0.26441024  0.75000000  1.0
  Pt  Pt4  1  0.86460928  0.13539372  0.04970293  1.0
  Pt  Pt5  1  0.86460928  0.13539372  0.45029807  1.0
  Pt  Pt6  1  0.13502462  0.86497838  0.55073381  1.0
  Pt  Pt7  1  0.13502462  0.86497838  0.94926719  1.0

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