HoTm(GePt2)2

High-Entropy Materials HEA

MP-ID: mp-3249540 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

HoTm(GePt2)2

MP-ID

mp-3249540

Elements

Sites

Density

14.7737

g/cm³

Volume

141.56

Å³

Cell a

5.4657

Cell b

5.4657

Cell c

7.1501

α Angle

90.00

β Angle

90.00

γ Angle

138.49

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
21.37	4.1579	3.7	(1,-1,1)
24.58	3.6224	6.8	(1,0,0)
24.58	3.6224	6.8	(0,1,0)
24.91	3.5751	4.0	(0,0,2)
27.60	3.2314	5.8	(1,0,1)
27.60	3.2314	5.8	(0,1,1)
30.51	2.9295	11.5	(1,-1,2)
35.07	2.5584	59.3	(2,-1,0)
35.07	2.5584	59.3	(1,-2,0)
35.12	2.5555	22.2	(2,-2,0)
35.27	2.5445	100.0	(1,0,2)
35.27	2.5445	100.0	(0,1,2)
37.33	2.4089	45.8	(2,-1,1)
37.33	2.4089	45.8	(1,-2,1)
37.37	2.4064	30.1	(2,-2,1)
41.82	2.1601	70.1	(1,-1,3)
43.50	2.0806	13.7	(2,-1,2)
43.50	2.0806	13.7	(1,-2,2)
43.53	2.0790	73.5	(2,-2,2)
45.56	1.9911	49.1	(1,0,3)
46.91	1.9369	65.0	(1,1,0)
50.48	1.8080	5.7	(3,-2,0)
50.48	1.8080	5.7	(2,-3,0)
51.10	1.7875	16.4	(0,0,4)

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Energy Properties

Formation Energy/atom

-1.12580

eV/atom

Energy/atom

-38.83796

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.8380

eV/atom

Volume/atom

17.70

Å³

c/a Ratio

1.3082

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

4.0662

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.812%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4259

smaller = more stable mixing

VEC

9.000

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)

aaahcxai

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249540

Reference Citation

The crystal structure and related material properties of HoTm(GePt2)2 were obtained from the Materials Project database (MP-ID: mp-3249540, 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_HoTm(GePt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46566572
_cell_length_b   5.46566426
_cell_length_c   7.15013370
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   138.48981738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTm(GePt2)2
_chemical_formula_sum   'Ho1 Tm1 Ge2 Pt4'
_cell_volume   141.56372324
_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
  Ho  Ho0  1  0.04919046  0.95080754  0.75000000  1.0
  Tm  Tm1  1  0.95136755  0.04863045  0.25000000  1.0
  Ge  Ge2  1  0.23388454  0.76611346  0.25000000  1.0
  Ge  Ge3  1  0.76633614  0.23366186  0.75000000  1.0
  Pt  Pt4  1  0.63579267  0.36420533  0.05109340  1.0
  Pt  Pt5  1  0.63579267  0.36420533  0.44890660  1.0
  Pt  Pt6  1  0.36381399  0.63618401  0.54972667  1.0
  Pt  Pt7  1  0.36381399  0.63618401  0.95027233  1.0

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