HoEr(GePt2)2

High-Entropy Materials HEA

MP-ID: mp-3247839 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

HoEr(GePt2)2

MP-ID

mp-3247839

Elements

Sites

Density

14.6975

g/cm³

Volume

142.11

Å³

Cell a

5.4694

Cell b

5.4694

Cell c

7.1553

α Angle

90.00

β Angle

90.00

γ Angle

138.40

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
21.36	4.1601	3.8	(1,-1,1)
24.52	3.6312	13.9	(1,0,0)
24.89	3.5777	4.1	(0,0,2)
27.55	3.2381	11.7	(1,0,1)
30.50	2.9313	11.6	(1,-1,2)
35.02	2.5620	59.7	(2,-1,0)
35.02	2.5620	59.7	(1,-2,0)
35.10	2.5565	22.5	(2,-2,0)
35.22	2.5485	100.0	(1,0,2)
35.22	2.5485	100.0	(0,1,2)
37.28	2.4121	45.9	(2,-1,1)
37.28	2.4121	45.9	(1,-2,1)
37.35	2.4075	30.4	(2,-2,1)
41.79	2.1615	70.5	(1,-1,3)
43.44	2.0830	14.2	(2,-1,2)
43.44	2.0830	14.2	(1,-2,2)
43.51	2.0800	73.2	(2,-2,2)
45.50	1.9935	49.8	(1,0,3)
46.77	1.9422	65.6	(1,1,0)
50.43	1.8097	5.5	(3,-2,0)
50.43	1.8097	5.5	(2,-3,0)
51.06	1.7888	16.3	(0,0,4)
52.47	1.7440	2.3	(2,-2,3)
53.70	1.7069	1.2	(1,1,2)

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Energy Properties

Formation Energy/atom

-1.12359

eV/atom

Energy/atom

-38.68629

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.6863

eV/atom

Volume/atom

17.76

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

4.0616

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.812%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4280

smaller = more stable mixing

VEC

8.875

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)

aaahcumx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247839

Reference Citation

The crystal structure and related material properties of HoEr(GePt2)2 were obtained from the Materials Project database (MP-ID: mp-3247839, 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_HoEr(GePt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46943608
_cell_length_b   5.46943442
_cell_length_c   7.15532427
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   138.40187292
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoEr(GePt2)2
_chemical_formula_sum   'Ho1 Er1 Ge2 Pt4'
_cell_volume   142.10786533
_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  0.04936394  0.95063406  0.75000000  1.0
  Er  Er1  1  0.95093862  0.04905938  0.25000000  1.0
  Ge  Ge2  1  0.23362062  0.76637738  0.25000000  1.0
  Ge  Ge3  1  0.76648047  0.23351753  0.75000000  1.0
  Pt  Pt4  1  0.63617668  0.36382132  0.05085634  1.0
  Pt  Pt5  1  0.63617668  0.36382132  0.44914366  1.0
  Pt  Pt6  1  0.36361799  0.63638001  0.55009644  1.0
  Pt  Pt7  1  0.36361799  0.63638001  0.94990256  1.0

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