Ho2PaCo2Ge7

High-Entropy Materials HEA

MP-ID: mp-3246607 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Ho2PaCo2Ge7

MP-ID

mp-3246607

Elements

Sites

Density

9.1928

g/cm³

Volume

214.46

Å³

Cell a

12.5836

Cell b

12.5836

Cell c

4.1640

α Angle

90.00

β Angle

90.00

γ Angle

161.02

Space Group

Cmmm

Point Group

mmm

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
7.12	12.4114	10.3	(1,-1,0)
14.27	6.2057	2.3	(2,-2,0)
21.34	4.1640	2.2	(0,0,1)
21.48	4.1371	9.3	(3,-3,0)
21.71	4.0929	7.4	(1,0,0)
22.52	3.9477	18.6	(1,-1,1)
23.99	3.7093	12.8	(2,-1,0)
23.99	3.7093	12.8	(1,-2,0)
25.77	3.4577	7.0	(2,-2,1)
30.46	2.9348	4.5	(3,-3,1)
30.63	2.9189	29.9	(1,0,1)
32.32	2.7697	3.5	(2,-1,1)
32.32	2.7697	3.5	(1,-2,1)
33.23	2.6959	2.3	(4,-3,0)
33.23	2.6959	2.3	(3,-4,0)
35.49	2.5293	100.0	(3,-2,1)
35.49	2.5293	100.0	(2,-3,1)
36.10	2.4880	41.7	(4,-4,1)
36.19	2.4823	30.5	(5,-5,0)
39.22	2.2970	13.9	(5,-4,0)
39.22	2.2970	13.9	(4,-5,0)
39.83	2.2630	13.5	(4,-3,1)
39.83	2.2630	13.5	(3,-4,1)
43.47	2.0820	49.3	(0,0,2)

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Energy Properties

Formation Energy/atom

-0.61578

eV/atom

Energy/atom

-22.79836

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.7984

eV/atom

Volume/atom

17.87

Å³

c/a Ratio

0.3309

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

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

Ge · 0.583

Element Family

PostTransition-Noble

Solute Fraction

0.417

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1187

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3012

J/mol·K

Ω Parameter

9.9883

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.244%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2970

smaller = more stable mixing

VEC

6.182

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.344

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8070

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcsrn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3246607

Reference Citation

The crystal structure and related material properties of Ho2PaCo2Ge7 were obtained from the Materials Project database (MP-ID: mp-3246607, 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_Ho2PaCo2Ge7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.58363859
_cell_length_b   12.58363707
_cell_length_c   4.16395927
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   161.01902152
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2PaCo2Ge7
_chemical_formula_sum   'Ho2 Pa1 Co2 Ge7'
_cell_volume   214.45780380
_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  0.81594766  0.18405434  0.50000000  1.0
  Ho  Ho1  1  0.18405434  0.81594766  0.50000000  1.0
  Pa  Pa2  1  0.50000100  0.50000100  0.00000000  1.0
  Co  Co3  1  0.62790908  0.37209192  0.00000000  1.0
  Co  Co4  1  0.37209192  0.62790908  0.00000000  1.0
  Ge  Ge5  1  0.91113894  0.08886306  0.00000000  1.0
  Ge  Ge6  1  0.71989840  0.28010360  0.00000000  1.0
  Ge  Ge7  1  0.28010360  0.71989840  0.00000000  1.0
  Ge  Ge8  1  0.08886306  0.91113894  0.00000000  1.0
  Ge  Ge9  1  0.00000000  0.00000000  0.50000000  1.0
  Ge  Ge10  1  0.58875994  0.41124106  0.50000000  1.0
  Ge  Ge11  1  0.41124106  0.58875994  0.50000000  1.0

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