Eu2H6Ru

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-634945 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Eu2H6Ru

MP-ID

mp-634945

Elements

Sites

Density

6.5254

g/cm³

Volume

104.60

Å³

Cell a

5.2887

Cell b

5.2887

Cell c

5.2887

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 15)

2θ	d (Å)	I	hkl
20.57	4.3182	16.1	(1,1,1)
23.79	3.7397	28.6	(1,1,0)
33.90	2.6444	100.0	(2,1,1)
39.98	2.2551	8.1	(2,2,1)
41.84	2.1591	10.0	(2,2,2)
48.70	1.8698	18.6	(2,2,0)
53.40	1.7159	3.4	(3,2,2)
54.90	1.6724	12.4	(3,2,1)
60.66	1.5267	37.1	(3,3,2)
64.77	1.4394	2.6	(3,3,3)
71.33	1.3222	11.7	(4,2,2)
75.15	1.2642	2.5	(4,3,2)
76.40	1.2466	6.1	(4,3,3)
81.37	1.1826	16.3	(3,2,-1)
86.27	1.1276	3.8	(4,4,2)

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Energy Properties

Formation Energy/atom

-0.68833

eV/atom

Energy/atom

-14.37689

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.3769

eV/atom

Volume/atom

11.62

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.133840

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

H · 0.667

Element Family

Alkali-AlkEarth

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

94.713%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4157

smaller = more stable mixing

VEC

3.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.579

Family

H-rich Multi-Component

Matrix Element

H · 0.667

Related Tasks

Related computation task IDs (5)

aaadmvvw aaadsztk aaaeumbd aaaevofr aaafjjvm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-634945

Reference Citation

The crystal structure and related material properties of Eu2H6Ru were obtained from the Materials Project database (MP-ID: mp-634945, 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_Eu2H6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28869301
_cell_length_b   5.28869301
_cell_length_c   5.28869301
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2H6Ru
_chemical_formula_sum   'Eu2 H6 Ru1'
_cell_volume   104.59961289
_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
  Eu  Eu0  1  0.75000000  0.75000000  0.75000000  1.0
  Eu  Eu1  1  0.25000000  0.25000000  0.25000000  1.0
  H  H2  1  0.76974252  0.76974252  0.23025748  1.0
  H  H3  1  0.23025748  0.76974252  0.23025748  1.0
  H  H4  1  0.76974252  0.23025748  0.23025748  1.0
  H  H5  1  0.23025748  0.23025748  0.76974252  1.0
  H  H6  1  0.76974252  0.23025748  0.76974252  1.0
  H  H7  1  0.23025748  0.76974252  0.76974252  1.0
  Ru  Ru8  1  -0.00000000  0.00000000  -0.00000000  1.0

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