Eu6OsO12

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294698 · Space group: R-3 (#148)

Materials Project API

Basic Information

Formula

Eu6OsO12

MP-ID

mp-3294698

Elements

Sites

Density

7.7956

g/cm³

Volume

275.64

Å³

Cell a

6.5847

Cell b

6.5847

Cell c

6.5847

α Angle

98.26

β Angle

98.26

γ Angle

98.26

Space Group

R-3

Point Group

-3

Crystal System

Trigonal

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
21.14	4.2033	5.7	(1,1,0)
22.59	3.9356	2.6	(1,1,-1)
27.80	3.2091	34.1	(1,1,1)
28.92	3.0876	100.0	(2,0,-1)
31.11	2.8749	1.6	(2,-1,-1)
33.19	2.6991	31.6	(2,1,-1)
33.19	2.6991	15.7	(1,-1,2)
33.21	2.6975	2.4	(2,1,0)
38.79	2.3215	2.3	(2,-1,-2)
42.19	2.1421	2.3	(3,-1,0)
42.20	2.1413	2.5	(2,2,-1)
42.20	2.1413	1.2	(2,-1,2)
42.99	2.1040	1.3	(3,-1,-1)
43.04	2.1017	1.2	(2,0,2)
46.93	1.9363	19.7	(3,1,0)
46.93	1.9363	9.9	(1,0,3)
48.36	1.8821	26.8	(3,-1,-2)
49.83	1.8301	1.2	(3,1,-2)
49.83	1.8301	2.4	(3,-2,1)
54.05	1.6966	1.7	(3,-1,2)
55.42	1.6579	8.8	(3,2,0)
55.42	1.6579	4.4	(2,0,3)
56.70	1.6235	4.3	(3,2,-2)
56.70	1.6235	21.2	(3,-2,2)

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Energy Properties

Formation Energy/atom

-2.71261

eV/atom

Energy/atom

-21.43792

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.4379

eV/atom

Volume/atom

14.51

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

37.9978

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.137860

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.632

Element Family

Metalloid-Nonmetal

Solute Fraction

0.368

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8092

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.7277

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

55.922%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0337

smaller = more stable mixing

VEC

5.158

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7366

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.564

Family

O-rich Multi-Component

Matrix Element

O · 0.632

Related Tasks

Related computation task IDs (1)

aaahflve

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294698

Reference Citation

The crystal structure and related material properties of Eu6OsO12 were obtained from the Materials Project database (MP-ID: mp-3294698, 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_Eu6OsO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58468400
_cell_length_b   6.58468341
_cell_length_c   6.58468309
_cell_angle_alpha   98.26325153
_cell_angle_beta   98.26325987
_cell_angle_gamma   98.26324606
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu6OsO12
_chemical_formula_sum   'Eu6 Os1 O12'
_cell_volume   275.63527692
_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  0.14082793  0.30507983  0.60608257  1.0
  Eu  Eu1  1  0.39391743  0.85917207  0.69492017  1.0
  Eu  Eu2  1  0.69492017  0.39391743  0.85917207  1.0
  Eu  Eu3  1  0.30507983  0.60608257  0.14082793  1.0
  Eu  Eu4  1  0.60608257  0.14082793  0.30507983  1.0
  Eu  Eu5  1  0.85917207  0.69492017  0.39391743  1.0
  Os  Os6  1  0.00000000  0.00000000  0.00000000  1.0
  O  O7  1  0.06499625  0.28770405  0.97092554  1.0
  O  O8  1  0.02907446  0.93500375  0.71229595  1.0
  O  O9  1  0.40504531  0.56477883  0.82419289  1.0
  O  O10  1  0.17580711  0.59495469  0.43522117  1.0
  O  O11  1  0.71229595  0.02907446  0.93500375  1.0
  O  O12  1  0.43522117  0.17580711  0.59495469  1.0
  O  O13  1  0.56477883  0.82419289  0.40504531  1.0
  O  O14  1  0.28770405  0.97092554  0.06499625  1.0
  O  O15  1  0.82419289  0.40504531  0.56477883  1.0
  O  O16  1  0.59495469  0.43522117  0.17580711  1.0
  O  O17  1  0.97092554  0.06499625  0.28770405  1.0
  O  O18  1  0.93500375  0.71229595  0.02907446  1.0

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