Eu6BiO12

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296346 · Space group: R-3 (#148)

Materials Project API

Basic Information

Formula

Eu6BiO12

MP-ID

mp-3296346

Elements

Sites

Density

7.7461

g/cm³

Volume

281.42

Å³

Cell a

6.6404

Cell b

6.6404

Cell c

6.6404

α Angle

98.74

β Angle

98.74

γ Angle

98.74

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
13.71	6.4570	2.2	(1,0,0)
21.13	4.2046	5.7	(1,1,0)
22.38	3.9728	1.4	(1,-1,1)
27.89	3.1986	33.6	(1,1,1)
28.61	3.1200	100.0	(2,0,-1)
30.73	2.9097	2.0	(2,-1,-1)
32.95	2.7185	46.2	(2,1,-1)
33.17	2.7006	1.6	(2,1,0)
38.34	2.3474	2.2	(2,1,-2)
41.79	2.1614	2.8	(3,0,-1)
41.98	2.1524	3.8	(3,0,0)
43.03	2.1023	1.1	(2,2,0)
46.82	1.9403	30.6	(3,1,0)
47.75	1.9048	28.6	(3,-1,-2)
49.31	1.8480	2.4	(3,1,-2)
53.80	1.7040	1.7	(3,2,-1)
55.38	1.6589	4.6	(3,2,0)
55.38	1.6589	9.3	(3,0,2)
56.21	1.6366	21.3	(3,2,-2)
56.21	1.6366	4.3	(2,-2,-3)
56.61	1.6258	10.3	(3,1,-3)
56.61	1.6258	4.1	(3,-3,-1)
57.64	1.5993	3.0	(2,2,2)
59.23	1.5600	7.2	(4,0,-2)

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Energy Properties

Formation Energy/atom

-2.65239

eV/atom

Energy/atom

-21.66807

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.6681

eV/atom

Volume/atom

14.81

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

35.0001

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.124370

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

56.155%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0387

smaller = more stable mixing

VEC

5.000

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)

aaahfogo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296346

Reference Citation

The crystal structure and related material properties of Eu6BiO12 were obtained from the Materials Project database (MP-ID: mp-3296346, 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_Eu6BiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64041259
_cell_length_b   6.64041261
_cell_length_c   6.64041263
_cell_angle_alpha   98.74113151
_cell_angle_beta   98.74112540
_cell_angle_gamma   98.74111677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu6BiO12
_chemical_formula_sum   'Eu6 Bi1 O12'
_cell_volume   281.41655016
_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  0.13836179  0.30138659  0.60467175  1.0
  Eu  Eu1  1  0.39532825  0.86163821  0.69861341  1.0
  Eu  Eu2  1  0.69861341  0.39532825  0.86163821  1.0
  Eu  Eu3  1  0.30138659  0.60467175  0.13836179  1.0
  Eu  Eu4  1  0.60467175  0.13836179  0.30138659  1.0
  Eu  Eu5  1  0.86163821  0.69861341  0.39532825  1.0
  Bi  Bi6  1  0.00000000  0.00000000  0.00000000  1.0
  O  O7  1  0.06553433  0.31095067  0.95333268  1.0
  O  O8  1  0.04666732  0.93446567  0.68904933  1.0
  O  O9  1  0.40783918  0.56596874  0.82254526  1.0
  O  O10  1  0.17745474  0.59216082  0.43403126  1.0
  O  O11  1  0.68904933  0.04666732  0.93446567  1.0
  O  O12  1  0.43403126  0.17745474  0.59216082  1.0
  O  O13  1  0.56596874  0.82254526  0.40783918  1.0
  O  O14  1  0.31095067  0.95333268  0.06553433  1.0
  O  O15  1  0.82254526  0.40783918  0.56596874  1.0
  O  O16  1  0.59216082  0.43403126  0.17745474  1.0
  O  O17  1  0.95333268  0.06553433  0.31095067  1.0
  O  O18  1  0.93446567  0.68904933  0.04666732  1.0

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