EuHo6CoBr12

High-Entropy Materials HEA

MP-ID: mp-3296714 · Space group: R-3 (#148)

Materials Project API

Basic Information

Formula

EuHo6CoBr12

MP-ID

mp-3296714

Elements

Sites

Density

5.7156

g/cm³

Volume

627.34

Å³

Cell a

9.0199

Cell b

9.0199

Cell c

9.0199

α Angle

105.98

β Angle

105.98

γ Angle

105.98

Space Group

R-3

Point Group

-3

Crystal System

Trigonal

Bravais Lattice

Stability

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
11.03	8.0208	28.2	(1,0,0)
12.29	7.2028	38.0	(1,0,-1)
16.54	5.3591	6.1	(1,1,-1)
18.38	4.8280	1.0	(1,1,0)
20.66	4.2996	8.1	(2,0,-1)
21.37	4.1586	1.9	(2,-1,-1)
22.17	4.0104	3.6	(0,2,0)
22.17	4.0104	1.8	(2,0,0)
24.72	3.6014	2.2	(2,0,-2)
25.42	3.5039	5.2	(2,-1,1)
27.14	3.2854	5.6	(2,-1,-2)
28.41	3.1412	12.1	(2,1,0)
30.98	2.8867	100.0	(3,0,-1)
32.43	2.7609	4.5	(3,-2,0)
32.43	2.7609	2.1	(3,0,-2)
32.90	2.7224	2.1	(3,-1,-2)
33.44	2.6796	1.6	(2,-2,2)
33.52	2.6736	3.5	(3,0,0)
35.02	2.5622	2.9	(2,1,1)
35.75	2.5114	1.1	(2,-3,-1)
35.75	2.5114	7.3	(3,1,-2)
35.83	2.5065	5.8	(3,1,-1)
37.04	2.4272	4.8	(3,-2,-2)
39.17	2.3001	4.8	(3,-1,-3)

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Energy Properties

Formation Energy/atom

-1.64574

eV/atom

Energy/atom

-22.05322

eV/atom

Energy above Hull

0.2117

eV/atom

Uncorrected Energy

-22.0532

eV/atom

Volume/atom

31.37

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.0000

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.003190

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Br · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9673

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.0418

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

21.231%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8211

smaller = more stable mixing

VEC

7.100

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6977

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfous

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296714

Reference Citation

The crystal structure and related material properties of EuHo6CoBr12 were obtained from the Materials Project database (MP-ID: mp-3296714, 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_EuHo6CoBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01990911
_cell_length_b   9.01991022
_cell_length_c   9.01990955
_cell_angle_alpha   105.98303621
_cell_angle_beta   105.98303654
_cell_angle_gamma   105.98304588
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuHo6CoBr12
_chemical_formula_sum   'Eu1 Ho6 Co1 Br12'
_cell_volume   627.33916917
_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  0.99868190  0.99868190  0.99868190  1.0
  Ho  Ho1  1  0.51861493  0.59751536  0.80179444  1.0
  Ho  Ho2  1  0.80179444  0.51861493  0.59751536  1.0
  Ho  Ho3  1  0.59751536  0.80179444  0.51861493  1.0
  Ho  Ho4  1  0.47905872  0.39997520  0.19591725  1.0
  Ho  Ho5  1  0.19591725  0.47905872  0.39997520  1.0
  Ho  Ho6  1  0.39997520  0.19591725  0.47905872  1.0
  Co  Co7  1  0.49885192  0.49885192  0.49885192  1.0
  Br  Br8  1  0.27695698  0.82459111  0.42495041  1.0
  Br  Br9  1  0.42495041  0.27695698  0.82459111  1.0
  Br  Br10  1  0.82459111  0.42495041  0.27695698  1.0
  Br  Br11  1  0.72030387  0.17308519  0.57266847  1.0
  Br  Br12  1  0.57266847  0.72030387  0.17308519  1.0
  Br  Br13  1  0.17308519  0.57266847  0.72030387  1.0
  Br  Br14  1  0.04814258  0.13183569  0.36107284  1.0
  Br  Br15  1  0.36107284  0.04814258  0.13183569  1.0
  Br  Br16  1  0.13183569  0.36107284  0.04814258  1.0
  Br  Br17  1  0.94926343  0.86576014  0.63632856  1.0
  Br  Br18  1  0.63632856  0.94926343  0.86576014  1.0
  Br  Br19  1  0.86576014  0.63632856  0.94926343  1.0

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