YbEu(CoO2)6

High-Entropy Materials HEA

MP-ID: mp-3292230 · Space group: P2/m (#10)

Materials Project API

Basic Information

Formula

YbEu(CoO2)6

MP-ID

mp-3292230

Elements

Sites

Density

6.5923

g/cm³

Volume

219.30

Å³

Cell a

4.8730

Cell b

5.5724

Cell c

8.4320

α Angle

89.98

β Angle

90.00

γ Angle

73.29

Space Group

P2/m

Point Group

2/m

Crystal System

Monoclinic

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
10.49	8.4320	2.2	(0,0,1)
16.61	5.3371	38.1	(0,1,0)
21.07	4.2160	93.8	(0,0,2)
21.76	4.0835	87.5	(1,0,-1)
21.77	4.0833	87.5	(1,0,1)
23.87	3.7273	71.0	(1,1,1)
23.88	3.7266	71.0	(1,1,-1)
26.95	3.3090	52.5	(0,1,2)
26.96	3.3077	52.5	(0,1,-2)
30.73	2.9094	37.3	(1,-1,-1)
30.74	2.9088	37.3	(1,-1,1)
33.58	2.6686	89.5	(0,2,0)
35.24	2.5466	25.8	(1,2,1)
35.25	2.5461	25.8	(1,2,-1)
38.58	2.3336	50.3	(2,0,0)
38.67	2.3283	49.8	(1,1,3)
38.68	2.3277	49.8	(1,1,-3)
39.98	2.2552	18.2	(0,2,2)
39.99	2.2544	18.2	(0,2,-2)
42.90	2.1080	15.4	(0,0,4)
43.28	2.0906	14.8	(2,1,2)
43.28	2.0904	14.8	(2,1,-2)
43.46	2.0823	100.0	(1,-1,-3)
43.47	2.0818	100.0	(1,-1,3)

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Energy Properties

Formation Energy/atom

-1.86931

eV/atom

Energy/atom

-13.17561

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.1756

eV/atom

Volume/atom

10.96

Å³

c/a Ratio

1.7304

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.0003

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.027360

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 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

45.296%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8769

smaller = more stable mixing

VEC

6.150

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)

aaahfieg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292230

Reference Citation

The crystal structure and related material properties of YbEu(CoO2)6 were obtained from the Materials Project database (MP-ID: mp-3292230, 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_YbEu(CoO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87295650
_cell_length_b   5.57240087
_cell_length_c   8.43197218
_cell_angle_alpha   89.97771742
_cell_angle_beta   89.99767640
_cell_angle_gamma   73.29132362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbEu(CoO2)6
_chemical_formula_sum   'Yb1 Eu1 Co6 O12'
_cell_volume   219.29529472
_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
  Yb  Yb0  1  0.49999757  0.49999531  0.66669447  1.0
  Eu  Eu1  1  0.00000760  0.50000115  0.16663913  1.0
  Co  Co2  1  0.49999470  0.00000556  0.16663948  1.0
  Co  Co3  1  0.49998077  0.00002697  0.83242517  1.0
  Co  Co4  1  0.50001989  0.99996871  0.50096581  1.0
  Co  Co5  1  0.99999554  0.99999848  0.66666213  1.0
  Co  Co6  1  0.99999657  0.99997091  0.33605193  1.0
  Co  Co7  1  0.99999848  0.00002912  0.99724427  1.0
  O  O8  1  0.77265559  0.18193467  0.16659042  1.0
  O  O9  1  0.27637922  0.18264951  0.66665094  1.0
  O  O10  1  0.22734874  0.81807390  0.16666820  1.0
  O  O11  1  0.72362037  0.81734458  0.66678345  1.0
  O  O12  1  0.27356951  0.18366411  0.99865587  1.0
  O  O13  1  0.77061378  0.18485439  0.50279256  1.0
  O  O14  1  0.27361532  0.18352698  0.33457581  1.0
  O  O15  1  0.77067353  0.18486992  0.83045133  1.0
  O  O16  1  0.72642055  0.81636923  0.33466753  1.0
  O  O17  1  0.22936553  0.81514386  0.83054306  1.0
  O  O18  1  0.72639608  0.81645516  0.99875333  1.0
  O  O19  1  0.22935068  0.81511948  0.50288012  1.0

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