Eu(HO)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-625477 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

Eu(HO)3

MP-ID

mp-625477

Elements

Sites

Density

4.9024

g/cm³

Volume

137.51

Å³

Cell a

3.6793

Cell b

6.4771

Cell c

6.5142

α Angle

62.35

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/m

Point Group

2/m

Crystal System

Monoclinic

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
15.36	5.7702	64.8	(0,0,1)
15.44	5.7374	100.0	(0,1,0)
15.95	5.5575	73.7	(0,1,1)
26.51	3.3624	62.0	(0,1,-1)
27.41	3.2540	56.8	(0,1,2)
27.56	3.2363	56.2	(0,2,1)
28.78	3.1023	83.5	(1,0,1)
28.83	3.0971	69.6	(1,1,0)
29.11	3.0679	74.9	(1,1,1)
31.00	2.8851	21.2	(0,0,2)
31.18	2.8687	8.6	(0,2,0)
32.21	2.7788	15.3	(0,2,2)
36.19	2.4821	10.1	(1,1,-1)
36.88	2.4375	1.4	(1,1,2)
36.99	2.4300	1.0	(1,2,1)
39.70	2.2703	50.4	(1,0,2)
39.85	2.2623	66.4	(1,2,0)
40.69	2.2174	54.1	(1,2,2)
41.02	2.2001	4.8	(0,1,-2)
41.13	2.1946	4.8	(0,2,-1)
42.33	2.1352	13.0	(0,3,1)
42.76	2.1147	9.6	(0,2,3)
47.26	1.9234	19.9	(0,0,3)
47.54	1.9125	19.7	(0,3,0)

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Energy Properties

Formation Energy/atom

-1.90466

eV/atom

Energy/atom

-6.95002

eV/atom

Energy above Hull

0.1486

eV/atom

Uncorrected Energy

-6.6556

eV/atom

Volume/atom

9.82

Å³

c/a Ratio

1.7705

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

12.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.087270

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

H · 0.429

Element Family

Alkali-AlkEarth

Solute Fraction

0.571

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0042

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.3493

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

83.412%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8067

smaller = more stable mixing

VEC

3.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9141

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.316

Family

H-rich Multi-Component

Matrix Element

H · 0.429

Related Tasks

Related computation task IDs (3)

aaabxnhx aaadtvua aaaegbgf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-625477

Reference Citation

The crystal structure and related material properties of Eu(HO)3 were obtained from the Materials Project database (MP-ID: mp-625477, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Eu(HO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67926900
_cell_length_b   6.47712900
_cell_length_c   6.51417393
_cell_angle_alpha   62.34931085
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu(HO)3
_chemical_formula_sum   'Eu2 H6 O6'
_cell_volume   137.51049884
_cell_formula_units_Z   2
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  0.34544600  0.32264100  1.0
  Eu  Eu1  1  0.25000000  0.65455400  0.67735900  1.0
  H  H2  1  0.75000000  0.86354000  0.31997400  1.0
  H  H3  1  0.75000000  0.27766100  0.85472400  1.0
  H  H4  1  0.75000000  0.86012100  0.86015100  1.0
  H  H5  1  0.25000000  0.13646000  0.68002600  1.0
  H  H6  1  0.25000000  0.72233900  0.14527600  1.0
  H  H7  1  0.25000000  0.13987900  0.13984900  1.0
  O  O8  1  0.75000000  0.69346700  0.40582800  1.0
  O  O9  1  0.75000000  0.39197500  0.91259000  1.0
  O  O10  1  0.75000000  0.90564600  0.69499000  1.0
  O  O11  1  0.25000000  0.30653300  0.59417200  1.0
  O  O12  1  0.25000000  0.60802500  0.08741000  1.0
  O  O13  1  0.25000000  0.09435400  0.30501000  1.0

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