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Eu2TiO4

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025200 · Space group: I4/mmm (#139)

Basic Information

Formula
Eu2TiO4
MP-ID
mp-1025200
Elements
3
Sites
7
Density
7.3893
g/cm³
Volume
93.44
ų
Cell a
3.8889
Å
Cell b
3.8889
Å
Cell c
6.7626
Å
α Angle
106.71
°
β Angle
106.71
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
23.99 3.7095 12.5 (0,1,0)
23.99 3.7095 24.9 (1,0,0)
23.99 3.7095 12.4 (0,1,-1)
28.90 3.0892 23.4 (0,0,2)
31.64 2.8277 36.8 (0,1,1)
31.64 2.8277 36.8 (1,0,1)
31.64 2.8277 36.8 (1,0,-2)
31.64 2.8277 36.8 (0,1,-2)
32.56 2.7499 100.0 (1,-1,0)
35.74 2.5123 3.4 (1,1,0)
35.74 2.5123 3.4 (1,-1,1)
43.38 2.0858 2.4 (0,1,2)
43.38 2.0858 2.4 (1,0,2)
43.38 2.0858 2.4 (1,0,-3)
43.38 2.0858 2.4 (0,1,-3)
43.97 2.0595 16.7 (0,0,3)
44.09 2.0540 12.9 (1,1,1)
44.09 2.0540 12.9 (1,-1,-2)
44.09 2.0540 25.8 (1,-1,2)
46.72 1.9444 24.7 (0,2,-1)
46.72 1.9444 24.7 (2,0,-1)
53.18 1.7222 3.3 (1,2,-1)
53.18 1.7222 3.3 (2,1,-1)
53.18 1.7222 3.3 (2,-1,0)
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Energy Properties

Formation Energy/atom
-3.45447
eV/atom
Energy/atom
-10.34926
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.6415
eV/atom
Volume/atom
13.35
ų
c/a Ratio
1.7390

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
13.9684
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.149490
μB/ų

Elastic Properties

KVRH
133.071
GPa
GVRH
71.880
GPa
Young's Modulus E
182.737
GPa
Poisson Ratio ν
0.271
Pugh Ratio K/G
1.851
Vickers Hardness Est.
8.863
GPa
Ductility
Brittle
Anisotropy
0.103
Lame λ
85.151
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9557
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.9457
J/mol·K
Ω Parameter
0.0758
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
52.536%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0576
smaller = more stable mixing
VEC
4.857
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-65.306
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8699
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.509
Family
O-rich Multi-Component
Matrix Element
O · 0.571

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1030
Homogeneous Poisson ν
0.2710
Debye Temperature
895.3
K
Sound Velocity
3,471.3
m/s
Homogeneity
0.2710

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1025200
Reference Citation

The crystal structure and related material properties of Eu2TiO4 were obtained from the Materials Project database (MP-ID: mp-1025200, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Eu2TiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88888924
_cell_length_b   3.88888984
_cell_length_c   6.76263037
_cell_angle_alpha   106.70910243
_cell_angle_beta   106.71000101
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2TiO4
_chemical_formula_sum   'Eu2 Ti1 O4'
_cell_volume   93.43783758
_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  0.35580794  0.35581178  0.71161587  1.0
  Eu  Eu1  1  0.64419206  0.64418822  0.28838413  1.0
  Ti  Ti2  1  -0.00000000  0.00000000  0.00000000  1.0
  O  O3  1  0.16300336  0.16301089  0.32600673  1.0
  O  O4  1  0.83699664  0.83698911  0.67399327  1.0
  O  O5  1  -0.00000000  0.50000000  0.00000000  1.0
  O  O6  1  0.50000000  0.00000000  0.00000000  1.0
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