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EuTi2CdO6F

High-Entropy Materials HEA

MP-ID: mp-684730 · Space group: Imma (#74)

Basic Information

Formula
EuTi2CdO6F
MP-ID
mp-684730
Elements
5
Sites
22
Density
5.7815
g/cm³
Volume
272.91
ų
Cell a
7.2745
Å
Cell b
7.2745
Å
Cell c
7.2745
Å
α Angle
120.70
°
β Angle
118.91
°
γ Angle
90.34
°
Space Group
Imma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
14.77 5.9982 12.4 (1,0,0)
15.04 5.8912 32.4 (0,1,0)
17.29 5.1283 1.8 (1,1,-1)
28.50 3.1316 12.3 (1,0,1)
28.77 3.1033 2.1 (2,1,-1)
28.91 3.0881 5.5 (1,2,-1)
28.94 3.0857 3.5 (0,1,1)
29.79 2.9991 100.0 (2,0,0)
30.34 2.9456 94.2 (0,2,0)
34.79 2.5787 34.8 (0,0,2)
34.99 2.5642 17.1 (2,2,-2)
37.53 2.3966 5.1 (2,-1,1)
37.96 2.3701 17.6 (2,1,0)
38.30 2.3501 9.2 (1,2,0)
38.54 2.3359 8.2 (1,-2,-1)
39.10 2.3038 1.1 (1,1,1)
45.47 1.9947 3.8 (1,0,2)
45.91 1.9767 1.8 (3,2,-2)
45.96 1.9748 7.3 (0,1,2)
46.01 1.9728 3.7 (2,3,-2)
49.29 1.8486 16.3 (2,-2,2)
50.17 1.8183 62.9 (2,2,0)
50.74 1.7992 15.4 (2,-2,-2)
51.83 1.7638 3.9 (2,-1,2)
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Energy Properties

Formation Energy/atom
-2.78052
eV/atom
Energy/atom
-8.11156
eV/atom
Energy above Hull
0.3823
eV/atom
Uncorrected Energy
-7.6948
eV/atom
Volume/atom
12.41
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
4.0413
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.014810
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.545
Element Family
Metalloid-Nonmetal
Solute Fraction
0.455
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2945
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.7628
J/mol·K
Ω Parameter
0.0731
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
51.439%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9915
smaller = more stable mixing
VEC
5.091
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-79.727
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8043
SS Former
0
Phase Tendency
AM

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-684730
Reference Citation

The crystal structure and related material properties of EuTi2CdO6F were obtained from the Materials Project database (MP-ID: mp-684730, 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_EuTi2CdO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27446971
_cell_length_b   7.27446971
_cell_length_c   7.27446971
_cell_angle_alpha   120.70499327
_cell_angle_beta   118.90561200
_cell_angle_gamma   90.34457992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuTi2CdO6F
_chemical_formula_sum   'Eu2 Ti4 Cd2 O12 F2'
_cell_volume   272.91273693
_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  0.00000000  0.00000000  0.00000000  1.0
  Eu  Eu1  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti3  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti4  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti5  1  0.50000000  0.00000000  0.00000000  1.0
  Cd  Cd6  1  0.00000000  0.50000000  0.00000000  1.0
  Cd  Cd7  1  0.00000000  0.00000000  0.50000000  1.0
  O  O8  1  0.57916400  0.82916400  0.75000000  1.0
  O  O9  1  0.17529100  0.42033300  0.34713200  1.0
  O  O10  1  0.57320100  0.42033300  0.74504200  1.0
  O  O11  1  0.17529100  0.82815900  0.75495800  1.0
  O  O12  1  0.17476200  0.42476200  0.75000000  1.0
  O  O13  1  0.57320100  0.82815900  0.15286800  1.0
  O  O14  1  0.82523800  0.57523800  0.25000000  1.0
  O  O15  1  0.42679900  0.17184100  0.84713200  1.0
  O  O16  1  0.42679900  0.57966700  0.25495800  1.0
  O  O17  1  0.82470900  0.17184100  0.24504200  1.0
  O  O18  1  0.82470900  0.57966700  0.65286800  1.0
  O  O19  1  0.42083600  0.17083600  0.25000000  1.0
  F  F20  1  0.12041000  0.87041000  0.25000000  1.0
  F  F21  1  0.87959000  0.12959000  0.75000000  1.0
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