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EuMoO4F

High-Entropy Materials HEA

MP-ID: mp-582540 · Space group: P2_1/c (#14)

Basic Information

Formula
EuMoO4F
MP-ID
mp-582540
Elements
4
Sites
28
Density
5.3739
g/cm³
Volume
408.99
ų
Cell a
12.4596
Å
Cell b
5.2946
Å
Cell c
6.7387
Å
α Angle
66.93
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic P
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
14.22 6.2298 100.0 (2,0,0)
19.57 4.5368 60.8 (1,1,0)
20.21 4.3945 1.4 (2,0,1)
23.18 3.8374 63.5 (2,1,0)
23.19 3.8355 82.7 (2,1,1)
25.82 3.4505 35.8 (3,0,1)
27.39 3.2563 70.9 (0,1,2)
28.24 3.1604 48.0 (3,1,0)
28.25 3.1594 71.4 (3,1,1)
28.30 3.1536 81.2 (1,1,-1)
28.33 3.1505 38.7 (1,1,2)
28.66 3.1149 10.8 (4,0,0)
28.80 3.0999 24.6 (0,0,2)
29.70 3.0082 27.1 (1,0,2)
30.96 2.8882 54.7 (2,1,-1)
30.99 2.8859 23.9 (2,1,2)
32.16 2.7833 50.4 (4,0,1)
32.26 2.7753 14.6 (2,0,2)
34.17 2.6242 16.3 (4,1,0)
34.18 2.6236 21.2 (4,1,1)
34.64 2.5895 58.4 (1,2,1)
34.99 2.5642 3.5 (3,1,-1)
35.02 2.5626 4.2 (3,1,2)
36.16 2.4842 15.7 (3,0,2)
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Energy Properties

Formation Energy/atom
-2.65956
eV/atom
Energy/atom
-8.77958
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.8671
eV/atom
Volume/atom
14.61
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
23.9723
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.058610
μB/ų

Elastic Properties

Elastic data not available

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
1.1537
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.5922
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
55.500%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9007
smaller = more stable mixing
VEC
4.857
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8322
SS Former
0
Phase Tendency
IM

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-582540
Reference Citation

The crystal structure and related material properties of EuMoO4F were obtained from the Materials Project database (MP-ID: mp-582540, 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_EuMoO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.45955785
_cell_length_b   5.29463452
_cell_length_c   6.73870554
_cell_angle_alpha   66.93000096
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuMoO4F
_chemical_formula_sum   'Eu4 Mo4 O16 F4'
_cell_volume   408.99272068
_cell_formula_units_Z   4
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  0.55435566  0.63710311  0.70231395  1.0
  Eu  Eu1  1  0.05435566  0.36289689  0.79768605  1.0
  Eu  Eu2  1  0.44564434  0.36289689  0.29768605  1.0
  Eu  Eu3  1  0.94564434  0.63710311  0.20231395  1.0
  Mo  Mo4  1  0.35775480  0.07690399  0.86911940  1.0
  Mo  Mo5  1  0.85775480  0.92309601  0.63088060  1.0
  Mo  Mo6  1  0.64224520  0.92309601  0.13088060  1.0
  Mo  Mo7  1  0.14224520  0.07690399  0.36911940  1.0
  O  O8  1  0.43678206  0.29474685  0.96470462  1.0
  O  O9  1  0.22786286  0.19587780  0.78850981  1.0
  O  O10  1  0.84359853  0.23069719  0.41104321  1.0
  O  O11  1  0.65640147  0.23069719  0.91104321  1.0
  O  O12  1  0.93678206  0.70525315  0.53529538  1.0
  O  O13  1  0.06321794  0.29474685  0.46470462  1.0
  O  O14  1  0.72786286  0.80412220  0.71149019  1.0
  O  O15  1  0.56321794  0.70525315  0.03529538  1.0
  O  O16  1  0.15640147  0.76930281  0.58895679  1.0
  O  O17  1  0.57138597  0.99807897  0.33496007  1.0
  O  O18  1  0.77213714  0.80412220  0.21149019  1.0
  O  O19  1  0.34359853  0.76930281  0.08895679  1.0
  O  O20  1  0.07138597  0.00192103  0.16503993  1.0
  O  O21  1  0.92861403  0.99807897  0.83496007  1.0
  O  O22  1  0.27213714  0.19587780  0.28850981  1.0
  O  O23  1  0.42861403  0.00192103  0.66503993  1.0
  F  F24  1  0.90105187  0.46506145  0.95256178  1.0
  F  F25  1  0.40105187  0.53493855  0.54743822  1.0
  F  F26  1  0.59894813  0.46506145  0.45256178  1.0
  F  F27  1  0.09894813  0.53493855  0.04743822  1.0
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