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Eu(C2N3)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-637267 · Space group: Cmcm (#63)

Basic Information

Formula
Eu(C2N3)3
MP-ID
mp-637267
Elements
3
Sites
32
Density
2.4047
g/cm³
Volume
483.50
ų
Cell a
7.0117
Å
Cell b
7.0117
Å
Cell c
10.4669
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
110.02
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
Stability
No
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
13.44 6.5880 3.4 (1,0,0)
15.43 5.7443 29.5 (1,-1,0)
15.90 5.5755 100.0 (1,0,1)
16.94 5.2335 20.4 (0,0,2)
17.61 5.0358 7.7 (1,-1,1)
21.69 4.0978 20.7 (1,0,2)
22.11 4.0207 5.9 (1,1,0)
22.99 3.8686 9.9 (1,-1,2)
25.77 3.4575 1.7 (2,-1,0)
27.07 3.2940 12.3 (2,0,0)
27.16 3.2830 29.1 (2,-1,1)
27.98 3.1884 13.1 (1,1,2)
28.41 3.1421 5.3 (2,0,1)
28.96 3.0833 31.3 (1,0,3)
29.96 2.9820 4.5 (1,-1,3)
31.00 2.8848 18.9 (2,-1,2)
31.14 2.8722 1.3 (2,-2,0)
32.11 2.7878 15.0 (2,0,2)
32.32 2.7698 14.2 (2,-2,1)
34.27 2.6167 9.2 (0,0,4)
35.44 2.5328 15.2 (2,1,1)
35.66 2.5179 5.7 (2,-2,2)
36.59 2.4559 11.8 (2,-1,3)
37.55 2.3952 13.9 (2,0,3)
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Energy Properties

Formation Energy/atom
-0.07047
eV/atom
Energy/atom
-11.34316
eV/atom
Energy above Hull
0.1705
eV/atom
Uncorrected Energy
-8.6651
eV/atom
Volume/atom
15.11
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
11.9999
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.024820
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
N · 0.563
Element Family
Metalloid-Nonmetal
Solute Fraction
0.438
Interstitial Fraction
0.938

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8647
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.1894
J/mol·K
Ω Parameter
1.7758
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
32.012%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4609
smaller = more stable mixing
VEC
4.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.226
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7871
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.464
Family
Interstitial Alloy
Matrix Element
N · 0.563

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-637267
Reference Citation

The crystal structure and related material properties of Eu(C2N3)3 were obtained from the Materials Project database (MP-ID: mp-637267, 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_Eu(C2N3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01166756
_cell_length_b   7.01166756
_cell_length_c   10.46693000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.02009537
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu(C2N3)3
_chemical_formula_sum   'Eu2 C12 N18'
_cell_volume   483.49534827
_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  0.71207300  0.28792700  0.25000000  1.0
  Eu  Eu1  1  0.28792700  0.71207300  0.75000000  1.0
  C  C2  1  0.71310000  0.99680400  0.55894300  1.0
  C  C3  1  0.44778800  0.25969200  0.75000000  1.0
  C  C4  1  0.55221200  0.74030800  0.25000000  1.0
  C  C5  1  0.00319600  0.28690000  0.55894300  1.0
  C  C6  1  0.99680400  0.71310000  0.44105700  1.0
  C  C7  1  0.99680400  0.71310000  0.05894300  1.0
  C  C8  1  0.28690000  0.00319600  0.05894300  1.0
  C  C9  1  0.00319600  0.28690000  0.94105700  1.0
  C  C10  1  0.74030800  0.55221200  0.75000000  1.0
  C  C11  1  0.25969200  0.44778800  0.25000000  1.0
  C  C12  1  0.71310000  0.99680400  0.94105700  1.0
  C  C13  1  0.28690000  0.00319600  0.44105700  1.0
  N  N14  1  0.08852700  0.33789500  0.25000000  1.0
  N  N15  1  0.84920500  0.15079500  0.50499400  1.0
  N  N16  1  0.57941100  0.85145200  0.59382500  1.0
  N  N17  1  0.42058900  0.14854800  0.40617500  1.0
  N  N18  1  0.33789500  0.08852700  0.75000000  1.0
  N  N19  1  0.14854800  0.42058900  0.59382500  1.0
  N  N20  1  0.54585300  0.45414700  0.75000000  1.0
  N  N21  1  0.15079500  0.84920500  0.49500600  1.0
  N  N22  1  0.84920500  0.15079500  0.99500600  1.0
  N  N23  1  0.45414700  0.54585300  0.25000000  1.0
  N  N24  1  0.85145200  0.57941100  0.09382500  1.0
  N  N25  1  0.42058900  0.14854800  0.09382500  1.0
  N  N26  1  0.91147300  0.66210500  0.75000000  1.0
  N  N27  1  0.15079500  0.84920500  0.00499400  1.0
  N  N28  1  0.14854800  0.42058900  0.90617500  1.0
  N  N29  1  0.85145200  0.57941100  0.40617500  1.0
  N  N30  1  0.66210500  0.91147300  0.25000000  1.0
  N  N31  1  0.57941100  0.85145200  0.90617500  1.0
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