Eu(C2N3)3

High-Entropy Materials HEA Traditional Materials TRA

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

Materials Project API

Basic Information

Formula

Eu(C2N3)3

MP-ID

mp-637267

Elements

Sites

Density

2.4047

g/cm³

Volume

483.50

Å³

Cell a

7.0117

Cell b

7.0117

Cell c

10.4669

α Angle

90.00

β Angle

90.00

γ Angle

110.02

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

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
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

Å³

c/a Ratio

1.4928

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

11.9999

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.024820

μB/Å³

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

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.464

Family

Interstitial Alloy

Matrix Element

N · 0.563

Related Tasks

Related computation task IDs (2)

aaadvtmy aaadzvqn

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

3D Crystal Structure Rendering

Loading 3D structure…

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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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