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Dy2Cr2C3

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025323 · Space group: C2/m (#12)

Basic Information

Formula
Dy2Cr2C3
MP-ID
mp-1025323
Elements
3
Sites
7
Density
8.2518
g/cm³
Volume
93.58
ų
Cell a
3.3779
Å
Cell b
5.4678
Å
Cell c
5.5289
Å
α Angle
104.75
°
β Angle
90.00
°
γ Angle
107.99
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
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
16.64 5.3271 1.4 (0,0,1)
17.70 5.0106 1.2 (0,1,0)
20.83 4.2636 27.0 (0,1,-1)
27.51 3.2422 42.1 (0,1,1)
27.87 3.2010 40.5 (1,-1,0)
31.35 2.8536 2.9 (1,-1,1)
33.61 2.6663 47.4 (0,1,-2)
33.65 2.6635 15.5 (0,0,2)
33.88 2.6457 100.0 (1,-1,-1)
35.27 2.5446 24.1 (0,2,-1)
35.84 2.5053 33.9 (0,2,0)
37.88 2.3752 1.1 (1,-2,0)
38.45 2.3414 87.5 (1,-2,1)
42.24 2.1393 25.6 (1,0,-2)
42.40 2.1318 3.7 (0,2,-2)
42.49 2.1276 16.5 (0,1,2)
43.86 2.0642 3.2 (0,2,1)
44.63 2.0303 5.2 (1,-2,-1)
44.63 2.0303 5.2 (1,1,1)
46.11 1.9686 2.4 (1,-2,2)
46.16 1.9664 2.4 (1,-1,-2)
46.16 1.9664 2.4 (1,0,2)
51.46 1.7757 7.0 (0,0,3)
53.14 1.7237 21.5 (1,-3,0)
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Energy Properties

Formation Energy/atom
-0.30050
eV/atom
Energy/atom
-8.33419
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.0625
eV/atom
Volume/atom
13.37
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
1.3681
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.014620
μB/ų

Elastic Properties

KVRH
160.099
GPa
GVRH
68.541
GPa
Young's Modulus E
179.944
GPa
Poisson Ratio ν
0.313
Pugh Ratio K/G
2.336
Vickers Hardness Est.
5.790
GPa
Ductility
Brittle
Anisotropy
0.837
Lame λ
114.405
GPa

Feature Analysis

Composition Overview

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

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0790
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.9707
J/mol·K
Ω Parameter
0.8231
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
34.226%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5739
smaller = more stable mixing
VEC
6.286
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-29.878
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9821
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
C-rich Multi-Component
Matrix Element
C · 0.429

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.8370
Homogeneous Poisson ν
0.3130
Debye Temperature
603.3
K
Sound Velocity
3,224.4
m/s
Homogeneity
0.3130

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1025323
Reference Citation

The crystal structure and related material properties of Dy2Cr2C3 were obtained from the Materials Project database (MP-ID: mp-1025323, 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_Dy2Cr2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37791228
_cell_length_b   5.46782655
_cell_length_c   5.52887046
_cell_angle_alpha   104.75154970
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.99234625
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Cr2C3
_chemical_formula_sum   'Dy2 Cr2 C3'
_cell_volume   93.57824873
_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
  Dy  Dy0  1  0.39495433  0.78990866  0.68354455  1.0
  Dy  Dy1  1  0.60504567  0.21009134  0.31645545  1.0
  Cr  Cr2  1  0.15636812  0.31273623  0.88807486  1.0
  Cr  Cr3  1  0.84363188  0.68726377  0.11192514  1.0
  C  C4  1  0.71323529  0.42647158  0.77145601  1.0
  C  C5  1  0.28676471  0.57352842  0.22854399  1.0
  C  C6  1  -0.00000000  -0.00000000  -0.00000000  1.0
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