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Ho2Cr2C3

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-8499 · Space group: C2/m (#12)

Basic Information

Formula
Ho2Cr2C3
MP-ID
mp-8499
Elements
3
Sites
7
Density
8.4324
g/cm³
Volume
92.53
ų
Cell a
3.3626
Å
Cell b
5.4675
Å
Cell c
5.4947
Å
α Angle
104.94
°
β Angle
90.00
°
γ Angle
107.91
°
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
16.76 5.2892 1.6 (0,0,1)
17.71 5.0080 1.0 (0,1,0)
20.86 4.2577 29.0 (0,1,-1)
27.65 3.2263 42.0 (0,1,1)
27.99 3.1878 40.8 (1,0,0)
31.49 2.8407 3.2 (1,0,-1)
33.77 2.6542 46.6 (0,1,-2)
33.90 2.6446 16.0 (0,0,2)
34.07 2.6318 100.0 (1,0,1)
35.26 2.5455 23.8 (0,2,-1)
35.86 2.5040 34.9 (0,2,0)
37.98 2.3692 1.4 (1,1,0)
38.54 2.3363 88.1 (1,1,-1)
42.46 2.1289 4.1 (0,2,-2)
42.49 2.1275 25.7 (1,-1,2)
42.77 2.1140 16.5 (0,1,2)
44.00 2.0579 2.9 (0,2,1)
44.82 2.0221 10.4 (1,1,1)
46.27 1.9620 2.3 (1,1,-2)
46.47 1.9543 4.7 (1,0,2)
51.86 1.7631 6.9 (0,0,3)
53.23 1.7210 21.6 (1,2,0)
54.58 1.6813 18.5 (2,-1,0)
54.98 1.6702 4.7 (0,2,-3)
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Energy Properties

Formation Energy/atom
-0.31142
eV/atom
Energy/atom
-8.33919
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.3293
eV/atom
Volume/atom
13.22
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
1.3278
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.014350
μB/ų

Elastic Properties

KVRH
160.653
GPa
GVRH
70.234
GPa
Young's Modulus E
183.903
GPa
Poisson Ratio ν
0.309
Pugh Ratio K/G
2.287
Vickers Hardness Est.
6.138
GPa
Ductility
Brittle
Anisotropy
0.797
Lame λ
113.830
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
0.8277
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
34.226%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5705
smaller = more stable mixing
VEC
6.571
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
0.7970
Homogeneous Poisson ν
0.3090
Debye Temperature
608.2
K
Sound Velocity
3,227.4
m/s
Homogeneity
0.3090

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-8499
Reference Citation

The crystal structure and related material properties of Ho2Cr2C3 were obtained from the Materials Project database (MP-ID: mp-8499, 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_Ho2Cr2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36263719
_cell_length_b   5.46747857
_cell_length_c   5.49468099
_cell_angle_alpha   104.93744630
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.90939243
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Cr2C3
_chemical_formula_sum   'Ho2 Cr2 C3'
_cell_volume   92.53134932
_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
  Ho  Ho0  1  0.60574651  0.21149303  0.81599074  1.0
  Ho  Ho1  1  0.39425349  0.78850697  0.18400926  1.0
  Cr  Cr2  1  0.84397984  0.68795868  0.61348582  1.0
  Cr  Cr3  1  0.15602016  0.31204132  0.38651418  1.0
  C  C4  1  0.28577396  0.57154692  0.73015362  1.0
  C  C5  1  0.71422604  0.42845308  0.26984638  1.0
  C  C6  1  0.00000000  0.00000000  0.50000000  1.0
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