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
mC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 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) |
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
1.6340
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.
-
GPa
Ductility
Brittle
Anisotropy
0.797
Lame λ
113.830
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.429
Element Family
Metalloid-Nonmetal
Solute Fraction
0.571
Interstitial Fraction
0.429
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
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
3D Crystal Structure Rendering
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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
