Basic Information
Formula
DyFeC2
MP-ID
mp-1018065
Elements
3
Sites
4
Density
8.2547
g/cm³
Volume
48.76
ų
Cell a
3.6123
Å
Cell b
3.7435
Å
Cell c
3.7435
Å
α Angle
105.61
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 24.65 | 3.6123 | 15.6 | (1,0,0) |
| 24.69 | 3.6055 | 33.3 | (0,1,0) |
| 24.69 | 3.6055 | 33.3 | (0,0,1) |
| 29.97 | 2.9820 | 46.2 | (0,1,-1) |
| 35.17 | 2.5519 | 100.0 | (1,1,0) |
| 35.17 | 2.5519 | 100.0 | (1,0,1) |
| 39.17 | 2.2996 | 45.4 | (1,1,-1) |
| 39.83 | 2.2631 | 35.2 | (0,1,1) |
| 47.40 | 1.9178 | 11.5 | (1,1,1) |
| 50.12 | 1.8202 | 15.4 | (0,2,-1) |
| 50.12 | 1.8202 | 15.4 | (0,1,-2) |
| 50.53 | 1.8061 | 21.9 | (2,0,0) |
| 50.64 | 1.8027 | 14.6 | (0,2,0) |
| 50.64 | 1.8027 | 14.6 | (0,0,2) |
| 56.62 | 1.6255 | 12.6 | (1,2,-1) |
| 56.62 | 1.6255 | 12.6 | (1,1,-2) |
| 57.03 | 1.6149 | 7.3 | (2,1,0) |
| 57.03 | 1.6149 | 7.3 | (2,0,1) |
| 57.10 | 1.6130 | 12.2 | (1,2,0) |
| 57.10 | 1.6130 | 12.2 | (1,0,2) |
| 59.87 | 1.5449 | 13.8 | (2,1,-1) |
| 62.27 | 1.4910 | 3.7 | (0,2,-2) |
| 63.62 | 1.4627 | 3.3 | (0,2,1) |
| 63.62 | 1.4627 | 3.3 | (0,1,2) |
Energy Properties
Formation Energy/atom
-0.26032
eV/atom
Energy/atom
-8.14791
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.8647
eV/atom
Volume/atom
12.19
ų
c/a Ratio
1.0363
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.7515
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.035920
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
0.9627
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
35.717%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5560
smaller = more stable mixing
VEC
6.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-25.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018065
Reference Citation
The crystal structure and related material properties of DyFeC2 were obtained from the Materials Project database (MP-ID: mp-1018065, 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…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_DyFeC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61228757
_cell_length_b 3.74350273
_cell_length_c 3.74349988
_cell_angle_alpha 105.60853648
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyFeC2
_chemical_formula_sum 'Dy1 Fe1 C2'
_cell_volume 48.75507386
_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 -0.00000000 0.99166946 0.00832954 1.0
Fe Fe1 1 0.50000000 0.39185361 0.60814639 1.0
C C2 1 0.50000000 0.85625061 0.45477468 1.0
C C3 1 0.50000000 0.54522532 0.14375039 1.0
