Basic Information
Formula
DyCoSi2
MP-ID
mp-8742
Elements
3
Sites
8
Density
7.2060
g/cm³
Volume
127.94
ų
Cell a
3.9460
Å
Cell b
4.0090
Å
Cell c
8.3323
Å
α Angle
103.92
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
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 |
|---|---|---|---|
| 10.94 | 8.0876 | 2.6 | (0,0,1) |
| 21.98 | 4.0438 | 46.6 | (0,0,2) |
| 22.85 | 3.8912 | 29.6 | (0,1,0) |
| 25.11 | 3.5464 | 43.4 | (1,0,1) |
| 27.73 | 3.2171 | 4.0 | (0,1,1) |
| 31.68 | 2.8242 | 28.7 | (1,0,2) |
| 32.31 | 2.7707 | 100.0 | (1,1,0) |
| 33.23 | 2.6959 | 5.9 | (0,0,3) |
| 35.66 | 2.5176 | 45.9 | (0,1,2) |
| 35.66 | 2.5176 | 45.9 | (0,1,-3) |
| 36.02 | 2.4935 | 63.4 | (1,1,1) |
| 36.02 | 2.4935 | 63.4 | (1,1,-2) |
| 40.53 | 2.2260 | 50.3 | (1,0,3) |
| 42.60 | 2.1224 | 8.0 | (1,1,2) |
| 42.60 | 2.1224 | 8.0 | (1,1,-3) |
| 44.83 | 2.0219 | 2.2 | (0,0,4) |
| 45.24 | 2.0045 | 40.9 | (0,2,-1) |
| 46.00 | 1.9730 | 39.0 | (2,0,0) |
| 50.74 | 1.7994 | 21.1 | (1,0,4) |
| 50.84 | 1.7960 | 5.3 | (0,2,1) |
| 50.84 | 1.7960 | 5.3 | (0,2,-3) |
| 51.16 | 1.7854 | 1.6 | (1,1,3) |
| 51.16 | 1.7854 | 1.6 | (1,1,-4) |
| 51.54 | 1.7732 | 10.2 | (2,0,2) |
Energy Properties
Formation Energy/atom
-0.74267
eV/atom
Energy/atom
-6.39328
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.4565
eV/atom
Volume/atom
15.99
ų
c/a Ratio
2.1116
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
127.501
GPa
GVRH
61.207
GPa
Young's Modulus E
158.292
GPa
Poisson Ratio ν
0.293
Pugh Ratio K/G
2.083
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.223
Lame λ
86.696
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 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
0.8424
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
18.114%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2917
smaller = more stable mixing
VEC
6.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-17.500
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-8742
Reference Citation
The crystal structure and related material properties of DyCoSi2 were obtained from the Materials Project database (MP-ID: mp-8742, 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_DyCoSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94600424
_cell_length_b 4.00896333
_cell_length_c 8.33229944
_cell_angle_alpha 103.92003562
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyCoSi2
_chemical_formula_sum 'Dy2 Co2 Si4'
_cell_volume 127.94086790
_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
Dy Dy0 1 0.25000000 0.89161865 0.78323630 1.0
Dy Dy1 1 0.75000000 0.10838135 0.21676370 1.0
Co Co2 1 0.25000000 0.67919086 0.35838073 1.0
Co Co3 1 0.75000000 0.32080914 0.64161927 1.0
Si Si4 1 0.75000000 0.74982403 0.49964806 1.0
Si Si5 1 0.25000000 0.25017597 0.50035194 1.0
Si Si6 1 0.75000000 0.45691532 0.91383165 1.0
Si Si7 1 0.25000000 0.54308468 0.08616835 1.0
