Basic Information
Formula
Dy5Si3C
MP-ID
mp-1105665
Elements
3
Sites
18
Density
7.6214
g/cm³
Volume
396.00
ų
Cell a
8.4643
Å
Cell b
8.4643
Å
Cell c
6.3824
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mcm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 12.07 | 7.3303 | 4.1 | (1,0,-1,0) |
| 20.99 | 4.2322 | 23.2 | (2,-1,-1,0) |
| 24.28 | 3.6652 | 24.3 | (2,0,-2,0) |
| 25.25 | 3.5272 | 32.7 | (2,-1,-1,1) |
| 27.96 | 3.1912 | 5.7 | (0,0,0,2) |
| 30.55 | 2.9260 | 56.4 | (1,0,-1,2) |
| 32.31 | 2.7706 | 53.5 | (3,-1,-2,0) |
| 35.22 | 2.5480 | 24.1 | (2,-1,-1,2) |
| 35.22 | 2.5480 | 48.3 | (1,1,-2,2) |
| 35.32 | 2.5415 | 100.0 | (3,-1,-2,1) |
| 36.78 | 2.4434 | 21.2 | (3,0,-3,0) |
| 42.73 | 2.1161 | 2.4 | (4,-2,-2,0) |
| 43.24 | 2.0921 | 1.3 | (3,-1,-2,2) |
| 44.57 | 2.0331 | 2.1 | (4,-1,-3,0) |
| 45.14 | 2.0086 | 8.9 | (4,-2,-2,1) |
| 46.83 | 1.9401 | 11.9 | (3,0,-3,2) |
| 47.85 | 1.9008 | 6.1 | (2,-1,-1,3) |
| 49.75 | 1.8326 | 4.0 | (4,0,-4,0) |
| 51.84 | 1.7636 | 28.1 | (4,-2,-2,2) |
| 53.44 | 1.7147 | 7.5 | (4,-1,-3,2) |
| 54.37 | 1.6874 | 29.0 | (3,-1,-2,3) |
| 54.57 | 1.6817 | 4.6 | (5,-2,-3,0) |
| 56.60 | 1.6262 | 6.5 | (5,-2,-3,1) |
| 57.63 | 1.5996 | 27.5 | (5,-1,-4,0) |
Energy Properties
Formation Energy/atom
-0.74650
eV/atom
Energy/atom
-22.54401
eV/atom
Energy above Hull
0.0205
eV/atom
Uncorrected Energy
-5.9979
eV/atom
Volume/atom
22.00
ų
c/a Ratio
0.7540
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0979
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000250
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.556
Element Family
N/A
Solute Fraction
0.444
Interstitial Fraction
0.444
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.549
Family
Interstitial Alloy
Matrix Element
Dy · 0.556
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1105665
Reference Citation
The crystal structure and related material properties of Dy5Si3C were obtained from the Materials Project database (MP-ID: mp-1105665, 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_Dy5Si3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.46429000
_cell_length_b 8.46428986
_cell_length_c 6.38243000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000056
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy5Si3C
_chemical_formula_sum 'Dy10 Si6 C2'
_cell_volume 396.00233925
_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 0.66666700 0.33333300 0.00000000 1.0
Dy Dy1 1 0.33333300 0.66666700 0.00000000 1.0
Dy Dy2 1 0.33333300 0.66666700 0.50000000 1.0
Dy Dy3 1 0.66666700 0.33333300 0.50000000 1.0
Dy Dy4 1 0.77600300 0.77600300 0.75000000 1.0
Dy Dy5 1 0.22399700 0.00000000 0.75000000 1.0
Dy Dy6 1 0.00000000 0.22399700 0.75000000 1.0
Dy Dy7 1 0.22399700 0.22399700 0.25000000 1.0
Dy Dy8 1 0.77600300 0.00000000 0.25000000 1.0
Dy Dy9 1 0.00000000 0.77600300 0.25000000 1.0
Si Si10 1 0.40716700 0.40716700 0.75000000 1.0
Si Si11 1 0.59283300 0.00000000 0.75000000 1.0
Si Si12 1 0.00000000 0.59283300 0.75000000 1.0
Si Si13 1 0.59283300 0.59283300 0.25000000 1.0
Si Si14 1 0.40716700 0.00000000 0.25000000 1.0
Si Si15 1 0.00000000 0.40716700 0.25000000 1.0
C C16 1 0.00000000 0.00000000 0.00000000 1.0
C C17 1 0.00000000 0.00000000 0.50000000 1.0
