Basic Information
Formula
Dy5Ge3C
MP-ID
mp-1106133
Elements
3
Sites
18
Density
8.6308
g/cm³
Volume
401.12
ų
Cell a
6.4739
Å
Cell b
8.4547
Å
Cell c
8.4602
Å
α Angle
119.98
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P6_3/mcm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 |
|---|---|---|---|
| 12.08 | 7.3236 | 1.0 | (0,1,-1,0) |
| 12.09 | 7.3236 | 1.0 | (0,1,-1,-1) |
| 21.00 | 4.2301 | 14.4 | (0,1,-1,1) |
| 21.00 | 4.2301 | 14.4 | (0,1,-1,-2) |
| 21.02 | 4.2274 | 14.5 | (0,2,-2,-1) |
| 24.29 | 3.6642 | 10.1 | (0,0,0,2) |
| 24.31 | 3.6618 | 10.3 | (0,2,-2,0) |
| 24.31 | 3.6618 | 10.3 | (0,2,-2,-2) |
| 25.15 | 3.5412 | 4.8 | (1,1,-2,1) |
| 25.15 | 3.5412 | 4.8 | (1,-1,0,-1) |
| 25.15 | 3.5412 | 4.8 | (1,-1,0,2) |
| 25.15 | 3.5412 | 4.8 | (1,1,-2,-2) |
| 25.16 | 3.5396 | 9.6 | (1,2,-3,-1) |
| 27.56 | 3.2370 | 49.0 | (2,0,-2,0) |
| 30.18 | 2.9610 | 27.6 | (2,0,-2,1) |
| 30.18 | 2.9610 | 27.6 | (2,0,-2,-1) |
| 30.19 | 2.9607 | 27.4 | (2,1,-3,0) |
| 30.19 | 2.9607 | 27.4 | (2,-1,-1,0) |
| 30.19 | 2.9607 | 54.7 | (2,-1,-1,1) |
| 32.32 | 2.7696 | 32.5 | (0,1,-1,2) |
| 32.32 | 2.7696 | 32.5 | (0,1,-1,-3) |
| 32.33 | 2.7689 | 31.8 | (0,2,-2,1) |
| 32.33 | 2.7688 | 31.8 | (0,2,-2,-3) |
| 32.35 | 2.7676 | 32.3 | (0,3,-3,-1) |
Energy Properties
Formation Energy/atom
-0.86876
eV/atom
Energy/atom
-24.36566
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.3657
eV/atom
Volume/atom
22.28
ų
c/a Ratio
1.3068
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.5274
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001310
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
0.111
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.563
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-1106133
Reference Citation
The crystal structure and related material properties of Dy5Ge3C were obtained from the Materials Project database (MP-ID: mp-1106133, 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_Dy5Ge3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.47391855
_cell_length_b 8.45471553
_cell_length_c 8.46019491
_cell_angle_alpha 119.97789987
_cell_angle_beta 89.99999105
_cell_angle_gamma 89.99999185
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy5Ge3C
_chemical_formula_sum 'Dy10 Ge6 C2'
_cell_volume 401.11961868
_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 0.50000872 0.33313374 0.66619171 1.0
Dy Dy1 1 0.50000854 0.66693487 0.33380921 1.0
Dy Dy2 1 0.00000839 0.66686641 0.33380835 1.0
Dy Dy3 1 0.00000828 0.33306497 0.66619102 1.0
Dy Dy4 1 0.75010279 0.22029993 0.00000139 1.0
Dy Dy5 1 0.74993919 0.77946560 0.77946926 1.0
Dy Dy6 1 0.74993912 -0.00000621 0.22052772 1.0
Dy Dy7 1 0.25010228 0.77970114 0.00000097 1.0
Dy Dy8 1 0.24993866 0.22053587 0.22052936 1.0
Dy Dy9 1 0.24993877 0.00000359 0.77947100 1.0
Ge Ge10 1 0.74962217 0.59051071 0.00000097 1.0
Ge Ge11 1 0.75019623 0.40889034 0.40888579 1.0
Ge Ge12 1 0.75019488 0.00000622 0.59110990 1.0
Ge Ge13 1 0.24962256 0.40948917 -0.00000153 1.0
Ge Ge14 1 0.25019677 0.59110936 0.59111473 1.0
Ge Ge15 1 0.25019533 -0.00000567 0.40889014 1.0
C C16 1 0.49998745 0.00008730 0.00000026 1.0
C C17 1 0.99998789 0.99991267 0.99999975 1.0
