Basic Information
Formula
Dy2Mo2C3
MP-ID
mp-1025363
Elements
3
Sites
7
Density
8.8906
g/cm³
Volume
103.27
ų
Cell a
3.3364
Å
Cell b
5.7122
Å
Cell c
6.1014
Å
α Angle
111.68
°
β Angle
105.87
°
γ Angle
90.00
°
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 |
|---|---|---|---|
| 16.36 | 5.4188 | 3.0 | (0,0,1) |
| 16.81 | 5.2741 | 10.6 | (0,1,0) |
| 18.43 | 4.8152 | 3.6 | (0,1,-1) |
| 27.77 | 3.2127 | 32.7 | (0,1,1) |
| 27.98 | 3.1887 | 13.2 | (1,0,-1) |
| 27.98 | 3.1886 | 13.1 | (1,0,0) |
| 30.77 | 2.9059 | 56.0 | (0,1,-2) |
| 31.09 | 2.8765 | 15.9 | (1,-1,0) |
| 31.09 | 2.8764 | 15.9 | (1,1,-1) |
| 31.52 | 2.8386 | 77.5 | (0,2,-1) |
| 33.06 | 2.7094 | 86.4 | (0,0,2) |
| 34.00 | 2.6370 | 50.6 | (0,2,0) |
| 34.47 | 2.6017 | 100.0 | (1,-1,-1) |
| 34.47 | 2.6016 | 100.0 | (1,1,0) |
| 36.16 | 2.4838 | 93.7 | (1,1,-2) |
| 36.16 | 2.4838 | 93.7 | (1,-1,1) |
| 37.35 | 2.4076 | 28.1 | (0,2,-2) |
| 41.92 | 2.1553 | 4.8 | (1,-2,0) |
| 41.92 | 2.1552 | 4.9 | (1,2,-1) |
| 42.99 | 2.1038 | 7.3 | (0,1,2) |
| 43.36 | 2.0868 | 12.3 | (1,-2,1) |
| 43.36 | 2.0868 | 12.3 | (1,2,-2) |
| 43.56 | 2.0779 | 46.9 | (0,2,1) |
| 44.64 | 2.0298 | 4.4 | (1,-1,-2) |
Energy Properties
Formation Energy/atom
-0.47046
eV/atom
Energy/atom
-21.32036
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.3204
eV/atom
Volume/atom
14.75
ų
c/a Ratio
1.8288
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
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.429
Element Family
N/A
Solute Fraction
0.571
Interstitial Fraction
0.429
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
C-rich Multi-Component
Matrix Element
C · 0.429
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025363
Reference Citation
The crystal structure and related material properties of Dy2Mo2C3 were obtained from the Materials Project database (MP-ID: mp-1025363, 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_Dy2Mo2C3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33635897
_cell_length_b 5.71214834
_cell_length_c 6.10143434
_cell_angle_alpha 111.67992328
_cell_angle_beta 105.86915097
_cell_angle_gamma 90.00239631
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy2Mo2C3
_chemical_formula_sum 'Dy2 Mo2 C3'
_cell_volume 103.26988782
_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 0.39006469 0.17662858 0.78015956 1.0
Dy Dy1 1 0.60994494 0.82339149 0.21986019 1.0
Mo Mo2 1 0.15712936 0.32552796 0.31427829 1.0
Mo Mo3 1 0.84285815 0.67444261 0.68569654 1.0
C C4 1 0.24889722 0.73296821 0.49822016 1.0
C C5 1 0.75109260 0.26701873 0.50175837 1.0
C C6 1 0.00001305 0.00002342 0.00002690 1.0
