Basic Information
Formula
Dy2Cr2C3
MP-ID
mp-1025323
Elements
3
Sites
7
Density
8.2518
g/cm³
Volume
93.58
ų
Cell a
3.3779
Å
Cell b
5.4678
Å
Cell c
5.5289
Å
α Angle
104.75
°
β Angle
90.00
°
γ Angle
107.99
°
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 |
|---|---|---|---|
| 16.64 | 5.3271 | 1.4 | (0,0,1) |
| 17.70 | 5.0106 | 1.2 | (0,1,0) |
| 20.83 | 4.2636 | 27.0 | (0,1,-1) |
| 27.51 | 3.2422 | 42.1 | (0,1,1) |
| 27.87 | 3.2010 | 40.5 | (1,-1,0) |
| 31.35 | 2.8536 | 2.9 | (1,-1,1) |
| 33.61 | 2.6663 | 47.4 | (0,1,-2) |
| 33.65 | 2.6635 | 15.5 | (0,0,2) |
| 33.88 | 2.6457 | 100.0 | (1,-1,-1) |
| 35.27 | 2.5446 | 24.1 | (0,2,-1) |
| 35.84 | 2.5053 | 33.9 | (0,2,0) |
| 37.88 | 2.3752 | 1.1 | (1,-2,0) |
| 38.45 | 2.3414 | 87.5 | (1,-2,1) |
| 42.24 | 2.1393 | 25.6 | (1,0,-2) |
| 42.40 | 2.1318 | 3.7 | (0,2,-2) |
| 42.49 | 2.1276 | 16.5 | (0,1,2) |
| 43.86 | 2.0642 | 3.2 | (0,2,1) |
| 44.63 | 2.0303 | 5.2 | (1,-2,-1) |
| 44.63 | 2.0303 | 5.2 | (1,1,1) |
| 46.11 | 1.9686 | 2.4 | (1,-2,2) |
| 46.16 | 1.9664 | 2.4 | (1,-1,-2) |
| 46.16 | 1.9664 | 2.4 | (1,0,2) |
| 51.46 | 1.7757 | 7.0 | (0,0,3) |
| 53.14 | 1.7237 | 21.5 | (1,-3,0) |
Energy Properties
Formation Energy/atom
-0.30050
eV/atom
Energy/atom
-8.33419
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.0625
eV/atom
Volume/atom
13.37
ų
c/a Ratio
1.6368
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.3681
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.014620
μB/ų
Elastic Properties
KVRH
160.099
GPa
GVRH
68.541
GPa
Young's Modulus E
179.944
GPa
Poisson Ratio ν
0.313
Pugh Ratio K/G
2.336
Vickers Hardness Est.
5.790
GPa
Ductility
Brittle
Anisotropy
0.837
Lame λ
114.405
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.429
Element Family
Metalloid-Nonmetal
Solute Fraction
0.571
Interstitial Fraction
0.429
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.8370
Homogeneous Poisson ν
0.3130
Debye Temperature
603.3
K
Sound Velocity
3,224.4
m/s
Homogeneity
0.3130
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025323
Reference Citation
The crystal structure and related material properties of Dy2Cr2C3 were obtained from the Materials Project database (MP-ID: mp-1025323, 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_Dy2Cr2C3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37791228
_cell_length_b 5.46782655
_cell_length_c 5.52887046
_cell_angle_alpha 104.75154970
_cell_angle_beta 90.00000000
_cell_angle_gamma 107.99234625
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy2Cr2C3
_chemical_formula_sum 'Dy2 Cr2 C3'
_cell_volume 93.57824873
_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 0.39495433 0.78990866 0.68354455 1.0
Dy Dy1 1 0.60504567 0.21009134 0.31645545 1.0
Cr Cr2 1 0.15636812 0.31273623 0.88807486 1.0
Cr Cr3 1 0.84363188 0.68726377 0.11192514 1.0
C C4 1 0.71323529 0.42647158 0.77145601 1.0
C C5 1 0.28676471 0.57352842 0.22854399 1.0
C C6 1 -0.00000000 -0.00000000 -0.00000000 1.0
