CeDy3
Traditional Materials TRAMP-ID: mp-984779 · Space group: I4/mmm (#139)
Basic Information
Formula
CeDy3
MP-ID
mp-984779
Elements
2
Sites
4
Density
8.3677
g/cm³
Volume
124.55
ų
Cell a
6.1120
Å
Cell b
6.1120
Å
Cell c
6.1120
Å
α Angle
131.74
°
β Angle
131.74
°
γ Angle
70.65
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 31.02 | 2.8833 | 100.0 | (2,0,-1) |
| 35.94 | 2.4988 | 33.8 | (1,-1,1) |
| 36.02 | 2.4934 | 16.8 | (2,2,-2) |
| 51.74 | 1.7669 | 12.0 | (2,-2,0) |
| 51.80 | 1.7650 | 23.9 | (3,1,-3) |
| 61.56 | 1.5065 | 28.4 | (3,-1,-2) |
| 61.66 | 1.5042 | 14.1 | (3,3,-4) |
| 64.65 | 1.4416 | 12.2 | (4,0,-2) |
| 76.20 | 1.2494 | 3.8 | (2,-2,2) |
| 76.39 | 1.2467 | 1.9 | (4,4,-4) |
| 84.52 | 1.1464 | 5.9 | (4,-2,-1) |
| 84.61 | 1.1454 | 11.8 | (5,1,-4) |
| 87.24 | 1.1175 | 5.6 | (3,-3,1) |
| 87.29 | 1.1170 | 5.5 | (4,0,-4) |
| 87.43 | 1.1156 | 5.5 | (5,3,-5) |
Energy Properties
Formation Energy/atom
0.08277
eV/atom
Energy/atom
-31.61374
eV/atom
Energy above Hull
0.0828
eV/atom
Uncorrected Energy
-4.8556
eV/atom
Volume/atom
31.14
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.8318
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.006680
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.666
Family
Binary Alloy
Matrix Element
Dy · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-984779
Reference Citation
The crystal structure and related material properties of CeDy3 were obtained from the Materials Project database (MP-ID: mp-984779, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_CeDy3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11194955
_cell_length_b 6.11194955
_cell_length_c 6.11194955
_cell_angle_alpha 131.73663270
_cell_angle_beta 131.73663270
_cell_angle_gamma 70.64530631
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeDy3
_chemical_formula_sum 'Ce1 Dy3'
_cell_volume 124.54822689
_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
Ce Ce0 1 0.00000000 0.00000000 0.00000000 1.0
Dy Dy1 1 0.75000000 0.25000000 0.50000000 1.0
Dy Dy2 1 0.25000000 0.75000000 0.50000000 1.0
Dy Dy3 1 0.50000000 0.50000000 0.00000000 1.0
