Basic Information
Formula
DySb
MP-ID
mp-1007
Elements
2
Sites
2
Density
7.9589
g/cm³
Volume
59.31
ų
Cell a
4.3773
Å
Cell b
4.3773
Å
Cell c
4.3773
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 |
|---|---|---|---|
| 24.91 | 3.5741 | 2.7 | (1,0,0) |
| 24.91 | 3.5741 | 2.7 | (0,1,0) |
| 28.84 | 3.0952 | 50.0 | (1,1,0) |
| 28.84 | 3.0952 | 100.0 | (1,0,1) |
| 41.25 | 2.1887 | 19.0 | (2,1,1) |
| 41.25 | 2.1887 | 57.1 | (1,0,-1) |
| 41.25 | 2.1887 | 38.1 | (1,-1,0) |
| 48.79 | 1.8665 | 1.2 | (2,2,1) |
| 48.79 | 1.8665 | 1.2 | (1,2,0) |
| 51.11 | 1.7870 | 20.4 | (2,0,0) |
| 51.11 | 1.7870 | 10.2 | (0,0,2) |
| 51.11 | 1.7870 | 10.2 | (0,2,0) |
| 59.75 | 1.5476 | 6.3 | (2,2,0) |
| 59.75 | 1.5476 | 12.7 | (2,0,2) |
| 67.69 | 1.3842 | 4.4 | (3,2,1) |
| 67.69 | 1.3842 | 8.7 | (2,1,-1) |
| 67.69 | 1.3842 | 17.4 | (1,-1,-2) |
| 67.69 | 1.3842 | 21.8 | (2,-1,1) |
| 75.19 | 1.2636 | 3.2 | (3,1,0) |
| 75.19 | 1.2636 | 9.7 | (3,3,2) |
| 75.19 | 1.2636 | 12.9 | (2,-1,-1) |
| 75.19 | 1.2636 | 6.4 | (1,3,0) |
| 75.19 | 1.2636 | 6.4 | (0,3,1) |
| 89.57 | 1.0943 | 2.2 | (4,2,2) |
Energy Properties
Formation Energy/atom
-1.21456
eV/atom
Energy/atom
-5.58825
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.2106
eV/atom
Volume/atom
29.65
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
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
60.478
GPa
GVRH
34.856
GPa
Young's Modulus E
87.716
GPa
Poisson Ratio ν
0.258
Pugh Ratio K/G
1.735
Vickers Hardness Est.
5.380
GPa
Ductility
Ductile
Anisotropy
1.532
Lame λ
37.241
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.5320
Homogeneous Poisson ν
0.2580
Debye Temperature
296.7
K
Sound Velocity
2,325.6
m/s
Homogeneity
0.2580
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1007
Reference Citation
The crystal structure and related material properties of DySb were obtained from the Materials Project database (MP-ID: mp-1007, 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_DySb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37732699
_cell_length_b 4.37732573
_cell_length_c 4.37732595
_cell_angle_alpha 59.99999039
_cell_angle_beta 59.99999996
_cell_angle_gamma 59.99998595
_symmetry_Int_Tables_number 1
_chemical_formula_structural DySb
_chemical_formula_sum 'Dy1 Sb1'
_cell_volume 59.30777980
_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 -0.00000000 -0.00000000 0.00000000 1.0
Sb Sb1 1 0.50000000 0.50000000 0.50000000 1.0
