DySb3
Traditional Materials TRAMP-ID: mp-1183836 · Space group: P6_3/mmc (#194)
Basic Information
Formula
DySb3
MP-ID
mp-1183836
Elements
2
Sites
8
Density
8.0189
g/cm³
Volume
218.58
ų
Cell a
6.5389
Å
Cell b
6.5389
Å
Cell c
5.9032
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
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 |
|---|---|---|---|
| 15.65 | 5.6628 | 4.0 | (1,0,-1,0) |
| 21.75 | 4.0865 | 1.1 | (1,0,-1,1) |
| 27.28 | 3.2694 | 1.2 | (2,-1,-1,0) |
| 30.28 | 2.9516 | 50.3 | (0,0,0,2) |
| 31.60 | 2.8314 | 33.3 | (2,0,-2,0) |
| 34.26 | 2.6174 | 1.2 | (1,0,-1,2) |
| 35.15 | 2.5529 | 100.0 | (2,0,-2,1) |
| 35.15 | 2.5529 | 50.0 | (2,-2,0,1) |
| 44.33 | 2.0433 | 17.4 | (2,0,-2,2) |
| 44.33 | 2.0433 | 8.7 | (2,-2,0,2) |
| 45.06 | 2.0122 | 2.5 | (3,-1,-2,1) |
| 56.28 | 1.6347 | 24.9 | (4,-2,-2,0) |
| 56.99 | 1.6158 | 24.5 | (2,0,-2,3) |
| 56.99 | 1.6158 | 12.2 | (2,-2,0,3) |
| 62.98 | 1.4758 | 6.1 | (0,0,0,4) |
| 65.24 | 1.4300 | 10.6 | (2,2,-4,2) |
| 65.24 | 1.4300 | 21.1 | (4,-2,-2,2) |
| 65.99 | 1.4157 | 2.5 | (4,0,-4,0) |
| 65.99 | 1.4157 | 1.3 | (4,-4,0,0) |
| 68.11 | 1.3767 | 13.8 | (4,0,-4,1) |
| 68.11 | 1.3767 | 6.9 | (4,-4,0,1) |
| 72.18 | 1.3087 | 6.0 | (2,0,-2,4) |
| 74.31 | 1.2765 | 5.3 | (4,0,-4,2) |
| 84.26 | 1.1492 | 11.7 | (4,0,-4,3) |
Energy Properties
Formation Energy/atom
-0.53918
eV/atom
Energy/atom
-4.79052
eV/atom
Energy above Hull
0.1357
eV/atom
Uncorrected Energy
-4.6465
eV/atom
Volume/atom
27.32
ų
c/a Ratio
0.9028
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sb · 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
0.551
Family
Binary Alloy
Matrix Element
Sb · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183836
Reference Citation
The crystal structure and related material properties of DySb3 were obtained from the Materials Project database (MP-ID: mp-1183836, 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_DySb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53885341
_cell_length_b 6.53885341
_cell_length_c 5.90314700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999408
_symmetry_Int_Tables_number 1
_chemical_formula_structural DySb3
_chemical_formula_sum 'Dy2 Sb6'
_cell_volume 218.58354196
_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 0.33333300 0.66666700 0.75000000 1.0
Dy Dy1 1 0.66666700 0.33333300 0.25000000 1.0
Sb Sb2 1 0.17412800 0.34825500 0.25000000 1.0
Sb Sb3 1 0.65174500 0.82587200 0.25000000 1.0
Sb Sb4 1 0.17412800 0.82587200 0.25000000 1.0
Sb Sb5 1 0.82587200 0.65174500 0.75000000 1.0
Sb Sb6 1 0.34825500 0.17412800 0.75000000 1.0
Sb Sb7 1 0.82587200 0.17412800 0.75000000 1.0
