DySb2
Traditional Materials TRAMP-ID: mp-1018158 · Space group: C222 (#21)
Basic Information
Formula
DySb2
MP-ID
mp-1018158
Elements
2
Sites
3
Density
7.9038
g/cm³
Volume
85.30
ų
Cell a
3.6317
Å
Cell b
3.6317
Å
Cell c
7.5464
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
121.01
°
Space Group
C222
Point Group
222
Crystal System
Orthorhombic
Bravais Lattice
oC
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 11.73 | 7.5464 | 7.6 | (0,0,0,1) |
| 28.23 | 3.1611 | 3.1 | (1,-1,0,0) |
| 28.68 | 3.1125 | 21.9 | (1,0,-1,0) |
| 30.66 | 2.9157 | 52.8 | (1,-1,0,1) |
| 31.08 | 2.8774 | 100.0 | (1,0,-1,1) |
| 35.69 | 2.5155 | 38.3 | (0,0,0,3) |
| 37.10 | 2.4231 | 39.0 | (1,-1,0,2) |
| 37.46 | 2.4010 | 54.1 | (1,0,-1,2) |
| 46.12 | 1.9683 | 1.4 | (1,-1,0,3) |
| 46.41 | 1.9564 | 12.3 | (1,0,-1,3) |
| 50.25 | 1.8156 | 4.7 | (2,-1,-1,0) |
| 51.79 | 1.7652 | 23.6 | (2,-1,-1,1) |
| 52.61 | 1.7398 | 11.6 | (1,1,-2,1) |
| 56.23 | 1.6360 | 16.5 | (2,-1,-1,2) |
| 56.83 | 1.6200 | 7.1 | (1,-1,0,4) |
| 57.00 | 1.6157 | 11.2 | (1,1,-2,2) |
| 57.09 | 1.6134 | 19.0 | (1,0,-1,4) |
| 58.39 | 1.5806 | 9.2 | (2,-2,0,0) |
| 59.39 | 1.5563 | 17.5 | (2,0,-2,0) |
| 63.16 | 1.4722 | 4.9 | (2,-1,-1,3) |
| 68.95 | 1.3620 | 7.4 | (1,-1,0,5) |
| 69.18 | 1.3580 | 7.7 | (1,0,-1,5) |
| 70.35 | 1.3383 | 10.4 | (2,-2,0,3) |
| 71.25 | 1.3235 | 20.0 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
-0.32557
eV/atom
Energy/atom
-4.61770
eV/atom
Energy above Hull
0.5442
eV/atom
Uncorrected Energy
-4.4897
eV/atom
Volume/atom
28.43
ų
c/a Ratio
2.0779
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0013
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sb · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.423
Family
Binary Alloy
Matrix Element
Sb · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018158
Reference Citation
The crystal structure and related material properties of DySb2 were obtained from the Materials Project database (MP-ID: mp-1018158, 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_DySb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63172348
_cell_length_b 3.63172348
_cell_length_c 7.54637000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 121.01472556
_symmetry_Int_Tables_number 1
_chemical_formula_structural DySb2
_chemical_formula_sum 'Dy1 Sb2'
_cell_volume 85.30257692
_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 0.00000000 0.67432600 1.0
Sb Sb2 1 0.00000000 0.50000000 0.32567400 1.0
